#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4x s GLU 3 N 0.00 0.45 -0.10 1.96 2.12 0.62 -1.67 118.70 122.08 3k4x s GLU 3 Ca 0.00 0.37 0.00 0.00 0.36 0.00 0.00 54.97 55.71 3k4x s GLU 3 Cb 0.00 -0.12 0.02 0.00 0.26 0.00 0.00 34.13 34.29 3k4x s GLU 3 CO 0.00 -0.94 -0.08 0.00 -0.54 0.00 0.00 175.26 173.70 3k4x s ALA 4 N 2.64 1.29 -0.11 6.30 0.00 -0.45 -1.29 121.76 130.14 3k4x s ALA 4 Ca 0.11 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.59 3k4x s ALA 4 Cb -0.13 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 3k4x s ALA 4 CO -0.26 -0.31 -0.18 -1.59 0.00 0.00 0.00 175.76 173.42 3k4x s LYS 5 N 1.50 3.20 0.12 0.00 -2.85 -0.45 0.03 119.74 121.29 3k4x s LYS 5 Ca 0.01 -0.77 -0.24 0.00 -1.00 0.00 0.00 55.97 53.97 3k4x s LYS 5 Cb -0.13 -2.48 -0.07 0.00 -2.06 0.00 0.00 37.83 33.09 3k4x s LYS 5 CO -0.06 0.22 0.72 -0.06 0.10 0.00 0.00 175.35 176.27 3k4x s PHE 6 N 0.29 3.85 0.22 1.78 0.08 0.16 -1.14 117.98 123.23 3k4x s PHE 6 Ca -0.13 1.51 -0.09 0.00 0.12 0.00 0.00 56.93 58.34 3k4x s PHE 6 Cb -0.17 -2.71 0.20 0.00 -0.57 0.00 0.00 43.02 39.77 3k4x s PHE 6 CO 0.07 0.48 1.90 1.49 -0.10 0.00 0.00 175.22 179.06 3k4x h GLU 7 N 4.66 1.10 -5.03 0.44 4.81 -1.87 -3.07 114.58 115.62 3k4x h GLU 7 Ca -0.47 -0.07 -0.67 0.00 -0.13 0.00 0.00 59.36 58.03 3k4x h GLU 7 Cb 1.21 -0.25 -0.35 0.00 0.63 0.00 0.00 28.75 29.99 3k4x h GLU 7 CO 0.66 0.73 -0.84 -1.21 -0.73 0.00 0.00 179.01 177.62 3k4x s GLU 8 N -6.13 2.94 0.55 1.92 0.41 -1.26 -4.31 118.70 112.81 3k4x s GLU 8 Ca -0.13 -0.87 0.22 0.00 -0.41 0.00 0.00 54.97 53.77 3k4x s GLU 8 Cb 0.16 -2.65 1.47 0.00 -1.78 0.00 0.00 34.13 31.33 3k4x s GLU 8 CO 0.79 -0.25 2.17 0.00 -0.49 0.00 0.00 175.26 177.48 3k4x h ALA 9 N 7.94 1.87 -0.89 5.21 0.00 -1.35 -1.73 119.26 130.31 3k4x h ALA 9 Ca -0.42 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 54.63 3k4x h ALA 9 Cb 1.13 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 3k4x h ALA 9 CO 0.62 -0.06 0.57 0.66 0.00 0.00 0.00 179.25 181.04 3k4x h SER 10 N 0.00 0.66 -0.20 0.00 4.64 -1.79 -2.48 113.55 114.38 3k4x h SER 10 Ca 0.02 0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.42 3k4x h SER 10 Cb 0.09 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 3k4x h SER 10 CO -0.00 0.34 -0.02 0.25 -0.87 0.00 0.00 176.83 176.53 3k4x h LEU 11 N 0.70 -0.11 -1.05 5.97 5.85 -1.63 0.23 115.31 125.27 3k4x h LEU 11 Ca 0.44 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 59.12 3k4x h LEU 11 Cb 0.70 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 3k4x h LEU 11 CO -0.20 -0.03 -0.38 0.15 -0.34 0.00 0.00 178.44 177.63 3k4x h PHE 12 N 0.04 0.20 -0.31 1.25 3.57 -1.60 -1.25 116.94 118.83 3k4x h PHE 12 Ca 0.09 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 3k4x h PHE 12 Cb 0.13 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3k4x h PHE 12 CO -0.19 0.54 -0.10 -0.22 -2.23 0.00 0.00 178.31 176.11 3k4x h LYS 13 N 0.15 0.62 -0.31 1.11 3.64 -1.12 -2.22 116.57 118.45 3k4x h LYS 13 Ca 0.02 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.14 3k4x h LYS 13 Cb 0.75 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 3k4x h LYS 13 CO 0.06 0.82 0.18 0.00 -2.27 0.00 0.00 179.45 178.24 3k4x h ARG 14 N 0.39 0.41 0.14 1.90 3.08 -0.11 -1.37 114.38 118.83 3k4x h ARG 14 Ca 0.08 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3k4x h ARG 14 Cb 0.61 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3k4x h ARG 14 CO 0.04 0.29 -0.07 0.82 -1.07 0.00 0.00 179.97 179.98 3k4x h ILE 15 N 0.42 0.97 -0.85 2.04 2.04 -1.08 -3.13 117.51 117.93 3k4x h ILE 15 Ca 0.11 -1.13 0.04 0.00 1.00 0.00 0.00 64.86 64.88 3k4x h ILE 15 Cb -0.01 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 3k4x h ILE 15 CO -0.02 0.24 0.54 0.40 0.00 0.00 0.00 178.15 179.31 3k4x h ILE 16 N -0.79 1.12 0.00 -0.67 5.03 -1.27 -2.04 117.51 118.90 3k4x h ILE 16 Ca -0.02 -0.36 -0.01 0.00 -0.12 0.00 0.00 64.86 64.35 3k4x h ILE 16 Cb 0.54 -0.02 -0.00 0.00 -3.03 0.00 0.00 36.82 34.31 3k4x h ILE 16 CO 0.03 0.19 -0.03 0.44 -0.68 0.00 0.00 178.15 178.11 3k4x h ASP 17 N 1.05 0.00 -0.91 1.72 3.32 -1.33 -1.51 116.42 118.77 3k4x h ASP 17 Ca 0.34 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.41 3k4x h ASP 17 Cb 0.03 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 3k4x h ASP 17 CO -0.12 0.03 0.60 1.23 -1.72 0.00 0.00 179.24 179.25 3k4x h GLY 18 N 0.10 1.29 -0.21 2.75 0.00 -1.30 -3.28 103.07 102.42 3k4x h GLY 18 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3k4x h GLY 18 CO 0.00 0.44 -0.11 1.97 0.00 0.00 0.00 176.54 178.85 3k4x n PHE 19 N -4.47 0.00 0.53 5.60 -1.74 -1.08 -3.77 117.46 112.53 3k4x n PHE 19 Ca 0.10 -0.60 0.13 0.00 -0.56 0.00 0.00 57.45 56.52 3k4x n PHE 19 Cb 0.03 -0.10 0.42 0.00 1.52 0.00 0.00 39.48 41.36 3k4x n PHE 19 CO 0.00 0.00 0.00 1.57 -0.56 0.00 0.00 176.76 177.77 3k4x h LYS 20 N 0.00 0.00 0.00 3.97 2.10 -1.34 -3.24 116.57 118.06 3k4x h LYS 20 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3k4x h LYS 20 Cb 0.98 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.31 3k4x h LYS 20 CO 0.00 0.00 -1.01 -0.25 -2.00 0.00 0.00 179.45 176.19 3k4x n ASP 21 N -2.35 0.65 -0.12 7.07 8.00 -1.26 -4.20 116.55 124.35 3k4x n ASP 21 Ca 0.04 0.04 0.06 0.00 0.71 0.00 0.00 54.79 55.64 3k4x n ASP 21 Cb 0.38 0.64 -0.04 0.00 -0.02 0.00 0.00 41.12 42.09 3k4x n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k4x s VAL 23 N -1.82 0.42 -0.08 0.00 -7.23 -1.23 -4.01 120.40 106.45 3k4x s VAL 23 Ca 0.07 -0.10 0.02 0.00 -1.81 0.00 0.00 61.98 60.17 3k4x s VAL 23 Cb 0.09 -0.44 -0.25 0.00 0.56 0.00 0.00 36.38 36.34 3k4x s VAL 23 CO 0.39 0.18 0.52 0.00 -0.31 0.00 0.00 175.10 175.88 3k4x n GLN 24 N 3.80 0.70 -4.00 4.82 10.64 -1.26 -4.74 117.38 127.34 3k4x n GLN 24 Ca -0.23 0.28 -0.19 0.00 -1.83 0.00 0.00 57.00 55.04 3k4x n GLN 24 Cb 0.52 -1.75 -0.16 0.00 -0.86 0.00 0.00 30.24 27.99 3k4x n GLN 24 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3k4x s LEU 25 N -6.59 1.17 0.05 2.61 1.43 -1.26 -3.05 118.68 113.03 3k4x s LEU 25 Ca -0.14 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 3k4x s LEU 25 Cb 0.07 -0.32 -0.04 0.00 0.03 0.00 0.00 46.19 45.94 3k4x s LEU 25 CO 0.80 -0.09 -0.03 0.68 0.23 0.00 0.00 176.35 177.93 3k4x s VAL 26 N 1.06 0.24 -0.13 -1.59 -7.23 -1.20 -4.89 120.40 106.66 3k4x s VAL 26 Ca -0.09 -1.67 -0.03 0.00 -1.81 0.00 0.00 61.98 58.38 3k4x s VAL 26 Cb -0.14 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 3k4x s VAL 26 CO -0.01 -0.90 -0.03 0.20 -0.31 0.00 0.00 175.10 174.04 3k4x s ASN 27 N -2.68 4.88 -0.47 4.85 -0.87 -1.26 -2.33 114.94 117.06 3k4x s ASN 27 Ca 0.03 -0.06 -0.13 0.00 -1.57 0.00 0.00 52.86 51.13 3k4x s ASN 27 Cb 0.05 -1.66 0.09 0.00 -0.02 0.00 0.00 41.25 39.71 3k4x s ASN 27 CO -0.08 0.23 0.37 -0.36 -2.57 0.00 0.00 177.10 174.69 3k4x s PHE 28 N 0.01 3.29 -0.43 2.20 0.08 0.58 -3.81 117.98 119.90 3k4x s PHE 28 Ca 0.01 -1.25 -0.23 0.00 0.12 0.00 0.00 56.93 55.58 3k4x s PHE 28 Cb -0.13 -3.26 0.02 0.00 -0.57 0.00 0.00 43.02 39.08 3k4x s PHE 28 CO 0.03 -0.87 0.78 -0.65 -0.10 0.00 0.00 175.22 174.41 3k4x s GLN 29 N 1.55 3.47 -0.06 0.44 -0.21 0.06 0.43 119.66 125.33 3k4x s GLN 29 Ca 0.04 -0.03 -0.14 0.00 0.02 0.00 0.00 55.36 55.25 3k4x s GLN 29 Cb -0.25 -3.92 -0.05 0.00 1.00 0.00 0.00 33.01 29.79 3k4x s GLN 29 CO 0.04 -1.07 0.36 0.00 -2.12 0.00 0.00 175.29 172.50 3k4x n LYS 31 N 2.42 0.44 0.17 0.00 5.02 -0.16 -2.47 118.16 123.58 3k4x n LYS 31 Ca -0.13 -3.37 0.03 0.00 -2.02 0.00 0.00 58.31 52.81 3k4x n LYS 31 Cb 0.52 2.58 0.40 0.00 -0.02 0.00 0.00 35.03 38.51 3k4x n LYS 31 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3k4x h GLU 32 N 0.00 0.09 -0.37 1.97 3.07 -1.95 -2.85 114.58 114.53 3k4x h GLU 32 Ca -0.25 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 3k4x h GLU 32 Cb 1.21 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 3k4x h GLU 32 CO 0.37 0.34 0.00 -0.40 -1.40 0.00 0.00 179.01 177.92 3k4x n ASP 33 N -4.21 2.62 0.00 1.42 5.68 -1.26 -4.91 116.55 115.89 3k4x n ASP 33 Ca -0.02 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.36 3k4x n ASP 33 Cb 0.33 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 3k4x n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k4x n GLY 34 N 1.32 0.70 3.74 6.12 0.00 -1.08 -3.33 105.19 112.65 3k4x n GLY 34 Ca 0.18 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.74 3k4x n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4x s ILE 35 N -1.05 4.66 0.01 -0.61 1.01 -0.21 -0.99 121.20 124.03 3k4x s ILE 35 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.52 3k4x s ILE 35 Cb 0.00 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 3k4x s ILE 35 CO 0.00 0.60 -0.02 0.27 0.00 0.00 0.00 174.94 175.79 3k4x s ILE 36 N -0.94 0.08 0.02 2.92 -4.36 -0.80 0.06 121.20 118.18 3k4x s ILE 36 Ca 0.14 -0.40 0.00 0.00 -0.26 0.00 0.00 60.65 60.13 3k4x s ILE 36 Cb -0.12 -0.14 -0.02 0.00 1.25 0.00 0.00 42.46 43.43 3k4x s ILE 36 CO 0.03 -0.20 -0.03 0.00 0.24 0.00 0.00 174.94 174.98 3k4x s ALA 37 N -0.62 0.18 -0.22 2.27 0.00 0.33 -0.76 121.76 122.95 3k4x s ALA 37 Ca -0.06 -0.65 -0.17 0.00 0.00 0.00 0.00 51.96 51.08 3k4x s ALA 37 Cb -0.04 0.15 0.06 0.00 0.00 0.00 0.00 23.12 23.29 3k4x s ALA 37 CO -0.00 -0.17 0.55 -1.14 0.00 0.00 0.00 175.76 175.00 3k4x s GLN 38 N -1.66 0.61 0.28 0.00 0.74 -1.25 0.92 119.66 119.30 3k4x s GLN 38 Ca -0.14 0.87 -0.16 0.00 0.05 0.00 0.00 55.36 55.98 3k4x s GLN 38 Cb -0.09 0.21 0.01 0.00 1.10 0.00 0.00 33.01 34.24 3k4x s GLN 38 CO -0.02 -0.11 0.62 0.00 -0.55 0.00 0.00 175.29 175.23 3k4x s ALA 39 N 0.81 -0.70 0.29 1.58 0.00 -0.28 -4.41 121.76 119.06 3k4x s ALA 39 Ca -0.04 -0.63 0.09 0.00 0.00 0.00 0.00 51.96 51.38 3k4x s ALA 39 Cb -0.05 0.94 -0.06 0.00 0.00 0.00 0.00 23.12 23.95 3k4x s ALA 39 CO -0.06 -0.95 -0.13 0.08 0.00 0.00 0.00 175.76 174.70 3k4x s VAL 40 N -3.79 2.11 0.38 0.00 1.01 -1.26 0.08 120.40 118.93 3k4x s VAL 40 Ca 0.17 -2.25 -0.06 0.00 0.00 0.00 0.00 61.98 59.83 3k4x s VAL 40 Cb -0.04 -2.41 0.09 0.00 0.00 0.00 0.00 36.38 34.02 3k4x s VAL 40 CO 0.09 -0.34 0.49 -0.90 0.00 0.00 0.00 175.10 174.44 3k4x n ASP 41 N -0.64 -0.10 -0.14 3.32 5.75 -0.60 -4.73 116.55 119.42 3k4x n ASP 41 Ca -0.06 -1.14 -0.09 0.00 -0.01 0.00 0.00 54.79 53.50 3k4x n ASP 41 Cb 0.62 -0.38 -0.01 0.00 -1.03 0.00 0.00 41.12 40.32 3k4x n ASP 41 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3k4x h ASP 42 N -0.75 0.55 1.17 -1.12 3.32 -1.93 -2.10 116.42 115.56 3k4x h ASP 42 Ca -0.16 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.73 3k4x h ASP 42 Cb 0.45 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3k4x h ASP 42 CO 0.11 0.56 0.00 0.77 -1.72 0.00 0.00 179.24 178.96 3k4x h SER 43 N 0.51 0.00 -2.56 6.45 4.64 -1.94 -3.47 113.55 117.18 3k4x h SER 43 Ca 0.14 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.25 3k4x h SER 43 Cb 0.17 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.30 3k4x h SER 43 CO -0.01 0.00 -0.31 0.54 -0.87 0.00 0.00 176.83 176.18 3k4x n ARG 44 N -2.71 -2.57 -0.02 4.77 1.74 -0.79 -4.90 116.66 112.17 3k4x n ARG 44 Ca 0.02 0.46 -0.02 0.00 -0.77 0.00 0.00 57.85 57.55 3k4x n ARG 44 Cb 0.34 -4.40 -0.03 0.00 -1.02 0.00 0.00 32.46 27.35 3k4x n ARG 44 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3k4x n VAL 45 N -3.88 0.29 -2.94 1.55 3.14 -1.26 -4.91 118.33 110.32 3k4x n VAL 45 Ca -0.06 -0.18 -0.43 0.00 -2.96 0.00 0.00 64.34 60.72 3k4x n VAL 45 Cb 0.56 -0.88 -0.05 0.00 -1.06 0.00 0.00 33.84 32.42 3k4x n VAL 45 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 3k4x s LEU 46 N -4.37 4.29 -0.21 6.55 2.96 -1.26 -4.46 118.68 122.17 3k4x s LEU 46 Ca -0.02 -0.32 -0.11 0.00 -0.22 0.00 0.00 54.13 53.45 3k4x s LEU 46 Cb 0.01 -2.84 -0.05 0.00 0.50 0.00 0.00 46.19 43.82 3k4x s LEU 46 CO 0.17 -1.04 0.19 -0.22 -1.32 0.00 0.00 176.35 174.13 3k4x s LEU 47 N 3.47 4.17 -0.13 -0.68 2.96 -0.76 -1.56 118.68 126.14 3k4x s LEU 47 Ca 0.28 0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 54.41 3k4x s LEU 47 Cb -0.13 -2.17 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 3k4x s LEU 47 CO 0.20 0.09 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.55 3k4x s VAL 48 N 0.77 3.53 -0.07 1.68 1.01 0.11 -0.27 120.40 127.16 3k4x s VAL 48 Ca 0.10 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.59 3k4x s VAL 48 Cb -0.13 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.77 3k4x s VAL 48 CO 0.02 0.52 -0.08 -0.55 0.00 0.00 0.00 175.10 175.01 3k4x s SER 49 N 0.16 1.57 -0.11 3.32 0.15 0.29 -1.13 113.70 117.96 3k4x s SER 49 Ca -0.04 -0.23 0.02 0.00 0.70 0.00 0.00 55.95 56.40 3k4x s SER 49 Cb -0.14 -0.69 -0.01 0.00 -1.71 0.00 0.00 66.02 63.47 3k4x s SER 49 CO 0.04 -0.03 -0.19 -0.22 1.20 0.00 0.00 173.24 174.04 3k4x s LEU 50 N 1.00 2.40 -0.14 3.45 2.96 0.26 0.27 118.68 128.89 3k4x s LEU 50 Ca -0.09 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.38 3k4x s LEU 50 Cb -0.15 -1.50 0.03 0.00 0.50 0.00 0.00 46.19 45.07 3k4x s LEU 50 CO -0.00 0.18 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.45 3k4x s GLU 51 N 0.25 1.36 -0.30 1.98 -6.30 -0.36 -0.51 118.70 114.82 3k4x s GLU 51 Ca -0.13 -0.35 0.03 0.00 -2.50 0.00 0.00 54.97 52.03 3k4x s GLU 51 Cb -0.16 -1.74 0.08 0.00 0.00 0.00 0.00 34.13 32.30 3k4x s GLU 51 CO 0.07 -0.36 -0.03 0.42 0.02 0.00 0.00 175.26 175.38 3k4x s ILE 52 N 1.71 2.30 0.80 -3.70 1.01 0.11 -0.53 121.20 122.90 3k4x s ILE 52 Ca 0.03 -1.93 -0.11 0.00 0.00 0.00 0.00 60.65 58.64 3k4x s ILE 52 Cb -0.14 -2.51 0.07 0.00 0.01 0.00 0.00 42.46 39.89 3k4x s ILE 52 CO -0.08 -0.29 1.09 -0.83 0.00 0.00 0.00 174.94 174.83 3k4x s GLY 53 N 1.05 1.64 0.29 6.18 0.00 0.14 -1.04 107.32 115.58 3k4x s GLY 53 Ca -0.00 -0.05 0.01 0.00 0.00 0.00 0.00 44.72 44.68 3k4x s GLY 53 CO -0.06 0.36 1.87 -2.08 0.00 0.00 0.00 173.10 173.19 3k4x h VAL 54 N -1.13 0.99 0.00 1.40 2.07 -1.82 -1.18 116.25 116.58 3k4x h VAL 54 Ca -0.46 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.71 3k4x h VAL 54 Cb 1.25 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3k4x h VAL 54 CO 0.57 0.19 0.00 -0.62 0.02 0.00 0.00 177.57 177.72 3k4x n GLU 55 N -4.55 0.39 0.08 1.57 -0.58 -1.26 -1.88 120.64 114.41 3k4x n GLU 55 Ca 0.16 0.05 0.12 0.00 -0.42 0.00 0.00 57.16 57.07 3k4x n GLU 55 Cb 0.28 -1.50 0.21 0.00 -0.57 0.00 0.00 31.44 29.86 3k4x n GLU 55 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3k4x h ALA 56 N 2.86 0.68 -1.66 0.62 0.00 -1.37 -3.45 119.26 116.93 3k4x h ALA 56 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.47 3k4x h ALA 56 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3k4x h ALA 56 CO 0.00 0.00 -0.32 -0.06 0.00 0.00 0.00 179.25 178.87 3k4x s PHE 57 N -3.17 2.97 -0.04 0.00 0.08 -0.79 -4.81 117.98 112.23 3k4x s PHE 57 Ca 0.07 -0.31 0.13 0.00 0.12 0.00 0.00 56.93 56.94 3k4x s PHE 57 Cb 0.13 -2.12 -0.16 0.00 -0.57 0.00 0.00 43.02 40.29 3k4x s PHE 57 CO 0.70 -0.14 0.96 0.37 -0.10 0.00 0.00 175.22 177.01 3k4x h GLN 58 N 0.84 0.00 -2.10 0.44 4.15 -1.43 -3.46 115.11 113.54 3k4x h GLN 58 Ca -0.43 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.00 3k4x h GLN 58 Cb 1.26 0.00 -0.22 0.00 0.21 0.00 0.00 27.48 28.74 3k4x h GLN 58 CO 0.51 0.57 -0.09 -2.00 -1.93 0.00 0.00 178.83 175.89 3k4x s GLU 59 N -2.76 0.61 -0.07 1.69 -6.30 -1.20 -5.02 118.70 105.64 3k4x s GLU 59 Ca -0.02 1.24 0.01 0.00 -2.50 0.00 0.00 54.97 53.70 3k4x s GLU 59 Cb 0.09 0.37 0.02 0.00 0.00 0.00 0.00 34.13 34.61 3k4x s GLU 59 CO 0.81 -0.17 -0.06 -0.47 0.02 0.00 0.00 175.26 175.38 3k4x s TYR 60 N 2.08 1.11 -0.15 5.30 5.04 -1.26 -1.34 117.35 128.13 3k4x s TYR 60 Ca -0.08 -0.43 -0.04 0.00 -2.44 0.00 0.00 57.07 54.08 3k4x s TYR 60 Cb -0.08 -0.94 0.06 0.00 0.35 0.00 0.00 41.96 41.35 3k4x s TYR 60 CO -0.18 -0.32 0.12 0.50 -1.34 0.00 0.00 175.55 174.32 3k4x s ARG 61 N 1.24 0.06 -0.44 4.97 3.00 -0.41 -5.01 118.95 122.36 3k4x s ARG 61 Ca -0.05 0.11 0.03 0.00 -1.00 0.00 0.00 55.73 54.82 3k4x s ARG 61 Cb -0.14 -1.35 0.12 0.00 0.00 0.00 0.00 34.95 33.58 3k4x s ARG 61 CO -0.02 -0.58 0.19 0.00 0.00 0.00 0.00 175.30 174.89 3k4x h ASP 63 N 6.95 -1.07 -4.04 0.00 3.32 -1.95 -3.43 116.42 116.20 3k4x h ASP 63 Ca -0.06 0.15 -0.31 0.00 0.02 0.00 0.00 57.03 56.84 3k4x h ASP 63 Cb 0.94 0.45 -0.27 0.00 0.22 0.00 0.00 39.33 40.67 3k4x h ASP 63 CO 0.58 -0.37 -0.75 -2.28 -1.72 0.00 0.00 179.24 174.70 3k4x s HIS 64 N -5.98 0.45 -0.40 4.55 2.46 -1.26 -5.04 115.29 110.07 3k4x s HIS 64 Ca -0.15 -0.15 -0.31 0.00 0.47 0.00 0.00 55.06 54.92 3k4x s HIS 64 Cb 0.10 -0.29 -0.10 0.00 -0.13 0.00 0.00 32.58 32.17 3k4x s HIS 64 CO 0.66 -0.02 2.29 -2.30 -2.47 0.00 0.00 174.74 172.90 3k4x n PRO 65 N 2.72 1.18 -4.49 2.88 -0.02 -1.26 -4.84 135.00 131.16 3k4x n PRO 65 Ca -0.14 0.26 -0.32 0.00 -2.02 0.00 0.00 63.50 61.28 3k4x n PRO 65 Cb 0.58 -2.75 -0.11 0.00 -0.02 0.00 0.00 33.50 31.19 3k4x n PRO 65 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3k4x s VAL 66 N 8.70 3.40 -0.21 -1.45 -7.23 -1.03 -4.96 120.40 117.62 3k4x s VAL 66 Ca 1.08 -0.92 -0.06 0.00 -1.81 0.00 0.00 61.98 60.27 3k4x s VAL 66 Cb -0.64 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 33.80 3k4x s VAL 66 CO 0.41 0.35 0.02 -0.89 -0.31 0.00 0.00 175.10 174.68 3k4x s THR 67 N -1.00 4.06 -0.49 5.32 2.01 -1.26 -0.25 115.64 124.03 3k4x s THR 67 Ca 0.17 -0.27 -0.02 0.00 0.31 0.00 0.00 61.69 61.88 3k4x s THR 67 Cb -0.11 -2.85 0.13 0.00 0.01 0.00 0.00 72.50 69.68 3k4x s THR 67 CO 0.08 0.41 0.28 -0.76 -0.69 0.00 0.00 174.62 173.94 3k4x s LEU 68 N 1.11 5.13 -0.12 4.42 1.02 0.17 -4.92 118.68 125.49 3k4x s LEU 68 Ca 0.03 -2.42 -0.23 0.00 0.02 0.00 0.00 54.13 51.53 3k4x s LEU 68 Cb -0.14 -1.81 -0.03 0.00 0.02 0.00 0.00 46.19 44.23 3k4x s LEU 68 CO 0.02 -0.44 0.69 -0.83 0.02 0.00 0.00 176.35 175.81 3k4x s GLY 69 N 1.16 2.38 0.13 -3.19 0.00 -1.26 -0.31 107.32 106.24 3k4x s GLY 69 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 44.72 44.69 3k4x s GLY 69 CO -0.04 1.27 0.39 -3.16 0.00 0.00 0.00 173.10 171.57 3k4x s MET 70 N 1.29 1.08 -0.26 2.90 0.23 -0.99 -0.30 119.30 123.25 3k4x s MET 70 Ca 0.35 -0.74 -0.21 0.00 -1.03 0.00 0.00 55.69 54.06 3k4x s MET 70 Cb -0.17 0.46 -0.01 0.00 -1.53 0.00 0.00 34.83 33.58 3k4x s MET 70 CO 0.15 -0.42 0.67 0.34 -2.03 0.00 0.00 175.02 173.73 3k4x s ASP 71 N -2.81 6.61 0.41 -1.18 3.68 -1.26 -3.22 116.67 118.90 3k4x s ASP 71 Ca 0.04 0.72 0.08 0.00 2.13 0.00 0.00 52.55 55.52 3k4x s ASP 71 Cb 0.02 -2.36 0.88 0.00 -1.45 0.00 0.00 42.92 40.01 3k4x s ASP 71 CO -0.11 -0.42 2.04 -0.07 0.13 0.00 0.00 175.17 176.73 3k4x h LEU 72 N 9.03 0.39 -0.27 -1.34 3.38 -1.84 -0.57 115.31 124.09 3k4x h LEU 72 Ca -0.26 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.71 3k4x h LEU 72 Cb 1.12 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 3k4x h LEU 72 CO 0.80 0.32 0.13 0.74 0.09 0.00 0.00 178.44 180.53 3k4x h THR 73 N 0.45 0.99 -0.14 0.22 2.02 -1.88 0.22 112.91 114.80 3k4x h THR 73 Ca 0.12 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 3k4x h THR 73 Cb 0.02 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3k4x h THR 73 CO -0.02 0.05 0.04 0.28 0.37 0.00 0.00 175.52 176.24 3k4x h SER 74 N 0.28 0.20 -0.80 4.18 0.02 -1.74 -2.61 113.55 113.08 3k4x h SER 74 Ca 0.11 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 60.86 3k4x h SER 74 Cb 0.03 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 3k4x h SER 74 CO -0.08 0.37 0.52 0.25 -1.14 0.00 0.00 176.83 176.75 3k4x h LEU 75 N 0.03 0.86 -1.23 5.07 5.85 -0.90 -2.07 115.31 122.93 3k4x h LEU 75 Ca 0.04 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 3k4x h LEU 75 Cb 0.25 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3k4x h LEU 75 CO -0.00 0.60 -0.37 0.77 -0.34 0.00 0.00 178.44 179.10 3k4x h SER 76 N 1.02 0.00 -0.53 1.25 4.64 -0.52 -0.26 113.55 119.15 3k4x h SER 76 Ca 0.31 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.52 3k4x h SER 76 Cb -0.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 3k4x h SER 76 CO -0.10 0.37 -0.12 0.11 -0.87 0.00 0.00 176.83 176.23 3k4x h LYS 77 N 0.00 1.02 0.00 4.77 1.57 -1.00 -2.19 116.57 120.75 3k4x h LYS 77 Ca -0.00 -0.38 -0.04 0.00 -1.87 0.00 0.00 60.65 58.35 3k4x h LYS 77 Cb 0.70 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 3k4x h LYS 77 CO 0.05 1.07 -0.20 0.82 -0.57 0.00 0.00 179.45 180.62 3k4x h ILE 78 N 0.91 0.43 0.00 1.86 2.04 -0.86 -3.02 117.51 118.86 3k4x h ILE 78 Ca 0.14 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.84 3k4x h ILE 78 Cb 0.69 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 3k4x h ILE 78 CO 0.05 0.19 -0.29 -0.07 0.00 0.00 0.00 178.15 178.03 3k4x h LEU 79 N 0.00 0.00 -0.85 1.44 4.07 -0.73 -3.08 115.31 116.16 3k4x h LEU 79 Ca -0.00 -0.09 -0.06 0.00 0.08 0.00 0.00 57.88 57.80 3k4x h LEU 79 Cb 0.84 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 3k4x h LEU 79 CO 0.03 0.05 -0.30 0.03 -1.08 0.00 0.00 178.44 177.16 3k4x h ARG 80 N 0.00 0.00 -7.33 1.13 3.08 -1.27 -3.46 114.38 106.54 3k4x h ARG 80 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 3k4x h ARG 80 Cb 0.76 0.00 0.08 0.00 0.08 0.00 0.00 29.97 30.89 3k4x h ARG 80 CO 0.00 0.30 0.38 0.00 -1.07 0.00 0.00 179.97 179.58 3k4x n GLY 82 N -2.04 -4.58 3.60 0.00 0.00 -1.26 -4.85 105.19 96.05 3k4x n GLY 82 Ca 0.07 -0.58 -0.45 0.00 0.00 0.00 0.00 46.02 45.07 3k4x n GLY 82 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3k4x n ASN 83 N 0.24 1.44 0.00 1.61 5.15 -1.26 -4.80 115.26 117.64 3k4x n ASN 83 Ca 0.00 1.18 0.04 0.00 -0.60 0.00 0.00 54.58 55.20 3k4x n ASN 83 Cb 0.00 -1.30 0.22 0.00 -0.53 0.00 0.00 39.78 38.16 3k4x n ASN 83 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3k4x n ASN 84 N 1.23 0.00 -0.58 1.20 4.13 -1.26 -0.97 115.26 119.01 3k4x n ASN 84 Ca 0.09 -0.09 0.11 0.00 1.68 0.00 0.00 54.58 56.37 3k4x n ASN 84 Cb 0.32 -0.10 0.05 0.00 -1.54 0.00 0.00 39.78 38.51 3k4x n ASN 84 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3k4x n THR 85 N -1.10 0.00 -1.87 3.41 -2.24 -1.26 -2.78 114.28 108.44 3k4x n THR 85 Ca 0.05 -0.30 -0.32 0.00 -2.27 0.00 0.00 64.05 61.21 3k4x n THR 85 Cb 0.04 1.24 0.02 0.00 -2.10 0.00 0.00 70.33 69.53 3k4x n THR 85 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3k4x s ASP 86 N -2.37 5.73 -0.48 3.42 1.01 -0.14 -4.79 116.67 119.05 3k4x s ASP 86 Ca 0.21 1.68 -0.23 0.00 0.71 0.00 0.00 52.55 54.92 3k4x s ASP 86 Cb 0.19 -2.51 0.03 0.00 1.01 0.00 0.00 42.92 41.64 3k4x s ASP 86 CO 0.51 -1.21 0.82 -0.89 0.21 0.00 0.00 175.17 174.61 3k4x s THR 87 N -2.77 4.59 0.18 -1.27 2.01 0.14 -1.51 115.64 117.01 3k4x s THR 87 Ca 0.60 0.34 -0.27 0.00 0.31 0.00 0.00 61.69 62.68 3k4x s THR 87 Cb -0.14 -4.38 -0.08 0.00 0.01 0.00 0.00 72.50 67.91 3k4x s THR 87 CO 0.45 -0.83 0.82 -0.22 -0.69 0.00 0.00 174.62 174.15 3k4x s LEU 88 N 3.43 4.60 -0.11 4.42 2.96 -1.16 -2.37 118.68 130.44 3k4x s LEU 88 Ca 0.29 1.72 -0.04 0.00 -0.22 0.00 0.00 54.13 55.88 3k4x s LEU 88 Cb -0.13 -3.38 0.05 0.00 0.50 0.00 0.00 46.19 43.23 3k4x s LEU 88 CO 0.21 0.18 0.07 -0.89 -1.32 0.00 0.00 176.35 174.61 3k4x s THR 89 N -1.07 -0.05 0.04 3.68 2.01 -0.23 -0.67 115.64 119.36 3k4x s THR 89 Ca 0.37 0.07 -0.27 0.00 0.31 0.00 0.00 61.69 62.18 3k4x s THR 89 Cb -0.24 -0.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.80 3k4x s THR 89 CO 0.28 -0.07 0.84 -0.76 -0.69 0.00 0.00 174.62 174.21 3k4x s LEU 90 N 2.13 4.43 -0.06 4.42 1.43 0.10 -1.72 118.68 129.42 3k4x s LEU 90 Ca 0.03 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 3k4x s LEU 90 Cb -0.14 -3.35 0.02 0.00 0.03 0.00 0.00 46.19 42.75 3k4x s LEU 90 CO -0.06 -0.06 -0.03 -0.63 0.23 0.00 0.00 176.35 175.80 3k4x s ILE 91 N 0.21 0.51 -0.01 -0.59 1.01 -0.24 -1.34 121.20 120.75 3k4x s ILE 91 Ca 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 61.03 3k4x s ILE 91 Cb -0.21 -0.58 0.01 0.00 0.01 0.00 0.00 42.46 41.69 3k4x s ILE 91 CO 0.25 0.24 0.00 0.00 0.00 0.00 0.00 174.94 175.43 3k4x s ALA 92 N 1.31 0.11 0.73 9.38 0.00 -0.67 -1.60 121.76 131.02 3k4x s ALA 92 Ca -0.05 0.07 -0.12 0.00 0.00 0.00 0.00 51.96 51.86 3k4x s ALA 92 Cb -0.14 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 22.91 3k4x s ALA 92 CO -0.02 -0.02 1.10 0.16 0.00 0.00 0.00 175.76 176.98 3k4x s ASP 93 N 0.36 5.18 0.35 0.00 3.84 -1.26 -1.61 116.67 123.53 3k4x s ASP 93 Ca -0.03 1.13 0.09 0.00 -0.00 0.00 0.00 52.55 53.73 3k4x s ASP 93 Cb -0.05 -1.89 0.81 0.00 -1.38 0.00 0.00 42.92 40.41 3k4x s ASP 93 CO -0.01 -1.51 1.88 0.78 -0.00 0.00 0.00 175.17 176.30 3k4x h ASN 94 N -0.77 0.66 -3.55 2.11 2.35 -1.98 -3.18 115.58 111.21 3k4x h ASN 94 Ca -0.45 0.04 -0.62 0.00 -0.55 0.00 0.00 56.30 54.72 3k4x h ASN 94 Cb 1.26 -0.09 -0.40 0.00 0.05 0.00 0.00 38.32 39.13 3k4x h ASN 94 CO 0.63 0.34 -0.70 0.42 -1.65 0.00 0.00 177.43 176.47 3k4x s THR 95 N -5.68 1.86 -0.12 2.81 -4.23 -1.26 -4.98 115.64 104.04 3k4x s THR 95 Ca -0.10 -3.05 -0.27 0.00 -1.18 0.00 0.00 61.69 57.09 3k4x s THR 95 Cb 0.22 -2.28 -0.02 0.00 1.34 0.00 0.00 72.50 71.76 3k4x s THR 95 CO 0.79 -0.92 0.90 -2.84 -0.54 0.00 0.00 174.62 172.01 3k4x s PRO 96 N -0.14 4.39 0.12 3.99 0.02 -1.20 -4.92 135.00 137.25 3k4x s PRO 96 Ca 0.20 1.19 -0.08 0.00 0.02 0.00 0.00 61.00 62.32 3k4x s PRO 96 Cb -0.19 -3.54 -0.12 0.00 0.02 0.00 0.00 34.50 30.67 3k4x s PRO 96 CO -0.04 -0.25 1.29 -0.44 -0.33 0.00 0.00 177.00 177.23 3k4x h ASP 97 N 7.12 0.73 -5.31 2.53 5.19 -1.97 -3.47 116.42 121.23 3k4x h ASP 97 Ca -0.32 -0.54 -0.12 0.00 -0.62 0.00 0.00 57.03 55.43 3k4x h ASP 97 Cb 1.15 -0.22 -0.12 0.00 0.18 0.00 0.00 39.33 40.32 3k4x h ASP 97 CO 0.83 1.33 -0.34 -0.94 -3.12 0.00 0.00 179.24 177.00 3k4x s SER 98 N -7.13 0.04 0.05 6.45 1.04 -1.26 -2.88 113.70 110.00 3k4x s SER 98 Ca -0.08 -0.98 0.02 0.00 0.48 0.00 0.00 55.95 55.40 3k4x s SER 98 Cb 0.08 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 3k4x s SER 98 CO 0.89 -0.93 0.05 -0.51 0.98 0.00 0.00 173.24 173.71 3k4x s ILE 99 N -4.01 4.39 -0.23 -1.02 2.07 0.25 -4.75 121.20 117.90 3k4x s ILE 99 Ca 0.22 -0.71 -0.00 0.00 -1.41 0.00 0.00 60.65 58.75 3k4x s ILE 99 Cb 0.03 -3.06 0.03 0.00 0.13 0.00 0.00 42.46 39.59 3k4x s ILE 99 CO 0.04 0.22 -0.11 -0.63 -1.91 0.00 0.00 174.94 172.55 3k4x s ILE 100 N -1.28 2.56 0.04 2.00 1.01 -0.63 -1.14 121.20 123.77 3k4x s ILE 100 Ca 0.25 -1.05 -0.10 0.00 0.00 0.00 0.00 60.65 59.75 3k4x s ILE 100 Cb -0.12 -2.26 -0.06 0.00 0.01 0.00 0.00 42.46 40.04 3k4x s ILE 100 CO 0.17 0.28 0.37 -0.76 0.00 0.00 0.00 174.94 175.01 3k4x s LEU 101 N 1.29 4.38 -0.21 2.97 1.02 0.13 -1.08 118.68 127.19 3k4x s LEU 101 Ca 0.01 0.77 -0.05 0.00 0.02 0.00 0.00 54.13 54.88 3k4x s LEU 101 Cb -0.16 -2.82 0.07 0.00 0.02 0.00 0.00 46.19 43.31 3k4x s LEU 101 CO -0.07 0.22 0.11 -0.22 0.02 0.00 0.00 176.35 176.41 3k4x s LEU 102 N -1.69 0.36 -0.01 1.79 2.96 -0.70 -1.14 118.68 120.26 3k4x s LEU 102 Ca 0.30 -0.78 -0.10 0.00 -0.22 0.00 0.00 54.13 53.33 3k4x s LEU 102 Cb -0.14 -0.23 -0.05 0.00 0.50 0.00 0.00 46.19 46.27 3k4x s LEU 102 CO 0.16 -0.37 0.31 -0.36 -1.32 0.00 0.00 176.35 174.77 3k4x s PHE 103 N 2.14 3.63 -0.22 5.38 0.40 0.20 -1.06 117.98 128.45 3k4x s PHE 103 Ca 0.04 0.74 -0.09 0.00 -0.60 0.00 0.00 56.93 57.02 3k4x s PHE 103 Cb -0.16 -2.11 0.09 0.00 0.51 0.00 0.00 43.02 41.36 3k4x s PHE 103 CO -0.17 0.63 0.49 -1.21 0.70 0.00 0.00 175.22 175.66 3k4x s GLU 104 N -1.44 0.42 0.97 0.44 2.02 -1.00 -1.74 118.70 118.38 3k4x s GLU 104 Ca 0.25 1.11 -0.16 0.00 0.02 0.00 0.00 54.97 56.19 3k4x s GLU 104 Cb -0.14 0.38 0.19 0.00 0.10 0.00 0.00 34.13 34.66 3k4x s GLU 104 CO 0.13 -0.22 1.26 0.16 0.02 0.00 0.00 175.26 176.62 3k4x s ASP 105 N 2.39 3.03 0.14 -0.19 -4.77 -1.25 0.28 116.67 116.30 3k4x s ASP 105 Ca -0.05 0.44 -0.19 0.00 -3.30 0.00 0.00 52.55 49.45 3k4x s ASP 105 Cb -0.11 -0.60 0.01 0.00 -1.09 0.00 0.00 42.92 41.13 3k4x s ASP 105 CO -0.15 -2.80 1.71 0.74 0.70 0.00 0.00 175.17 175.37 3k4x h THR 106 N -1.68 0.78 -3.90 2.11 2.02 -1.94 -3.42 112.91 106.88 3k4x h THR 106 Ca -0.45 -0.02 -0.44 0.00 0.77 0.00 0.00 66.41 66.27 3k4x h THR 106 Cb 1.26 0.72 0.16 0.00 -1.74 0.00 0.00 68.15 68.56 3k4x h THR 106 CO 0.43 0.01 0.27 -0.54 0.37 0.00 0.00 175.52 176.06 3k4x s LYS 107 N -6.19 0.11 0.00 6.66 1.02 -1.26 -4.98 119.74 115.10 3k4x s LYS 107 Ca -0.13 -0.04 0.21 0.00 0.02 0.00 0.00 55.97 56.03 3k4x s LYS 107 Cb 0.11 -1.75 0.51 0.00 -0.52 0.00 0.00 37.83 36.18 3k4x s LYS 107 CO 0.69 -2.83 1.44 1.63 -0.92 0.00 0.00 175.35 175.36 3k4x n LYS 108 N -4.14 2.60 0.15 1.68 5.02 -1.26 -4.56 118.16 117.64 3k4x n LYS 108 Ca 0.11 -2.42 -0.13 0.00 -2.02 0.00 0.00 58.31 53.85 3k4x n LYS 108 Cb 0.59 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 34.03 3k4x n LYS 108 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3k4x h ASP 109 N 4.11 -0.55 -3.45 4.39 3.32 -1.92 -3.43 116.42 118.88 3k4x h ASP 109 Ca 0.00 0.05 -0.66 0.00 0.02 0.00 0.00 57.03 56.44 3k4x h ASP 109 Cb 0.95 0.19 -0.22 0.00 0.22 0.00 0.00 39.33 40.48 3k4x h ASP 109 CO 0.00 -0.30 -0.70 -0.60 -1.72 0.00 0.00 179.24 175.91 3k4x s ARG 110 N -6.10 3.26 -0.16 3.56 3.52 -1.26 -2.41 118.95 119.36 3k4x s ARG 110 Ca -0.15 -0.57 -0.04 0.00 -0.13 0.00 0.00 55.73 54.83 3k4x s ARG 110 Cb 0.07 -2.72 0.06 0.00 -1.56 0.00 0.00 34.95 30.79 3k4x s ARG 110 CO 0.65 0.39 0.07 0.42 -0.81 0.00 0.00 175.30 176.02 3k4x s ILE 111 N -0.07 0.08 -0.20 4.11 1.01 -0.64 -3.82 121.20 121.67 3k4x s ILE 111 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 3k4x s ILE 111 Cb -0.13 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 3k4x s ILE 111 CO 0.03 -0.19 0.01 0.00 0.00 0.00 0.00 174.94 174.79 3k4x s ALA 112 N 2.07 3.06 -0.26 9.38 0.00 -0.71 -0.93 121.76 134.37 3k4x s ALA 112 Ca 0.02 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.01 3k4x s ALA 112 Cb -0.16 -1.80 0.07 0.00 0.00 0.00 0.00 23.12 21.23 3k4x s ALA 112 CO -0.08 -0.14 -0.04 -2.00 0.00 0.00 0.00 175.76 173.50 3k4x s GLU 113 N 0.98 1.65 0.03 0.00 2.12 0.72 0.63 118.70 124.82 3k4x s GLU 113 Ca 0.02 -1.20 0.02 0.00 0.36 0.00 0.00 54.97 54.17 3k4x s GLU 113 Cb -0.14 -2.69 -0.04 0.00 0.26 0.00 0.00 34.13 31.52 3k4x s GLU 113 CO 0.02 -0.67 0.01 0.71 -0.54 0.00 0.00 175.26 174.79 3k4x s TYR 114 N 1.28 3.08 -0.06 5.30 1.51 -0.30 -0.51 117.35 127.66 3k4x s TYR 114 Ca -0.03 0.06 0.03 0.00 -1.01 0.00 0.00 57.07 56.13 3k4x s TYR 114 Cb -0.19 -1.64 0.01 0.00 -0.11 0.00 0.00 41.96 40.03 3k4x s TYR 114 CO -0.08 0.48 -0.15 0.45 -1.11 0.00 0.00 175.55 175.14 3k4x s SER 115 N -1.82 2.06 -0.03 2.29 0.15 0.11 0.22 113.70 116.69 3k4x s SER 115 Ca 0.22 -0.35 0.05 0.00 0.70 0.00 0.00 55.95 56.58 3k4x s SER 115 Cb -0.12 -0.81 -0.02 0.00 -1.71 0.00 0.00 66.02 63.36 3k4x s SER 115 CO 0.13 0.09 -0.19 -0.22 1.20 0.00 0.00 173.24 174.26 3k4x s LEU 116 N 0.39 2.48 -0.20 3.45 2.96 -0.29 -1.64 118.68 125.84 3k4x s LEU 116 Ca -0.11 -0.31 -0.26 0.00 -0.22 0.00 0.00 54.13 53.22 3k4x s LEU 116 Cb -0.14 -1.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 3k4x s LEU 116 CO 0.04 0.33 0.89 -0.75 -1.32 0.00 0.00 176.35 175.53 3k4x s LYS 117 N -0.75 4.27 0.95 1.98 2.36 -0.76 -0.58 119.74 127.19 3k4x s LYS 117 Ca 0.11 1.10 -0.12 0.00 -2.55 0.00 0.00 55.97 54.51 3k4x s LYS 117 Cb -0.10 -3.60 0.16 0.00 -1.05 0.00 0.00 37.83 33.23 3k4x s LYS 117 CO 0.00 -0.44 1.10 -0.51 1.55 0.00 0.00 175.35 177.06 3k4x s LEU 118 N 2.53 1.89 0.22 5.43 1.43 -1.14 -4.82 118.68 124.22 3k4x s LEU 118 Ca 0.39 1.23 0.02 0.00 -1.03 0.00 0.00 54.13 54.75 3k4x s LEU 118 Cb -0.16 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 3k4x s LEU 118 CO 0.10 -2.84 0.02 -0.04 0.23 0.00 0.00 176.35 173.82 3k4x s MET 119 N -5.02 1.27 -0.48 1.70 -1.94 0.59 -4.96 119.30 110.46 3k4x s MET 119 Ca 0.64 -1.64 -0.14 0.00 -1.71 0.00 0.00 55.69 52.84 3k4x s MET 119 Cb -0.17 -0.43 0.09 0.00 2.01 0.00 0.00 34.83 36.32 3k4x s MET 119 CO 0.56 -0.15 0.40 0.34 -0.01 0.00 0.00 175.02 176.17 3k4x s ASP 120 N -3.26 6.06 0.08 3.03 2.15 -1.26 -4.14 116.67 119.33 3k4x s ASP 120 Ca 0.29 -1.49 0.09 0.00 0.43 0.00 0.00 52.55 51.87 3k4x s ASP 120 Cb 0.06 -2.15 -0.04 0.00 -0.30 0.00 0.00 42.92 40.50 3k4x s ASP 120 CO 0.08 -0.68 -0.23 -0.63 -0.17 0.00 0.00 175.17 173.54 3k4x s ILE 121 N 1.58 2.47 -0.70 4.11 1.01 -1.26 -5.08 121.20 123.33 3k4x s ILE 121 Ca 0.04 -1.48 -0.24 0.00 0.00 0.00 0.00 60.65 58.97 3k4x s ILE 121 Cb -0.26 -2.06 0.06 0.00 0.01 0.00 0.00 42.46 40.22 3k4x s ILE 121 CO 0.05 0.22 1.09 -1.81 0.00 0.00 0.00 174.94 174.49 3k4x s ASP 122 N -1.71 6.18 -0.22 3.58 1.01 -1.26 -4.99 116.67 119.26 3k4x s ASP 122 Ca 0.14 -0.83 0.02 0.00 0.71 0.00 0.00 52.55 52.59 3k4x s ASP 122 Cb -0.10 -2.47 0.04 0.00 1.01 0.00 0.00 42.92 41.40 3k4x s ASP 122 CO 0.06 -1.58 -0.15 0.00 0.21 0.00 0.00 175.17 173.71 3k4x s ALA 123 N 4.65 2.42 -0.50 5.23 0.00 -1.26 -5.05 121.76 127.25 3k4x s ALA 123 Ca 0.27 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.77 3k4x s ALA 123 Cb -0.13 -1.37 0.13 0.00 0.00 0.00 0.00 23.12 21.75 3k4x s ALA 123 CO 0.11 -0.77 0.27 -0.51 0.00 0.00 0.00 175.76 174.86 3k4x s ASP 124 N 1.21 4.89 -0.33 0.00 1.01 -1.26 -5.07 116.67 117.13 3k4x s ASP 124 Ca -0.02 -2.62 -0.28 0.00 0.71 0.00 0.00 52.55 50.35 3k4x s ASP 124 Cb -0.16 -1.75 -0.03 0.00 1.01 0.00 0.00 42.92 41.99 3k4x s ASP 124 CO -0.09 -0.37 1.91 0.12 0.21 0.00 0.00 175.17 176.95 3k4x s PHE 125 N 0.28 1.64 -0.70 4.23 5.36 -1.26 -4.93 117.98 122.60 3k4x s PHE 125 Ca 0.14 0.65 -0.27 0.00 -0.96 0.00 0.00 56.93 56.50 3k4x s PHE 125 Cb -0.22 -4.06 0.03 0.00 -0.34 0.00 0.00 43.02 38.43 3k4x s PHE 125 CO -0.03 -3.12 1.22 -0.51 -1.46 0.00 0.00 175.22 171.32 3k4x s LEU 126 N 7.52 3.37 -1.04 6.12 1.02 -1.26 -4.96 118.68 129.46 3k4x s LEU 126 Ca 0.84 -0.43 -0.19 0.00 0.02 0.00 0.00 54.13 54.37 3k4x s LEU 126 Cb -0.24 -2.64 0.11 0.00 0.02 0.00 0.00 46.19 43.45 3k4x s LEU 126 CO 0.33 -1.73 1.31 -0.75 0.02 0.00 0.00 176.35 175.54 3k4x s LYS 127 N 5.38 3.73 -0.11 1.70 2.47 -1.26 -4.95 119.74 126.70 3k4x s LYS 127 Ca 0.35 -1.80 -0.04 0.00 -1.56 0.00 0.00 55.97 52.91 3k4x s LYS 127 Cb -0.09 -5.10 0.05 0.00 -1.46 0.00 0.00 37.83 31.23 3k4x s LYS 127 CO 0.16 -1.91 0.22 0.42 0.16 0.00 0.00 175.35 174.40 3k4x s ILE 128 N 3.12 -0.30 0.44 5.43 1.09 -1.26 -5.14 121.20 124.59 3k4x s ILE 128 Ca 0.40 0.28 0.03 0.00 -1.10 0.00 0.00 60.65 60.26 3k4x s ILE 128 Cb -0.03 -0.37 -0.02 0.00 -1.06 0.00 0.00 42.46 40.98 3k4x s ILE 128 CO -0.06 0.12 0.07 -1.61 -0.10 0.00 0.00 174.94 173.36 3k4x s GLU 129 N 2.16 2.02 0.42 2.79 2.02 -1.26 -5.18 118.70 121.67 3k4x s GLU 129 Ca -0.00 -2.25 0.06 0.00 0.02 0.00 0.00 54.97 52.80 3k4x s GLU 129 Cb -0.12 -1.01 -0.07 0.00 0.10 0.00 0.00 34.13 33.03 3k4x s GLU 129 CO -0.07 -0.40 0.02 -1.21 0.02 0.00 0.00 175.26 173.61 3k4x s GLU 130 N -3.78 2.01 -0.14 1.61 2.02 -1.26 -5.06 118.70 114.09 3k4x s GLU 130 Ca 0.18 -2.14 0.18 0.00 0.02 0.00 0.00 54.97 53.21 3k4x s GLU 130 Cb 0.03 -1.64 -0.26 0.00 0.10 0.00 0.00 34.13 32.36 3k4x s GLU 130 CO 0.10 -0.10 0.17 1.47 0.02 0.00 0.00 175.26 176.93 3k4x n LEU 131 N -1.03 0.00 -3.98 1.80 -0.00 -1.26 -4.93 117.00 107.60 3k4x n LEU 131 Ca -0.07 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.65 3k4x n LEU 131 Cb 0.67 0.34 -0.16 0.00 -0.00 0.00 0.00 43.42 44.26 3k4x n LEU 131 CO 0.47 0.34 -0.47 -1.58 -0.00 0.00 0.00 177.39 176.15 3k4x s GLN 132 N -2.73 2.04 -0.09 1.47 2.00 -1.26 -5.11 119.66 115.99 3k4x s GLN 132 Ca -0.09 -0.52 0.04 0.00 -2.00 0.00 0.00 55.36 52.79 3k4x s GLN 132 Cb 0.08 -2.02 -0.01 0.00 0.80 0.00 0.00 33.01 31.86 3k4x s GLN 132 CO 0.80 -0.28 -0.21 0.71 -0.50 0.00 0.00 175.29 175.80 3k4x s TYR 133 N 1.54 2.58 0.51 1.67 1.51 -1.26 -4.98 117.35 118.92 3k4x s TYR 133 Ca 0.04 -0.80 0.29 0.00 -1.01 0.00 0.00 57.07 55.60 3k4x s TYR 133 Cb -0.13 -1.69 1.41 0.00 -0.11 0.00 0.00 41.96 41.43 3k4x s TYR 133 CO -0.10 -0.27 1.87 -0.44 -1.11 0.00 0.00 175.55 175.50 3k4x h ASP 134 N 6.39 0.09 -5.00 2.29 3.32 -1.36 -3.42 116.42 118.73 3k4x h ASP 134 Ca -0.27 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.71 3k4x h ASP 134 Cb 1.21 -0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.56 3k4x h ASP 134 CO 0.49 0.03 -0.03 -0.55 -1.72 0.00 0.00 179.24 177.46 3k4x s SER 135 N -5.55 -0.44 -0.02 6.45 0.15 -0.78 -0.14 113.70 113.37 3k4x s SER 135 Ca -0.06 0.40 -0.00 0.00 0.70 0.00 0.00 55.95 56.99 3k4x s SER 135 Cb 0.22 0.43 0.02 0.00 -1.71 0.00 0.00 66.02 64.99 3k4x s SER 135 CO 0.78 -0.54 0.04 -0.89 1.20 0.00 0.00 173.24 173.82 3k4x s THR 136 N -1.33 -0.04 0.02 6.45 2.01 -0.01 -0.71 115.64 122.03 3k4x s THR 136 Ca -0.12 0.16 -0.09 0.00 0.31 0.00 0.00 61.69 61.94 3k4x s THR 136 Cb -0.02 -0.08 0.00 0.00 0.01 0.00 0.00 72.50 72.41 3k4x s THR 136 CO 0.07 0.06 0.19 -1.48 -0.69 0.00 0.00 174.62 172.77 3k4x s LEU 137 N 0.79 1.37 -0.04 4.42 2.34 0.30 -0.45 118.68 127.41 3k4x s LEU 137 Ca -0.07 -0.27 0.01 0.00 0.06 0.00 0.00 54.13 53.87 3k4x s LEU 137 Cb -0.09 0.90 0.02 0.00 -0.56 0.00 0.00 46.19 46.46 3k4x s LEU 137 CO -0.02 -0.48 -0.04 -0.94 -1.06 0.00 0.00 176.35 173.81 3k4x s SER 138 N -1.78 0.93 0.15 1.48 1.04 -0.62 0.51 113.70 115.41 3k4x s SER 138 Ca -0.09 -0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.25 3k4x s SER 138 Cb -0.04 -0.42 -0.04 0.00 0.10 0.00 0.00 66.02 65.62 3k4x s SER 138 CO -0.01 -0.07 -0.03 -1.48 0.98 0.00 0.00 173.24 172.63 3k4x s LEU 139 N 0.99 2.28 0.05 2.42 2.34 -1.00 -1.28 118.68 124.48 3k4x s LEU 139 Ca -0.10 -1.11 -0.34 0.00 0.06 0.00 0.00 54.13 52.64 3k4x s LEU 139 Cb -0.14 -0.10 -0.13 0.00 -0.56 0.00 0.00 46.19 45.26 3k4x s LEU 139 CO -0.00 -0.51 1.69 -2.65 -1.06 0.00 0.00 176.35 173.82 3k4x n PRO 140 N -0.18 2.11 0.31 1.48 -0.02 -1.26 -0.69 135.00 136.74 3k4x n PRO 140 Ca -0.09 0.77 0.16 0.00 -2.02 0.00 0.00 63.50 62.32 3k4x n PRO 140 Cb 0.62 -2.56 0.85 0.00 -0.02 0.00 0.00 33.50 32.39 3k4x n PRO 140 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3k4x h SER 141 N 7.23 0.00 0.53 2.55 4.64 -1.26 -1.65 113.55 125.59 3k4x h SER 141 Ca -0.46 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 3k4x h SER 141 Cb 1.26 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.36 3k4x h SER 141 CO 0.91 0.00 -0.25 0.77 -0.87 0.00 0.00 176.83 177.39 3k4x h SER 142 N 0.00 -0.60 -0.85 4.97 4.64 -1.87 -0.40 113.55 119.44 3k4x h SER 142 Ca 0.00 0.02 0.14 0.00 -0.47 0.00 0.00 61.79 61.48 3k4x h SER 142 Cb 0.47 0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 62.65 3k4x h SER 142 CO 0.00 -0.33 0.55 -0.08 -0.87 0.00 0.00 176.83 176.10 3k4x h GLU 143 N -0.89 0.61 0.15 4.77 4.81 -1.69 -2.34 114.58 120.00 3k4x h GLU 143 Ca -0.07 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3k4x h GLU 143 Cb 0.54 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.79 3k4x h GLU 143 CO 0.12 0.40 -0.07 0.35 -0.73 0.00 0.00 179.01 179.08 3k4x h PHE 144 N 0.63 -0.19 -1.01 0.92 3.57 -1.45 -1.57 116.94 117.85 3k4x h PHE 144 Ca 0.42 -0.00 0.23 0.00 3.53 0.00 0.00 57.97 62.15 3k4x h PHE 144 Cb 0.73 0.06 -0.11 0.00 2.79 0.00 0.00 35.95 39.43 3k4x h PHE 144 CO -0.00 0.25 0.62 1.03 -2.23 0.00 0.00 178.31 177.97 3k4x h SER 145 N -0.73 0.64 0.46 0.41 0.87 -0.73 -1.45 113.55 113.03 3k4x h SER 145 Ca -0.02 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 3k4x h SER 145 Cb 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 3k4x h SER 145 CO 0.03 0.15 -0.22 0.50 -0.53 0.00 0.00 176.83 176.76 3k4x h LYS 146 N 0.58 -0.60 -0.93 2.24 3.64 -1.38 -1.33 116.57 118.80 3k4x h LYS 146 Ca 0.61 0.04 0.27 0.00 -1.27 0.00 0.00 60.65 60.30 3k4x h LYS 146 Cb 1.20 0.14 -0.16 0.00 -0.41 0.00 0.00 32.23 33.00 3k4x h LYS 146 CO -0.40 -0.37 0.18 0.82 -2.27 0.00 0.00 179.45 177.42 3k4x h ILE 147 N -1.14 0.17 0.12 2.00 2.04 -0.85 0.10 117.51 119.95 3k4x h ILE 147 Ca -0.06 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 3k4x h ILE 147 Cb 0.51 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3k4x h ILE 147 CO 0.10 0.02 -0.06 0.58 0.00 0.00 0.00 178.15 178.80 3k4x h VAL 148 N 0.11 1.08 -0.57 1.67 2.07 -1.30 -2.31 116.25 117.00 3k4x h VAL 148 Ca 0.60 -0.91 0.17 0.00 0.82 0.00 0.00 66.70 67.37 3k4x h VAL 148 Cb 1.27 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.65 3k4x h VAL 148 CO -0.77 0.21 0.41 0.03 0.02 0.00 0.00 177.57 177.48 3k4x h ARG 149 N -0.59 0.00 0.05 1.57 3.08 0.07 -1.66 114.38 116.90 3k4x h ARG 149 Ca -0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3k4x h ARG 149 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3k4x h ARG 149 CO 0.03 0.00 -0.03 -0.44 -1.07 0.00 0.00 179.97 178.46 3k4x h ASP 150 N 0.00 -0.06 0.27 7.04 3.32 -0.77 -3.31 116.42 122.92 3k4x h ASP 150 Ca 0.27 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3k4x h ASP 150 Cb 1.09 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.66 3k4x h ASP 150 CO -0.00 0.56 0.00 0.18 -1.72 0.00 0.00 179.24 178.26 3k4x n LEU 151 N -4.79 0.00 0.00 1.55 4.77 -0.88 -1.65 117.00 116.00 3k4x n LEU 151 Ca -0.04 0.28 0.14 0.00 -0.03 0.00 0.00 56.01 56.36 3k4x n LEU 151 Cb 0.16 -0.28 0.59 0.00 -2.33 0.00 0.00 43.42 41.56 3k4x n LEU 151 CO 0.12 -0.15 0.93 -1.20 -1.33 0.00 0.00 177.39 175.76 3k4x n SER 152 N -1.28 0.06 0.09 -1.43 7.64 -0.64 -2.77 113.62 115.29 3k4x n SER 152 Ca 0.07 0.46 0.12 0.00 1.01 0.00 0.00 58.87 60.52 3k4x n SER 152 Cb 0.11 -0.46 0.10 0.00 -1.01 0.00 0.00 64.21 62.95 3k4x n SER 152 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3k4x h GLN 153 N 0.00 0.00 0.03 1.43 4.20 -1.47 -3.38 115.11 115.92 3k4x h GLN 153 Ca 0.00 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.33 3k4x h GLN 153 Cb 0.51 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.23 3k4x h GLN 153 CO 0.00 0.00 -2.33 1.28 -0.67 0.00 0.00 178.83 177.11 3k4x n LEU 154 N -2.45 2.62 -4.12 1.46 4.77 -1.15 -5.02 117.00 113.10 3k4x n LEU 154 Ca 0.02 -0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.87 3k4x n LEU 154 Cb 0.50 -0.83 -0.09 0.00 -2.33 0.00 0.00 43.42 40.66 3k4x n LEU 154 CO 0.38 0.87 -0.19 -0.55 -1.33 0.00 0.00 177.39 176.57 3k4x s SER 155 N -6.57 0.17 0.00 -1.43 0.15 -1.11 -3.37 113.70 101.54 3k4x s SER 155 Ca -0.29 -1.20 0.24 0.00 0.70 0.00 0.00 55.95 55.40 3k4x s SER 155 Cb 0.08 0.37 0.56 0.00 -1.71 0.00 0.00 66.02 65.33 3k4x s SER 155 CO 0.67 -0.83 1.47 0.47 1.20 0.00 0.00 173.24 176.21 3k4x n ASP 156 N -0.20 2.50 -3.62 5.45 8.00 -1.26 -4.51 116.55 122.91 3k4x n ASP 156 Ca -0.03 -1.83 -0.17 0.00 0.71 0.00 0.00 54.79 53.47 3k4x n ASP 156 Cb 0.64 -0.09 -0.15 0.00 -0.02 0.00 0.00 41.12 41.50 3k4x n ASP 156 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3k4x s SER 157 N -1.76 0.96 0.24 -2.24 0.01 -1.26 -0.76 113.70 108.89 3k4x s SER 157 Ca 0.34 0.17 -0.03 0.00 1.31 0.00 0.00 55.95 57.74 3k4x s SER 157 Cb 0.20 0.32 -0.05 0.00 0.21 0.00 0.00 66.02 66.70 3k4x s SER 157 CO 0.30 -0.27 0.47 -0.63 0.41 0.00 0.00 173.24 173.52 3k4x s ILE 158 N 2.31 5.11 -0.08 1.44 1.01 -0.31 -4.46 121.20 126.22 3k4x s ILE 158 Ca 0.04 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.57 3k4x s ILE 158 Cb -0.13 -3.73 0.02 0.00 0.01 0.00 0.00 42.46 38.63 3k4x s ILE 158 CO -0.08 -0.23 -0.10 0.21 0.00 0.00 0.00 174.94 174.74 3k4x s ASN 159 N -3.11 1.81 -0.22 3.58 2.47 0.78 -0.33 114.94 119.91 3k4x s ASN 159 Ca 0.41 -0.28 -0.09 0.00 0.42 0.00 0.00 52.86 53.32 3k4x s ASN 159 Cb -0.11 -0.78 -0.04 0.00 -1.45 0.00 0.00 41.25 38.86 3k4x s ASN 159 CO 0.29 -0.03 0.11 -0.63 -3.72 0.00 0.00 177.10 173.13 3k4x s ILE 160 N 1.04 5.03 -0.16 -5.21 1.01 -0.26 -0.06 121.20 122.59 3k4x s ILE 160 Ca -0.08 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.64 3k4x s ILE 160 Cb -0.15 -3.32 0.03 0.00 0.01 0.00 0.00 42.46 39.04 3k4x s ILE 160 CO -0.01 0.39 -0.11 -0.32 0.00 0.00 0.00 174.94 174.89 3k4x s MET 161 N 0.88 2.01 -0.17 2.79 1.75 0.15 -2.51 119.30 124.21 3k4x s MET 161 Ca 0.06 -0.59 -0.02 0.00 -1.25 0.00 0.00 55.69 53.89 3k4x s MET 161 Cb -0.13 -2.10 -0.01 0.00 2.84 0.00 0.00 34.83 35.42 3k4x s MET 161 CO 0.03 -0.32 -0.08 0.42 -0.65 0.00 0.00 175.02 174.42 3k4x s ILE 162 N 1.51 3.31 0.30 10.11 -1.09 -0.53 -1.13 121.20 133.68 3k4x s ILE 162 Ca 0.03 -0.55 0.03 0.00 -2.23 0.00 0.00 60.65 57.93 3k4x s ILE 162 Cb -0.14 -2.45 -0.06 0.00 -1.58 0.00 0.00 42.46 38.24 3k4x s ILE 162 CO -0.09 0.48 0.07 0.42 -1.23 0.00 0.00 174.94 174.59 3k4x s THR 163 N 0.78 0.94 -0.06 2.92 -4.23 -0.72 -3.05 115.64 112.22 3k4x s THR 163 Ca -0.03 -2.00 -0.33 0.00 -1.18 0.00 0.00 61.69 58.15 3k4x s THR 163 Cb -0.15 -2.73 -0.11 0.00 1.34 0.00 0.00 72.50 70.85 3k4x s THR 163 CO 0.01 -0.00 1.92 2.29 -0.54 0.00 0.00 174.62 178.30 3k4x n LYS 164 N -0.60 2.37 -3.31 3.99 2.85 -1.26 -1.33 118.16 120.87 3k4x n LYS 164 Ca -0.01 0.87 -0.20 0.00 -1.05 0.00 0.00 58.31 57.91 3k4x n LYS 164 Cb 0.66 -2.75 0.06 0.00 -0.65 0.00 0.00 35.03 32.35 3k4x n LYS 164 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3k4x n GLU 165 N 6.95 -6.21 -3.63 -1.58 1.02 -1.26 -5.00 120.64 110.93 3k4x n GLU 165 Ca 0.22 0.73 -0.04 0.00 -0.02 0.00 0.00 57.16 58.06 3k4x n GLU 165 Cb 0.33 -5.40 -0.06 0.00 -0.02 0.00 0.00 31.44 26.29 3k4x n GLU 165 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3k4x s THR 166 N -3.23 -0.41 -0.20 2.62 2.01 -0.44 -4.55 115.64 111.44 3k4x s THR 166 Ca 0.44 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.45 3k4x s THR 166 Cb -0.20 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.36 3k4x s THR 166 CO 0.55 0.00 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.77 3k4x s ILE 167 N 2.15 1.49 -0.25 1.82 1.01 0.51 -1.76 121.20 126.17 3k4x s ILE 167 Ca -0.08 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.62 3k4x s ILE 167 Cb -0.08 -1.64 0.06 0.00 0.01 0.00 0.00 42.46 40.81 3k4x s ILE 167 CO -0.19 0.09 -0.11 -0.75 0.00 0.00 0.00 174.94 173.98 3k4x s LYS 168 N 1.45 2.19 -0.10 2.79 2.20 -0.28 -0.69 119.74 127.30 3k4x s LYS 168 Ca -0.02 -1.28 -0.17 0.00 -0.36 0.00 0.00 55.97 54.14 3k4x s LYS 168 Cb -0.17 -2.84 -0.05 0.00 -1.51 0.00 0.00 37.83 33.27 3k4x s LYS 168 CO -0.08 -0.56 0.44 -0.06 -0.36 0.00 0.00 175.35 174.74 3k4x s PHE 169 N 1.15 3.55 0.00 4.03 0.40 -0.32 -0.67 117.98 126.11 3k4x s PHE 169 Ca -0.08 0.87 0.03 0.00 -0.60 0.00 0.00 56.93 57.15 3k4x s PHE 169 Cb -0.20 -2.48 -0.01 0.00 0.51 0.00 0.00 43.02 40.85 3k4x s PHE 169 CO -0.05 0.27 -0.11 0.08 0.70 0.00 0.00 175.22 176.10 3k4x s VAL 170 N 0.29 0.85 -0.01 -0.44 1.01 0.92 -0.64 120.40 122.36 3k4x s VAL 170 Ca 0.24 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 3k4x s VAL 170 Cb -0.15 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.51 3k4x s VAL 170 CO 0.10 0.15 0.03 0.00 0.00 0.00 0.00 175.10 175.38 3k4x s ALA 171 N -0.41 -0.02 -0.09 5.51 0.00 0.04 -0.16 121.76 126.63 3k4x s ALA 171 Ca 0.03 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.15 3k4x s ALA 171 Cb -0.05 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.98 3k4x s ALA 171 CO -0.00 -0.04 -0.08 -0.51 0.00 0.00 0.00 175.76 175.13 3k4x s ASP 172 N 0.37 1.93 0.00 0.00 1.11 -1.26 -1.13 116.67 117.69 3k4x s ASP 172 Ca -0.03 -0.27 0.00 0.00 0.18 0.00 0.00 52.55 52.43 3k4x s ASP 172 Cb -0.04 -0.77 0.00 0.00 1.07 0.00 0.00 42.92 43.17 3k4x s ASP 172 CO -0.01 -0.08 0.00 0.61 1.18 0.00 0.00 175.17 176.87 3k4x n GLY 173 N 4.61 4.16 0.21 0.21 0.00 0.55 -4.58 105.19 110.35 3k4x n GLY 173 Ca -0.16 -1.77 -0.18 0.00 0.00 0.00 0.00 46.02 43.92 3k4x n GLY 173 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3k4x h ASP 174 N 0.00 0.90 0.92 1.61 3.32 -1.99 -3.23 116.42 117.95 3k4x h ASP 174 Ca 0.00 -0.64 -0.13 0.00 0.02 0.00 0.00 57.03 56.27 3k4x h ASP 174 Cb 0.00 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 3k4x h ASP 174 CO 0.00 1.44 -0.63 0.16 -1.72 0.00 0.00 179.24 178.49 3k4x h ILE 175 N 0.46 1.26 0.00 0.35 3.07 -1.96 -3.46 117.51 117.24 3k4x h ILE 175 Ca -0.08 -2.30 0.00 0.00 1.55 0.00 0.00 64.86 64.03 3k4x h ILE 175 Cb 1.53 2.31 0.00 0.00 -0.27 0.00 0.00 36.82 40.38 3k4x h ILE 175 CO 0.18 0.62 0.00 0.61 -1.05 0.00 0.00 178.15 178.50 3k4x n GLY 176 N 0.68 -0.80 3.21 0.16 0.00 -1.22 -1.99 105.19 105.23 3k4x n GLY 176 Ca -0.00 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 3k4x n GLY 176 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k4x s SER 177 N -4.00 1.06 -0.15 1.61 1.04 -0.21 -0.33 113.70 112.71 3k4x s SER 177 Ca 0.00 -1.13 -0.16 0.00 0.48 0.00 0.00 55.95 55.14 3k4x s SER 177 Cb 0.00 0.14 0.04 0.00 0.10 0.00 0.00 66.02 66.30 3k4x s SER 177 CO 0.00 -0.56 0.45 -0.83 0.98 0.00 0.00 173.24 173.27 3k4x s GLY 178 N -3.12 -0.33 -0.03 7.32 0.00 -0.29 0.10 107.32 110.98 3k4x s GLY 178 Ca 0.20 1.20 0.00 0.00 0.00 0.00 0.00 44.72 46.13 3k4x s GLY 178 CO 0.01 1.02 0.01 -1.35 0.00 0.00 0.00 173.10 172.78 3k4x s SER 179 N 0.08 0.36 -0.22 1.64 1.04 0.18 -0.78 113.70 115.99 3k4x s SER 179 Ca -0.01 -0.01 -0.04 0.00 0.48 0.00 0.00 55.95 56.36 3k4x s SER 179 Cb -0.03 -0.19 -0.00 0.00 0.10 0.00 0.00 66.02 65.89 3k4x s SER 179 CO 0.01 -0.10 -0.04 -0.69 0.98 0.00 0.00 173.24 173.39 3k4x s VAL 180 N 1.02 3.33 -0.24 5.02 1.01 0.19 -1.43 120.40 129.30 3k4x s VAL 180 Ca -0.10 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 3k4x s VAL 180 Cb -0.13 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3k4x s VAL 180 CO -0.02 0.39 0.07 -0.63 0.00 0.00 0.00 175.10 174.91 3k4x s ILE 181 N 1.46 4.40 0.15 2.22 -1.09 -0.84 -1.18 121.20 126.33 3k4x s ILE 181 Ca 0.05 -0.15 0.10 0.00 -2.23 0.00 0.00 60.65 58.43 3k4x s ILE 181 Cb -0.14 -3.05 -0.04 0.00 -1.58 0.00 0.00 42.46 37.65 3k4x s ILE 181 CO -0.03 0.36 -0.23 0.27 -1.23 0.00 0.00 174.94 174.07 3k4x s ILE 182 N 1.38 2.10 0.07 2.92 -4.36 0.14 -2.48 121.20 120.98 3k4x s ILE 182 Ca 0.05 -1.83 0.08 0.00 -0.26 0.00 0.00 60.65 58.70 3k4x s ILE 182 Cb -0.15 -1.92 -0.03 0.00 1.25 0.00 0.00 42.46 41.61 3k4x s ILE 182 CO 0.04 -0.07 -0.21 -0.54 0.24 0.00 0.00 174.94 174.39 3k4x s LYS 183 N -2.34 1.28 0.11 0.37 1.02 -1.26 -0.36 119.74 118.56 3k4x s LYS 183 Ca 0.15 -1.07 -0.31 0.00 0.02 0.00 0.00 55.97 54.76 3k4x s LYS 183 Cb -0.09 -1.48 -0.10 0.00 -0.52 0.00 0.00 37.83 35.64 3k4x s LYS 183 CO 0.07 0.36 1.79 -2.14 -0.92 0.00 0.00 175.35 174.51 3k4x s PRO 184 N -1.56 4.15 0.01 -1.68 0.02 -1.26 -4.85 135.00 129.83 3k4x s PRO 184 Ca 0.07 2.54 -0.09 0.00 0.02 0.00 0.00 61.00 63.54 3k4x s PRO 184 Cb -0.09 -3.58 0.01 0.00 0.02 0.00 0.00 34.50 30.85 3k4x s PRO 184 CO 0.03 -0.82 0.19 -0.59 -0.33 0.00 0.00 177.00 175.48 3k4x s PHE 185 N 2.68 -0.01 -0.21 6.54 -0.12 -1.03 -4.97 117.98 120.86 3k4x s PHE 185 Ca 0.79 -0.07 0.01 0.00 -0.05 0.00 0.00 56.93 57.61 3k4x s PHE 185 Cb -0.45 -0.01 0.03 0.00 -0.63 0.00 0.00 43.02 41.96 3k4x s PHE 185 CO 0.35 -0.34 -0.15 0.08 -0.05 0.00 0.00 175.22 175.12 3k4x s VAL 186 N -1.61 2.29 -0.38 -2.49 1.01 -1.26 -0.74 120.40 117.22 3k4x s VAL 186 Ca -0.13 -1.09 -0.17 0.00 0.00 0.00 0.00 61.98 60.59 3k4x s VAL 186 Cb -0.06 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.24 3k4x s VAL 186 CO 0.01 0.35 0.44 -0.62 0.00 0.00 0.00 175.10 175.28 3k4x s ASP 187 N 1.26 6.22 0.21 3.32 -1.08 -1.26 -4.95 116.67 120.38 3k4x s ASP 187 Ca 0.01 -0.39 -0.06 0.00 -0.52 0.00 0.00 52.55 51.59 3k4x s ASP 187 Cb -0.15 -2.23 0.16 0.00 -1.46 0.00 0.00 42.92 39.24 3k4x s ASP 187 CO -0.09 -0.50 1.66 0.24 0.52 0.00 0.00 175.17 177.00 3k4x h MET 188 N 8.60 0.93 0.05 4.34 2.86 -1.98 -2.35 114.93 127.38 3k4x h MET 188 Ca -0.28 -0.31 -0.25 0.00 -2.06 0.00 0.00 59.70 56.80 3k4x h MET 188 Cb 1.12 -0.07 0.02 0.00 0.06 0.00 0.00 31.60 32.73 3k4x h MET 188 CO 0.76 0.96 -1.02 0.93 1.06 0.00 0.00 176.91 179.61 3k4x h GLU 189 N 0.84 0.61 -2.45 1.72 3.07 -2.07 -3.39 114.58 112.90 3k4x h GLU 189 Ca 0.14 -0.72 -0.59 0.00 -0.50 0.00 0.00 59.36 57.69 3k4x h GLU 189 Cb 0.60 0.22 -0.40 0.00 -0.84 0.00 0.00 28.75 28.33 3k4x h GLU 189 CO 0.04 1.30 -0.80 0.72 -1.40 0.00 0.00 179.01 178.87 3k4x n HIS 190 N -3.92 1.47 0.27 4.33 8.25 -1.21 -4.95 115.22 119.46 3k4x n HIS 190 Ca -0.12 -3.85 0.17 0.00 -0.26 0.00 0.00 57.72 53.66 3k4x n HIS 190 Cb 0.88 -0.32 0.92 0.00 1.12 0.00 0.00 29.99 32.59 3k4x n HIS 190 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3k4x h PRO 191 N 4.86 0.00 0.00 -0.41 0.11 -1.63 -2.02 132.00 132.91 3k4x h PRO 191 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3k4x h PRO 191 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3k4x h PRO 191 CO 0.60 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.78 3k4x n GLU 192 N -3.64 0.57 0.00 1.05 -0.58 -1.26 -2.06 120.64 114.72 3k4x n GLU 192 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 3k4x n GLU 192 Cb 0.20 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 3k4x n GLU 192 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 3k4x n THR 193 N -0.84 0.00 -1.47 2.62 5.66 -0.76 -4.62 114.28 114.88 3k4x n THR 193 Ca 0.09 -0.47 -0.31 0.00 -3.05 0.00 0.00 64.05 60.31 3k4x n THR 193 Cb 0.04 1.03 0.06 0.00 -1.55 0.00 0.00 70.33 69.92 3k4x n THR 193 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3k4x s SER 194 N -0.38 5.09 -0.23 1.09 1.04 -0.88 -4.72 113.70 114.72 3k4x s SER 194 Ca 0.00 1.69 0.02 0.00 0.48 0.00 0.00 55.95 58.14 3k4x s SER 194 Cb 0.00 -2.50 0.05 0.00 0.10 0.00 0.00 66.02 63.67 3k4x s SER 194 CO 0.00 -1.64 -0.11 -0.63 0.98 0.00 0.00 173.24 171.85 3k4x s ILE 195 N -2.99 1.86 0.03 -1.02 1.01 0.09 -4.34 121.20 115.84 3k4x s ILE 195 Ca 0.59 -1.27 -0.14 0.00 0.00 0.00 0.00 60.65 59.83 3k4x s ILE 195 Cb -0.15 -1.95 -0.06 0.00 0.01 0.00 0.00 42.46 40.31 3k4x s ILE 195 CO 0.55 0.09 0.43 -0.54 0.00 0.00 0.00 174.94 175.47 3k4x s LYS 196 N 1.28 3.92 -0.17 2.79 -0.14 -0.41 -2.47 119.74 124.54 3k4x s LYS 196 Ca -0.04 0.40 -0.05 0.00 -1.36 0.00 0.00 55.97 54.92 3k4x s LYS 196 Cb -0.18 -3.16 0.08 0.00 -1.68 0.00 0.00 37.83 32.89 3k4x s LYS 196 CO -0.07 0.65 0.31 -1.17 -0.76 0.00 0.00 175.35 174.31 3k4x s LEU 197 N -1.29 -0.42 -0.20 3.17 2.96 -1.26 -1.59 118.68 120.05 3k4x s LEU 197 Ca 0.27 0.59 0.01 0.00 -0.22 0.00 0.00 54.13 54.78 3k4x s LEU 197 Cb -0.16 0.90 0.04 0.00 0.50 0.00 0.00 46.19 47.46 3k4x s LEU 197 CO 0.15 -0.25 -0.13 -1.83 -1.32 0.00 0.00 176.35 172.97 3k4x s GLU 198 N 2.48 2.31 -0.32 1.98 1.03 0.40 -4.95 118.70 121.64 3k4x s GLU 198 Ca 0.02 -0.92 -0.02 0.00 0.03 0.00 0.00 54.97 54.08 3k4x s GLU 198 Cb -0.13 -2.53 0.06 0.00 -0.80 0.00 0.00 34.13 30.73 3k4x s GLU 198 CO -0.11 -0.39 0.03 1.41 -1.33 0.00 0.00 175.26 174.87 3k4x s MET 199 N 1.32 2.37 0.15 -4.83 1.75 -1.26 -0.83 119.30 117.96 3k4x s MET 199 Ca -0.01 -1.34 0.08 0.00 -1.25 0.00 0.00 55.69 53.17 3k4x s MET 199 Cb -0.16 -3.25 -0.12 0.00 2.84 0.00 0.00 34.83 34.14 3k4x s MET 199 CO -0.09 -0.68 1.33 -0.44 -0.65 0.00 0.00 175.02 174.49 3k4x h ASP 200 N 8.01 0.00 -3.28 1.11 3.32 -1.45 -3.47 116.42 120.66 3k4x h ASP 200 Ca -0.20 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.90 3k4x h ASP 200 Cb 1.06 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.36 3k4x h ASP 200 CO 0.56 0.93 0.39 -1.58 -1.72 0.00 0.00 179.24 177.82 3k4x s GLN 201 N -2.84 0.55 0.66 3.56 0.74 0.81 -5.03 119.66 118.10 3k4x s GLN 201 Ca 0.01 0.67 -0.17 0.00 0.05 0.00 0.00 55.36 55.92 3k4x s GLN 201 Cb 0.10 0.26 -0.02 0.00 1.10 0.00 0.00 33.01 34.45 3k4x s GLN 201 CO 0.81 -0.07 0.98 -2.30 -0.55 0.00 0.00 175.29 174.17 3k4x n PRO 202 N 2.40 0.74 -4.06 1.67 -0.02 -1.26 -4.12 135.00 130.35 3k4x n PRO 202 Ca -0.13 0.30 -0.13 0.00 -2.02 0.00 0.00 63.50 61.52 3k4x n PRO 202 Cb 0.56 -2.22 -0.13 0.00 -0.02 0.00 0.00 33.50 31.69 3k4x n PRO 202 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3k4x s VAL 203 N -1.63 0.36 -0.35 -1.45 -7.23 -1.17 -4.97 120.40 103.97 3k4x s VAL 203 Ca 0.76 -0.61 0.13 0.00 -1.81 0.00 0.00 61.98 60.46 3k4x s VAL 203 Cb -0.38 -0.39 0.45 0.00 0.56 0.00 0.00 36.38 36.62 3k4x s VAL 203 CO 0.47 -0.17 1.04 0.47 -0.31 0.00 0.00 175.10 176.61 3k4x n ASP 204 N 2.23 2.84 -4.78 4.85 8.00 -1.26 -1.45 116.55 126.99 3k4x n ASP 204 Ca -0.18 -3.04 -0.37 0.00 0.71 0.00 0.00 54.79 51.90 3k4x n ASP 204 Cb 0.57 -0.48 -0.05 0.00 -0.02 0.00 0.00 41.12 41.13 3k4x n ASP 204 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3k4x s LEU 205 N -3.39 4.29 -0.09 0.64 1.43 -1.04 -4.84 118.68 115.67 3k4x s LEU 205 Ca 0.36 2.02 -0.00 0.00 -1.03 0.00 0.00 54.13 55.48 3k4x s LEU 205 Cb 0.42 -4.02 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 3k4x s LEU 205 CO -0.04 -0.29 -0.07 -0.89 0.23 0.00 0.00 176.35 175.29 3k4x s THR 206 N -1.54 3.65 -0.02 5.49 2.01 -1.26 -1.11 115.64 122.86 3k4x s THR 206 Ca 0.53 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 62.09 3k4x s THR 206 Cb -0.23 -2.52 -0.01 0.00 0.01 0.00 0.00 72.50 69.76 3k4x s THR 206 CO 0.29 0.57 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.29 3k4x s PHE 207 N -0.44 1.32 0.18 4.92 0.08 0.55 -0.38 117.98 124.21 3k4x s PHE 207 Ca 0.06 -0.30 -0.33 0.00 0.12 0.00 0.00 56.93 56.48 3k4x s PHE 207 Cb -0.12 -0.88 -0.13 0.00 -0.57 0.00 0.00 43.02 41.32 3k4x s PHE 207 CO 0.02 -0.07 1.66 0.41 -0.10 0.00 0.00 175.22 177.14 3k4x n GLY 208 N 2.96 1.35 0.31 4.36 0.00 -1.26 -1.16 105.19 111.74 3k4x n GLY 208 Ca -0.16 0.64 0.05 0.00 0.00 0.00 0.00 46.02 46.54 3k4x n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4x h ALA 209 N 6.44 1.73 -0.72 4.61 0.00 -1.27 -2.53 119.26 127.51 3k4x h ALA 209 Ca -0.44 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.50 3k4x h ALA 209 Cb 1.23 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 3k4x h ALA 209 CO 0.93 0.24 0.42 -0.22 0.00 0.00 0.00 179.25 180.62 3k4x h LYS 210 N 0.54 0.77 -0.06 0.00 3.11 -1.90 -1.41 116.57 117.61 3k4x h LYS 210 Ca 0.16 -0.05 -0.25 0.00 -2.81 0.00 0.00 60.65 57.70 3k4x h LYS 210 Cb -0.02 -0.17 0.02 0.00 -1.00 0.00 0.00 32.23 31.05 3k4x h LYS 210 CO -0.04 0.51 -0.93 1.88 -2.81 0.00 0.00 179.45 178.06 3k4x h TYR 211 N 0.79 1.06 -0.76 1.91 0.05 -1.85 -3.03 116.97 115.15 3k4x h TYR 211 Ca 0.31 -0.53 0.01 0.00 0.05 0.00 0.00 58.73 58.57 3k4x h TYR 211 Cb 0.15 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 37.71 3k4x h TYR 211 CO -0.06 1.37 0.50 -0.07 -1.05 0.00 0.00 178.16 178.85 3k4x h LEU 212 N 0.45 0.85 -1.69 3.88 3.38 -1.29 -0.05 115.31 120.85 3k4x h LEU 212 Ca -0.10 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3k4x h LEU 212 Cb 1.58 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 3k4x h LEU 212 CO 0.19 0.61 -0.09 -0.07 0.09 0.00 0.00 178.44 179.17 3k4x h LEU 213 N 1.00 0.08 -0.04 1.67 3.38 -1.19 -1.04 115.31 119.17 3k4x h LEU 213 Ca 0.28 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.10 3k4x h LEU 213 Cb -0.08 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.66 3k4x h LEU 213 CO -0.07 0.18 -0.52 0.44 0.09 0.00 0.00 178.44 178.56 3k4x h ASP 214 N 0.08 0.53 -0.70 -0.43 3.32 -1.09 -3.35 116.42 114.79 3k4x h ASP 214 Ca 0.02 -0.71 -0.00 0.00 0.02 0.00 0.00 57.03 56.36 3k4x h ASP 214 Cb 0.21 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3k4x h ASP 214 CO 0.01 1.16 0.43 0.40 -1.72 0.00 0.00 179.24 179.53 3k4x h ILE 215 N -0.05 1.20 0.00 0.35 2.04 -0.40 -2.54 117.51 118.11 3k4x h ILE 215 Ca -0.05 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3k4x h ILE 215 Cb 1.21 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3k4x h ILE 215 CO 0.11 0.20 0.00 2.30 0.00 0.00 0.00 178.15 180.76 3k4x n ILE 216 N -4.55 0.83 0.80 -0.67 -5.35 -0.46 -1.53 119.36 108.43 3k4x n ILE 216 Ca 0.06 0.21 0.12 0.00 -0.27 0.00 0.00 62.75 62.87 3k4x n ILE 216 Cb 0.05 -1.06 0.51 0.00 -1.74 0.00 0.00 39.64 37.40 3k4x n ILE 216 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3k4x n LYS 217 N -1.29 0.05 0.00 6.28 5.02 -0.96 -2.95 118.16 124.32 3k4x n LYS 217 Ca 0.04 0.11 0.12 0.00 -2.02 0.00 0.00 58.31 56.57 3k4x n LYS 217 Cb 0.07 -1.57 0.74 0.00 -0.02 0.00 0.00 35.03 34.25 3k4x n LYS 217 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k4x n GLY 218 N 1.07 -0.80 0.12 0.72 0.00 -0.58 -3.32 105.19 102.40 3k4x n GLY 218 Ca 0.06 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.03 3k4x n GLY 218 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k4x n SER 219 N -1.01 0.53 0.19 1.61 7.64 -1.15 -1.92 113.62 119.50 3k4x n SER 219 Ca 0.18 0.68 0.14 0.00 1.01 0.00 0.00 58.87 60.88 3k4x n SER 219 Cb 0.09 -0.77 0.55 0.00 -1.01 0.00 0.00 64.21 63.06 3k4x n SER 219 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3k4x h SER 220 N 0.00 0.00 0.04 6.43 4.64 -1.85 -3.23 113.55 119.57 3k4x h SER 220 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 3k4x h SER 220 Cb 0.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.24 3k4x h SER 220 CO 0.00 0.00 -1.90 0.18 -0.87 0.00 0.00 176.83 174.24 3k4x n LEU 221 N -2.61 2.25 -4.21 5.97 4.32 -0.81 -4.83 117.00 117.08 3k4x n LEU 221 Ca 0.02 0.27 -0.22 0.00 -0.02 0.00 0.00 56.01 56.06 3k4x n LEU 221 Cb 0.29 -0.97 -0.13 0.00 -1.62 0.00 0.00 43.42 40.99 3k4x n LEU 221 CO 0.24 0.59 -0.49 -0.55 -1.22 0.00 0.00 177.39 175.97 3k4x s SER 222 N -7.00 2.05 0.33 -1.43 0.15 -1.22 -4.89 113.70 101.69 3k4x s SER 222 Ca -0.30 -0.58 0.26 0.00 0.70 0.00 0.00 55.95 56.03 3k4x s SER 222 Cb 0.08 -0.11 0.97 0.00 -1.71 0.00 0.00 66.02 65.25 3k4x s SER 222 CO 0.62 0.03 1.78 0.44 1.20 0.00 0.00 173.24 177.31 3k4x h ASP 223 N 4.48 0.00 -2.77 5.45 5.19 -1.90 -3.43 116.42 123.43 3k4x h ASP 223 Ca -0.42 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.48 3k4x h ASP 223 Cb 1.18 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.55 3k4x h ASP 223 CO 0.41 0.00 -0.67 -0.13 -3.12 0.00 0.00 179.24 175.73 3k4x s ARG 224 N -3.34 1.60 -0.04 3.56 0.52 -1.26 -0.96 118.95 119.03 3k4x s ARG 224 Ca 0.05 -1.82 -0.02 0.00 -0.52 0.00 0.00 55.73 53.42 3k4x s ARG 224 Cb 0.09 -1.23 0.03 0.00 0.52 0.00 0.00 34.95 34.36 3k4x s ARG 224 CO 0.50 0.04 0.06 0.54 0.02 0.00 0.00 175.30 176.46 3k4x s VAL 225 N -2.96 -0.11 0.10 3.52 0.11 0.13 -4.41 120.40 116.77 3k4x s VAL 225 Ca 0.30 0.39 -0.25 0.00 -2.93 0.00 0.00 61.98 59.50 3k4x s VAL 225 Cb 0.04 -0.15 -0.07 0.00 -1.53 0.00 0.00 36.38 34.67 3k4x s VAL 225 CO 0.13 0.16 0.76 -0.83 -3.33 0.00 0.00 175.10 171.99 3k4x s GLY 226 N 2.02 2.84 -0.08 6.54 0.00 0.46 -2.37 107.32 116.73 3k4x s GLY 226 Ca 0.03 0.30 0.02 0.00 0.00 0.00 0.00 44.72 45.07 3k4x s GLY 226 CO -0.03 0.97 -0.11 -0.42 0.00 0.00 0.00 173.10 173.50 3k4x s ILE 227 N -0.57 1.13 -0.15 0.90 1.01 0.18 -0.39 121.20 123.31 3k4x s ILE 227 Ca 0.37 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.58 3k4x s ILE 227 Cb -0.22 -1.06 0.03 0.00 0.01 0.00 0.00 42.46 41.22 3k4x s ILE 227 CO 0.24 0.36 -0.13 -0.13 0.00 0.00 0.00 174.94 175.28 3k4x s ARG 228 N 0.93 2.24 0.08 2.79 0.52 0.26 -0.54 118.95 125.23 3k4x s ARG 228 Ca -0.09 -0.59 0.06 0.00 -0.52 0.00 0.00 55.73 54.59 3k4x s ARG 228 Cb -0.15 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.15 3k4x s ARG 228 CO 0.00 -0.27 -0.11 -0.51 0.02 0.00 0.00 175.30 174.44 3k4x s LEU 229 N 1.48 2.98 -0.20 2.53 1.43 0.11 -0.43 118.68 126.58 3k4x s LEU 229 Ca 0.04 -0.36 -0.19 0.00 -1.03 0.00 0.00 54.13 52.60 3k4x s LEU 229 Cb -0.13 -1.77 0.05 0.00 0.03 0.00 0.00 46.19 44.37 3k4x s LEU 229 CO -0.10 0.21 0.54 -0.55 0.23 0.00 0.00 176.35 176.67 3k4x s SER 230 N -1.95 -0.56 0.00 2.29 0.15 -1.26 -1.00 113.70 111.37 3k4x s SER 230 Ca 0.19 1.08 0.27 0.00 0.70 0.00 0.00 55.95 58.20 3k4x s SER 230 Cb -0.11 1.10 1.33 0.00 -1.71 0.00 0.00 66.02 66.63 3k4x s SER 230 CO 0.11 -0.19 1.91 -1.54 1.20 0.00 0.00 173.24 174.73 3k4x n SER 231 N 2.78 0.00 0.00 5.45 3.41 -1.26 -3.39 113.62 120.61 3k4x n SER 231 Ca -0.14 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 3k4x n SER 231 Cb 0.56 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 3k4x n SER 231 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3k4x n GLU 232 N -1.30 5.08 -4.27 4.33 -0.58 -1.26 -5.07 120.64 117.57 3k4x n GLU 232 Ca 0.12 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.71 3k4x n GLU 232 Cb 0.22 -0.63 -0.10 0.00 -0.57 0.00 0.00 31.44 30.36 3k4x n GLU 232 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3k4x s ALA 233 N -1.27 1.59 0.37 0.62 0.00 -1.22 -5.13 121.76 116.72 3k4x s ALA 233 Ca 0.00 -1.51 -0.28 0.00 0.00 0.00 0.00 51.96 50.17 3k4x s ALA 233 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 23.12 23.02 3k4x s ALA 233 CO 0.00 -0.04 1.46 -2.14 0.00 0.00 0.00 175.76 175.03 3k4x s PRO 234 N -3.62 4.15 0.48 0.00 0.02 -1.26 -4.26 135.00 130.51 3k4x s PRO 234 Ca 0.17 2.51 -0.23 0.00 0.02 0.00 0.00 61.00 63.47 3k4x s PRO 234 Cb 0.01 -2.99 -0.07 0.00 0.02 0.00 0.00 34.50 31.47 3k4x s PRO 234 CO 0.02 -0.47 1.23 0.00 -0.33 0.00 0.00 177.00 177.45 3k4x s ALA 235 N -1.10 2.96 -0.28 -1.55 0.00 0.86 -4.75 121.76 117.90 3k4x s ALA 235 Ca 0.52 1.06 -0.04 0.00 0.00 0.00 0.00 51.96 53.51 3k4x s ALA 235 Cb -0.45 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.25 3k4x s ALA 235 CO 0.61 -0.85 0.01 -1.17 0.00 0.00 0.00 175.76 174.35 3k4x s LEU 236 N -3.09 3.59 -0.37 0.00 0.20 0.43 -1.62 118.68 117.81 3k4x s LEU 236 Ca 0.65 -0.88 -0.10 0.00 0.69 0.00 0.00 54.13 54.49 3k4x s LEU 236 Cb -0.32 -1.76 0.04 0.00 -0.43 0.00 0.00 46.19 43.71 3k4x s LEU 236 CO 0.39 -0.18 0.19 -0.36 -0.29 0.00 0.00 176.35 176.11 3k4x s PHE 237 N 1.38 3.26 -0.11 5.38 0.40 0.09 -0.57 117.98 127.81 3k4x s PHE 237 Ca 0.00 -1.16 0.03 0.00 -0.60 0.00 0.00 56.93 55.21 3k4x s PHE 237 Cb -0.17 -2.48 0.01 0.00 0.51 0.00 0.00 43.02 40.88 3k4x s PHE 237 CO -0.01 -0.70 -0.21 -1.14 0.70 0.00 0.00 175.22 173.86 3k4x s GLN 238 N 1.50 2.80 -0.40 0.44 0.74 0.47 -0.11 119.66 125.10 3k4x s GLN 238 Ca 0.01 -0.79 -0.06 0.00 0.05 0.00 0.00 55.36 54.57 3k4x s GLN 238 Cb -0.20 -2.18 0.08 0.00 1.10 0.00 0.00 33.01 31.81 3k4x s GLN 238 CO 0.05 0.09 0.20 -0.06 -0.55 0.00 0.00 175.29 175.03 3k4x s PHE 239 N 0.55 3.40 0.33 1.67 0.08 -0.06 -0.41 117.98 123.54 3k4x s PHE 239 Ca -0.14 -1.85 -0.27 0.00 0.12 0.00 0.00 56.93 54.78 3k4x s PHE 239 Cb -0.17 -2.91 -0.09 0.00 -0.57 0.00 0.00 43.02 39.27 3k4x s PHE 239 CO 0.05 -0.88 1.10 -0.51 -0.10 0.00 0.00 175.22 174.88 3k4x s ASP 240 N 1.91 7.02 0.13 1.36 1.11 -1.26 -1.60 116.67 125.33 3k4x s ASP 240 Ca 0.03 2.24 0.04 0.00 0.18 0.00 0.00 52.55 55.04 3k4x s ASP 240 Cb -0.22 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.11 3k4x s ASP 240 CO -0.00 -0.32 -0.10 -1.48 1.18 0.00 0.00 175.17 174.45 3k4x s LEU 241 N -1.91 2.48 -0.33 1.23 0.05 -1.00 -4.45 118.68 114.76 3k4x s LEU 241 Ca 0.50 -0.94 -0.35 0.00 0.05 0.00 0.00 54.13 53.39 3k4x s LEU 241 Cb -0.30 -0.32 -0.11 0.00 -2.05 0.00 0.00 46.19 43.41 3k4x s LEU 241 CO 0.38 -0.31 2.16 1.17 -0.55 0.00 0.00 176.35 179.20 3k4x n LYS 242 N 0.09 1.15 -3.04 1.48 4.81 -1.26 -1.63 118.16 119.76 3k4x n LYS 242 Ca -0.12 0.32 -0.13 0.00 -0.87 0.00 0.00 58.31 57.51 3k4x n LYS 242 Cb 0.60 -2.48 0.06 0.00 0.02 0.00 0.00 35.03 33.23 3k4x n LYS 242 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3k4x n SER 243 N 9.60 -5.55 0.00 3.14 2.88 -1.26 -4.16 113.62 118.27 3k4x n SER 243 Ca 0.40 -0.60 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 3k4x n SER 243 Cb 0.23 -4.56 0.00 0.00 -0.75 0.00 0.00 64.21 59.13 3k4x n SER 243 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3k4x n GLY 244 N -1.25 -0.89 3.65 0.46 0.00 -0.64 0.25 105.19 106.76 3k4x n GLY 244 Ca -0.08 -1.31 -0.02 0.00 0.00 0.00 0.00 46.02 44.61 3k4x n GLY 244 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3k4x s PHE 245 N -2.89 -0.01 -0.17 1.61 -0.12 0.31 -2.38 117.98 114.34 3k4x s PHE 245 Ca 0.00 0.01 -0.01 0.00 -0.05 0.00 0.00 56.93 56.88 3k4x s PHE 245 Cb 0.00 0.50 -0.00 0.00 -0.63 0.00 0.00 43.02 42.89 3k4x s PHE 245 CO 0.00 -0.01 -0.12 -1.17 -0.05 0.00 0.00 175.22 173.87 3k4x s LEU 246 N -1.70 2.63 -0.06 -1.99 2.96 -0.63 -1.23 118.68 118.66 3k4x s LEU 246 Ca 0.11 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.63 3k4x s LEU 246 Cb -0.01 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 3k4x s LEU 246 CO -0.04 0.06 -0.19 -1.10 -1.32 0.00 0.00 176.35 173.76 3k4x s GLN 247 N 0.99 2.61 -0.22 1.98 -0.21 0.14 -0.89 119.66 124.08 3k4x s GLN 247 Ca -0.01 -0.79 -0.02 0.00 0.02 0.00 0.00 55.36 54.57 3k4x s GLN 247 Cb -0.15 -2.31 0.01 0.00 1.00 0.00 0.00 33.01 31.56 3k4x s GLN 247 CO -0.02 0.48 -0.10 -0.06 -2.12 0.00 0.00 175.29 173.47 3k4x s PHE 248 N -0.37 2.95 -0.23 0.91 0.40 0.84 -0.54 117.98 121.94 3k4x s PHE 248 Ca 0.03 -1.39 -0.10 0.00 -0.60 0.00 0.00 56.93 54.88 3k4x s PHE 248 Cb -0.12 -2.03 -0.05 0.00 0.51 0.00 0.00 43.02 41.33 3k4x s PHE 248 CO 0.02 -0.69 0.14 -0.06 0.70 0.00 0.00 175.22 175.32 3k4x s PHE 249 N 1.36 3.29 -0.04 0.36 0.40 0.62 -0.73 117.98 123.24 3k4x s PHE 249 Ca 0.03 0.15 -0.00 0.00 -0.60 0.00 0.00 56.93 56.51 3k4x s PHE 249 Cb -0.15 -2.24 0.03 0.00 0.51 0.00 0.00 43.02 41.17 3k4x s PHE 249 CO -0.07 0.04 -0.00 -1.17 0.70 0.00 0.00 175.22 174.73 3k4x s LEU 250 N 1.00 0.97 0.04 -0.37 2.96 -0.64 -1.83 118.68 120.81 3k4x s LEU 250 Ca 0.07 -0.05 -0.24 0.00 -0.22 0.00 0.00 54.13 53.68 3k4x s LEU 250 Cb -0.13 -0.31 -0.05 0.00 0.50 0.00 0.00 46.19 46.19 3k4x s LEU 250 CO 0.04 -0.13 0.74 0.00 -1.32 0.00 0.00 176.35 175.69 3k4x s ALA 251 N 1.32 3.38 0.98 5.97 0.00 -1.26 -0.10 121.76 132.06 3k4x s ALA 251 Ca -0.05 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.04 3k4x s ALA 251 Cb -0.13 -2.97 0.18 0.00 0.00 0.00 0.00 23.12 20.20 3k4x s ALA 251 CO -0.02 0.08 1.09 -2.14 0.00 0.00 0.00 175.76 174.76 3k4x s PRO 252 N -0.06 0.51 0.00 0.00 0.02 -1.26 -4.87 135.00 129.34 3k4x s PRO 252 Ca 0.38 1.08 0.00 0.00 0.02 0.00 0.00 61.00 62.47 3k4x s PRO 252 Cb -0.20 -1.70 0.00 0.00 0.02 0.00 0.00 34.50 32.62 3k4x s PRO 252 CO 0.22 -2.83 0.00 1.63 -0.33 0.00 0.00 177.00 175.69 3k4x n LYS 253 N -4.32 0.00 -1.49 5.54 5.02 0.49 -4.97 118.16 118.43 3k4x n LYS 253 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3k4x n LYS 253 Cb 0.54 -0.15 0.00 0.00 -0.02 0.00 0.00 35.03 35.39 3k4x n LYS 253 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3k4x n LEU 269 N -0.53 0.00 -3.68 -0.35 7.94 -1.24 -4.65 117.00 114.50 3k4x n LEU 269 Ca 0.00 0.99 -0.20 0.00 -1.11 0.00 0.00 56.01 55.69 3k4x n LEU 269 Cb 0.00 -1.49 -0.18 0.00 0.53 0.00 0.00 43.42 42.28 3k4x n LEU 269 CO 0.00 -0.27 -0.34 -1.83 -1.11 0.00 0.00 177.39 173.84 3k4x s GLU 270 N -0.45 -0.02 -0.19 1.96 -1.05 -0.97 -2.10 118.70 115.88 3k4x s GLU 270 Ca 0.00 0.34 0.01 0.00 -0.15 0.00 0.00 54.97 55.17 3k4x s GLU 270 Cb 0.00 -0.60 0.02 0.00 -0.44 0.00 0.00 34.13 33.11 3k4x s GLU 270 CO 0.00 -0.34 -0.18 0.00 0.95 0.00 0.00 175.26 175.69 3k4x s ALA 271 N 2.15 2.39 -0.17 -0.84 0.00 -0.95 -2.48 121.76 121.87 3k4x s ALA 271 Ca 0.05 -1.24 -0.03 0.00 0.00 0.00 0.00 51.96 50.74 3k4x s ALA 271 Cb -0.12 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.72 3k4x s ALA 271 CO -0.03 -0.40 -0.06 0.21 0.00 0.00 0.00 175.76 175.47 3k4x s LYS 272 N 1.30 3.48 -0.09 0.00 2.20 0.34 -0.72 119.74 126.26 3k4x s LYS 272 Ca 0.04 -0.61 -0.13 0.00 -0.36 0.00 0.00 55.97 54.92 3k4x s LYS 272 Cb -0.13 -2.88 -0.05 0.00 -1.51 0.00 0.00 37.83 33.26 3k4x s LYS 272 CO -0.12 0.06 0.32 -0.06 -0.36 0.00 0.00 175.35 175.20 3k4x s PHE 273 N 0.80 3.60 0.14 4.03 0.08 0.94 -0.90 117.98 126.68 3k4x s PHE 273 Ca -0.02 0.76 -0.17 0.00 0.12 0.00 0.00 56.93 57.61 3k4x s PHE 273 Cb -0.15 -2.26 -0.01 0.00 -0.57 0.00 0.00 43.02 40.03 3k4x s PHE 273 CO 0.02 0.49 1.80 1.49 -0.10 0.00 0.00 175.22 178.92 3k4x h GLU 274 N 5.58 0.45 -5.39 0.44 4.81 -1.87 -3.20 114.58 115.38 3k4x h GLU 274 Ca -0.48 -0.03 -0.68 0.00 -0.13 0.00 0.00 59.36 58.05 3k4x h GLU 274 Cb 1.20 -0.10 -0.32 0.00 0.63 0.00 0.00 28.75 30.16 3k4x h GLU 274 CO 0.67 0.30 -0.86 -1.21 -0.73 0.00 0.00 179.01 177.17 3k4x s GLU 275 N -6.16 3.06 0.49 1.92 0.41 -1.26 -4.50 118.70 112.66 3k4x s GLU 275 Ca -0.13 -0.85 0.28 0.00 -0.41 0.00 0.00 54.97 53.86 3k4x s GLU 275 Cb 0.10 -2.35 1.13 0.00 -1.78 0.00 0.00 34.13 31.23 3k4x s GLU 275 CO 0.71 0.20 1.90 0.00 -0.49 0.00 0.00 175.26 177.59 3k4x h ALA 276 N 6.65 1.04 -0.30 5.21 0.00 -0.14 -3.11 119.26 128.61 3k4x h ALA 276 Ca -0.21 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.63 3k4x h ALA 276 Cb 1.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3k4x h ALA 276 CO 0.48 0.17 0.21 0.66 0.00 0.00 0.00 179.25 180.77 3k4x h SER 277 N 0.00 0.11 0.63 0.00 4.64 -0.44 -2.65 113.55 115.84 3k4x h SER 277 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3k4x h SER 277 Cb 0.63 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3k4x h SER 277 CO 0.02 0.07 -0.33 0.25 -0.87 0.00 0.00 176.83 175.97 3k4x h LEU 278 N 0.12 -0.79 -0.81 5.97 5.85 -1.83 0.00 115.31 123.83 3k4x h LEU 278 Ca 0.14 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.94 3k4x h LEU 278 Cb 0.39 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 3k4x h LEU 278 CO -0.02 -0.54 0.50 0.15 -0.34 0.00 0.00 178.44 178.20 3k4x h PHE 279 N -0.88 0.93 0.06 1.25 3.57 -1.69 -0.08 116.94 120.10 3k4x h PHE 279 Ca -0.08 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.46 3k4x h PHE 279 Cb 0.69 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 3k4x h PHE 279 CO -0.05 0.50 -0.12 0.87 -2.23 0.00 0.00 178.31 177.27 3k4x h LYS 280 N 0.94 -0.23 -0.84 1.11 1.57 -1.39 -0.59 116.57 117.14 3k4x h LYS 280 Ca 0.34 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.24 3k4x h LYS 280 Cb 0.11 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 3k4x h LYS 280 CO -0.15 -0.15 0.55 0.00 -0.57 0.00 0.00 179.45 179.12 3k4x h ARG 281 N -0.24 0.76 0.19 3.15 3.08 -0.10 0.39 114.38 121.61 3k4x h ARG 281 Ca 0.03 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3k4x h ARG 281 Cb 0.26 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3k4x h ARG 281 CO -0.08 0.50 -0.09 0.82 -1.07 0.00 0.00 179.97 180.05 3k4x h ILE 282 N 0.78 0.92 -0.53 2.04 2.04 -0.55 -2.95 117.51 119.26 3k4x h ILE 282 Ca 0.39 -0.74 0.04 0.00 1.00 0.00 0.00 64.86 65.55 3k4x h ILE 282 Cb 0.46 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 3k4x h ILE 282 CO -0.16 0.16 0.35 0.40 0.00 0.00 0.00 178.15 178.90 3k4x h ILE 283 N -0.63 1.04 -0.50 -0.67 1.08 -0.68 -1.61 117.51 115.53 3k4x h ILE 283 Ca -0.03 -0.19 -0.02 0.00 -0.39 0.00 0.00 64.86 64.23 3k4x h ILE 283 Cb 0.46 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 3k4x h ILE 283 CO 0.04 0.10 0.22 0.44 -0.69 0.00 0.00 178.15 178.27 3k4x h ASP 284 N 0.56 0.64 1.39 1.72 5.19 -0.88 0.19 116.42 125.24 3k4x h ASP 284 Ca 0.22 -0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.53 3k4x h ASP 284 Cb 0.16 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.50 3k4x h ASP 284 CO -0.06 0.57 -0.15 1.23 -3.12 0.00 0.00 179.24 177.71 3k4x h GLY 285 N 0.84 0.00 0.00 2.75 0.00 -1.13 -3.35 103.07 102.18 3k4x h GLY 285 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 3k4x h GLY 285 CO -0.02 0.00 -0.18 0.74 0.00 0.00 0.00 176.54 177.08 3k4x h PHE 286 N 0.00 0.00 -3.49 5.60 -1.00 -0.70 -3.44 116.94 113.92 3k4x h PHE 286 Ca -0.00 0.00 -0.50 0.00 2.81 0.00 0.00 57.97 60.27 3k4x h PHE 286 Cb 0.88 0.00 0.21 0.00 3.61 0.00 0.00 35.95 40.66 3k4x h PHE 286 CO 0.00 0.02 -0.33 0.36 -1.61 0.00 0.00 178.31 176.75 3k4x n LYS 287 N -4.72 -0.85 0.00 1.51 2.85 0.53 -2.46 118.16 115.02 3k4x n LYS 287 Ca -0.03 -0.20 0.00 0.00 -1.05 0.00 0.00 58.31 57.03 3k4x n LYS 287 Cb 0.10 -2.04 0.00 0.00 -0.65 0.00 0.00 35.03 32.44 3k4x n LYS 287 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3k4x n ASP 288 N -2.79 0.00 0.00 -5.58 8.00 -1.26 -4.52 116.55 110.40 3k4x n ASP 288 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 3k4x n ASP 288 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 3k4x n ASP 288 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k4x s VAL 290 N -1.17 0.01 0.00 0.00 -7.23 -1.03 -3.87 120.40 107.11 3k4x s VAL 290 Ca 0.00 -0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.06 3k4x s VAL 290 Cb 0.00 -0.05 0.00 0.00 0.56 0.00 0.00 36.38 36.89 3k4x s VAL 290 CO 0.00 -0.06 0.05 0.00 -0.31 0.00 0.00 175.10 174.78 3k4x n GLN 291 N 2.89 0.00 -4.17 4.82 6.02 -1.26 -4.39 117.38 121.29 3k4x n GLN 291 Ca -0.13 0.49 -0.17 0.00 -0.01 0.00 0.00 57.00 57.17 3k4x n GLN 291 Cb 0.59 -1.01 -0.12 0.00 1.02 0.00 0.00 30.24 30.73 3k4x n GLN 291 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 3k4x s LEU 292 N -3.93 2.32 -0.07 1.08 0.05 -1.26 -2.57 118.68 114.30 3k4x s LEU 292 Ca 0.00 -0.68 -0.12 0.00 0.05 0.00 0.00 54.13 53.39 3k4x s LEU 292 Cb 0.00 -0.45 0.02 0.00 -2.05 0.00 0.00 46.19 43.72 3k4x s LEU 292 CO 0.00 -0.13 0.29 0.54 -0.55 0.00 0.00 176.35 176.49 3k4x s VAL 293 N -1.63 0.03 -0.21 1.48 0.11 -0.97 -4.97 120.40 114.23 3k4x s VAL 293 Ca 0.00 -0.24 -0.28 0.00 -2.93 0.00 0.00 61.98 58.53 3k4x s VAL 293 Cb -0.08 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.28 3k4x s VAL 293 CO 0.02 -0.13 0.98 0.20 -3.33 0.00 0.00 175.10 172.84 3k4x s ASN 294 N -0.53 7.06 -0.63 3.54 0.01 -1.26 -2.52 114.94 120.62 3k4x s ASN 294 Ca -0.06 1.33 -0.22 0.00 -0.71 0.00 0.00 52.86 53.19 3k4x s ASN 294 Cb -0.04 -2.52 0.07 0.00 0.41 0.00 0.00 41.25 39.17 3k4x s ASN 294 CO 0.02 -0.59 0.93 -0.36 -1.51 0.00 0.00 177.10 175.58 3k4x s PHE 295 N 2.90 2.73 -0.34 2.20 0.08 0.43 -4.37 117.98 121.61 3k4x s PHE 295 Ca 0.43 -0.46 -0.28 0.00 0.12 0.00 0.00 56.93 56.73 3k4x s PHE 295 Cb -0.16 -4.19 0.02 0.00 -0.57 0.00 0.00 43.02 38.12 3k4x s PHE 295 CO 0.08 -1.54 1.05 -0.65 -0.10 0.00 0.00 175.22 174.06 3k4x s GLN 296 N 3.90 4.01 -0.16 0.44 -0.21 0.32 -1.82 119.66 126.13 3k4x s GLN 296 Ca 0.23 0.96 -0.05 0.00 0.02 0.00 0.00 55.36 56.52 3k4x s GLN 296 Cb -0.16 -3.76 -0.03 0.00 1.00 0.00 0.00 33.01 30.06 3k4x s GLN 296 CO 0.12 -0.93 -0.00 0.00 -2.12 0.00 0.00 175.29 172.36 3k4x s LYS 298 N 0.29 1.59 0.53 0.00 1.02 0.39 -2.17 119.74 121.38 3k4x s LYS 298 Ca -0.01 -1.90 0.18 0.00 0.02 0.00 0.00 55.97 54.26 3k4x s LYS 298 Cb -0.13 0.11 1.33 0.00 -0.52 0.00 0.00 37.83 38.61 3k4x s LYS 298 CO 0.02 -0.51 2.16 0.93 -0.92 0.00 0.00 175.35 177.02 3k4x h GLU 299 N 2.25 0.00 -0.33 1.68 3.07 -1.94 -1.87 114.58 117.44 3k4x h GLU 299 Ca -0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 3k4x h GLU 299 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 3k4x h GLU 299 CO 0.47 0.01 0.00 -0.40 -1.40 0.00 0.00 179.01 177.68 3k4x n ASP 300 N -4.45 2.48 0.00 1.42 5.68 -1.26 -4.88 116.55 115.54 3k4x n ASP 300 Ca -0.03 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 3k4x n ASP 300 Cb 0.09 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 3k4x n ASP 300 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k4x n GLY 301 N 1.28 0.71 3.19 6.12 0.00 -0.70 -3.76 105.19 112.02 3k4x n GLY 301 Ca 0.17 -2.00 -0.27 0.00 0.00 0.00 0.00 46.02 43.92 3k4x n GLY 301 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4x s ILE 302 N -1.77 1.61 0.08 -0.61 1.01 -0.23 -0.46 121.20 120.84 3k4x s ILE 302 Ca 0.00 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 59.87 3k4x s ILE 302 Cb 0.00 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 3k4x s ILE 302 CO 0.00 0.46 -0.14 0.27 0.00 0.00 0.00 174.94 175.53 3k4x s ILE 303 N -0.16 1.15 -0.17 2.92 -4.36 -0.28 0.17 121.20 120.47 3k4x s ILE 303 Ca -0.00 -1.39 -0.10 0.00 -0.26 0.00 0.00 60.65 58.90 3k4x s ILE 303 Cb -0.11 -1.16 0.06 0.00 1.25 0.00 0.00 42.46 42.50 3k4x s ILE 303 CO 0.02 -0.26 0.42 0.00 0.24 0.00 0.00 174.94 175.36 3k4x s ALA 304 N -1.45 -1.09 -0.06 2.27 0.00 -0.64 -0.52 121.76 120.28 3k4x s ALA 304 Ca 0.00 1.55 0.03 0.00 0.00 0.00 0.00 51.96 53.54 3k4x s ALA 304 Cb -0.09 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.10 3k4x s ALA 304 CO 0.02 -0.27 -0.16 -0.65 0.00 0.00 0.00 175.76 174.71 3k4x s GLN 305 N 1.33 1.90 -0.03 0.00 -0.21 -1.26 -1.35 119.66 120.05 3k4x s GLN 305 Ca -0.09 -0.57 -0.06 0.00 0.02 0.00 0.00 55.36 54.66 3k4x s GLN 305 Cb -0.08 -1.58 0.01 0.00 1.00 0.00 0.00 33.01 32.36 3k4x s GLN 305 CO -0.12 0.15 0.15 0.00 -2.12 0.00 0.00 175.29 173.35 3k4x s ALA 306 N 0.31 -0.36 0.12 6.09 0.00 -0.55 -4.70 121.76 122.67 3k4x s ALA 306 Ca -0.10 0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.10 3k4x s ALA 306 Cb -0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 3k4x s ALA 306 CO 0.04 -0.14 -0.00 0.14 0.00 0.00 0.00 175.76 175.80 3k4x s VAL 307 N -0.59 3.89 1.07 0.00 -7.23 -1.26 0.53 120.40 116.81 3k4x s VAL 307 Ca -0.07 -1.14 -0.16 0.00 -1.81 0.00 0.00 61.98 58.81 3k4x s VAL 307 Cb -0.04 -2.89 0.23 0.00 0.56 0.00 0.00 36.38 34.24 3k4x s VAL 307 CO 0.01 0.05 1.15 1.51 -0.31 0.00 0.00 175.10 177.51 3k4x s ASP 308 N -2.50 2.10 0.17 4.85 -4.77 -0.71 -4.77 116.67 111.03 3k4x s ASP 308 Ca 0.26 0.72 -0.18 0.00 -3.30 0.00 0.00 52.55 50.04 3k4x s ASP 308 Cb -0.11 -1.06 0.10 0.00 -1.09 0.00 0.00 42.92 40.76 3k4x s ASP 308 CO 0.18 -3.40 1.65 0.44 0.70 0.00 0.00 175.17 174.73 3k4x h ASP 309 N -2.09 -0.57 0.45 2.11 3.32 -1.93 -0.43 116.42 117.28 3k4x h ASP 309 Ca -0.48 0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3k4x h ASP 309 Cb 1.30 0.32 0.00 0.00 0.22 0.00 0.00 39.33 41.17 3k4x h ASP 309 CO 0.44 -0.20 0.00 -1.54 -1.72 0.00 0.00 179.24 176.22 3k4x n SER 310 N -5.36 0.00 -2.22 6.45 3.41 -1.26 -4.90 113.62 109.74 3k4x n SER 310 Ca 0.02 -0.05 -0.18 0.00 -0.26 0.00 0.00 58.87 58.40 3k4x n SER 310 Cb 0.27 -0.29 0.01 0.00 -0.26 0.00 0.00 64.21 63.94 3k4x n SER 310 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3k4x n ARG 311 N -1.29 -2.67 -0.00 4.33 1.74 -0.17 -4.87 116.66 113.72 3k4x n ARG 311 Ca 0.11 0.79 0.05 0.00 -0.77 0.00 0.00 57.85 58.03 3k4x n ARG 311 Cb 0.19 -5.28 -0.08 0.00 -1.02 0.00 0.00 32.46 26.28 3k4x n ARG 311 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3k4x n VAL 312 N -4.15 0.00 -3.94 1.55 0.24 -1.26 -4.93 118.33 105.84 3k4x n VAL 312 Ca -0.15 -0.24 -0.35 0.00 -2.04 0.00 0.00 64.34 61.57 3k4x n VAL 312 Cb 0.63 0.39 -0.14 0.00 -1.47 0.00 0.00 33.84 33.24 3k4x n VAL 312 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3k4x s LEU 313 N -3.51 3.45 -0.13 1.34 2.96 -1.26 -2.92 118.68 118.62 3k4x s LEU 313 Ca -0.03 -1.02 -0.11 0.00 -0.22 0.00 0.00 54.13 52.76 3k4x s LEU 313 Cb 0.07 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 45.03 3k4x s LEU 313 CO 0.42 -0.18 0.22 -0.22 -1.32 0.00 0.00 176.35 175.27 3k4x s LEU 314 N 1.30 4.33 -0.18 -0.68 2.96 0.13 -1.75 118.68 124.79 3k4x s LEU 314 Ca -0.02 0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 54.37 3k4x s LEU 314 Cb -0.18 -2.23 -0.01 0.00 0.50 0.00 0.00 46.19 44.26 3k4x s LEU 314 CO -0.03 0.27 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.50 3k4x s VAL 315 N -0.35 3.35 -0.26 1.68 1.01 0.19 -0.69 120.40 125.32 3k4x s VAL 315 Ca 0.15 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.61 3k4x s VAL 315 Cb -0.13 -2.48 0.07 0.00 0.00 0.00 0.00 36.38 33.85 3k4x s VAL 315 CO 0.04 0.47 0.00 -0.55 0.00 0.00 0.00 175.10 175.06 3k4x s SER 316 N 0.94 3.93 -0.09 3.32 0.15 0.41 -1.48 113.70 120.88 3k4x s SER 316 Ca -0.01 -1.38 -0.02 0.00 0.70 0.00 0.00 55.95 55.24 3k4x s SER 316 Cb -0.15 -1.12 -0.03 0.00 -1.71 0.00 0.00 66.02 63.01 3k4x s SER 316 CO 0.00 -0.30 -0.00 -0.22 1.20 0.00 0.00 173.24 173.92 3k4x s LEU 317 N 1.42 3.56 -0.22 3.45 2.96 -0.45 0.34 118.68 129.73 3k4x s LEU 317 Ca 0.00 0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 53.99 3k4x s LEU 317 Cb -0.18 -1.82 0.08 0.00 0.50 0.00 0.00 46.19 44.76 3k4x s LEU 317 CO -0.11 0.36 0.10 -0.70 -1.32 0.00 0.00 176.35 174.68 3k4x s GLU 318 N -0.76 0.20 -0.38 1.98 -6.30 -0.41 -1.62 118.70 111.42 3k4x s GLU 318 Ca 0.12 -0.32 -0.14 0.00 -2.50 0.00 0.00 54.97 52.13 3k4x s GLU 318 Cb -0.12 -1.63 0.01 0.00 0.00 0.00 0.00 34.13 32.39 3k4x s GLU 318 CO 0.02 -0.81 0.27 0.42 0.02 0.00 0.00 175.26 175.19 3k4x s ILE 319 N 2.07 5.22 0.71 -3.70 1.01 0.13 -1.44 121.20 125.20 3k4x s ILE 319 Ca 0.05 -0.49 -0.11 0.00 0.00 0.00 0.00 60.65 60.09 3k4x s ILE 319 Cb -0.16 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.51 3k4x s ILE 319 CO -0.20 -0.18 1.07 -0.83 0.00 0.00 0.00 174.94 174.80 3k4x s GLY 320 N 1.69 1.66 0.36 6.18 0.00 0.03 -1.06 107.32 116.17 3k4x s GLY 320 Ca 0.05 0.02 0.04 0.00 0.00 0.00 0.00 44.72 44.83 3k4x s GLY 320 CO 0.10 0.35 1.97 -2.08 0.00 0.00 0.00 173.10 173.44 3k4x h VAL 321 N -0.78 1.16 0.00 1.40 2.07 -1.82 -1.96 116.25 116.32 3k4x h VAL 321 Ca -0.44 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 66.64 3k4x h VAL 321 Cb 1.22 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3k4x h VAL 321 CO 0.57 0.18 0.00 -0.33 0.02 0.00 0.00 177.57 178.02 3k4x h GLU 322 N 0.68 0.00 0.00 1.57 4.39 -1.89 0.07 114.58 119.40 3k4x h GLU 322 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 3k4x h GLU 322 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3k4x h GLU 322 CO -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.82 3k4x h ALA 323 N 2.06 1.00 -2.60 3.43 0.00 -1.47 -3.45 119.26 118.23 3k4x h ALA 323 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 3k4x h ALA 323 Cb 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3k4x h ALA 323 CO 0.00 0.00 -0.25 -0.06 0.00 0.00 0.00 179.25 178.94 3k4x s PHE 324 N -3.18 3.47 0.19 0.00 0.08 0.01 -4.74 117.98 113.81 3k4x s PHE 324 Ca 0.09 0.60 0.04 0.00 0.12 0.00 0.00 56.93 57.77 3k4x s PHE 324 Cb 0.10 -2.05 0.10 0.00 -0.57 0.00 0.00 43.02 40.59 3k4x s PHE 324 CO 0.60 0.35 1.45 0.37 -0.10 0.00 0.00 175.22 177.89 3k4x h GLN 325 N 2.43 0.19 -2.17 0.44 4.15 -1.30 -3.45 115.11 115.40 3k4x h GLN 325 Ca -0.47 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 58.76 3k4x h GLN 325 Cb 1.17 0.04 -0.22 0.00 0.21 0.00 0.00 27.48 28.68 3k4x h GLN 325 CO 0.70 0.87 -0.06 -2.00 -1.93 0.00 0.00 178.83 176.41 3k4x s GLU 326 N -3.40 0.63 -0.04 1.69 2.12 -1.14 -5.02 118.70 113.53 3k4x s GLU 326 Ca -0.03 1.11 -0.02 0.00 0.36 0.00 0.00 54.97 56.39 3k4x s GLU 326 Cb 0.11 0.10 0.03 0.00 0.26 0.00 0.00 34.13 34.63 3k4x s GLU 326 CO 0.81 -0.15 0.10 -0.47 -0.54 0.00 0.00 175.26 175.01 3k4x s TYR 327 N 1.57 -0.09 -0.08 5.30 5.04 -1.26 -0.50 117.35 127.33 3k4x s TYR 327 Ca -0.10 0.32 -0.10 0.00 -2.44 0.00 0.00 57.07 54.74 3k4x s TYR 327 Cb -0.06 -0.11 0.02 0.00 0.35 0.00 0.00 41.96 42.17 3k4x s TYR 327 CO -0.18 -0.12 0.28 -0.98 -1.34 0.00 0.00 175.55 173.21 3k4x s ARG 328 N 0.89 0.40 -0.03 4.97 1.70 -1.03 -5.04 118.95 120.80 3k4x s ARG 328 Ca -0.07 0.24 -0.01 0.00 -0.47 0.00 0.00 55.73 55.42 3k4x s ARG 328 Cb -0.09 0.19 0.03 0.00 -0.57 0.00 0.00 34.95 34.50 3k4x s ARG 328 CO -0.04 -0.07 0.04 0.00 -1.08 0.00 0.00 175.30 174.16 3k4x h ASP 330 N 7.95 0.64 -4.83 0.00 3.32 -1.98 -3.45 116.42 118.08 3k4x h ASP 330 Ca -0.26 -0.71 -0.11 0.00 0.02 0.00 0.00 57.03 55.97 3k4x h ASP 330 Cb 1.12 -0.21 -0.20 0.00 0.22 0.00 0.00 39.33 40.26 3k4x h ASP 330 CO 0.29 1.56 -0.20 -1.38 -1.72 0.00 0.00 179.24 177.80 3k4x s HIS 331 N -2.62 -0.29 0.03 4.55 -3.43 -1.26 -5.08 115.29 107.18 3k4x s HIS 331 Ca -0.08 0.52 -0.32 0.00 -0.80 0.00 0.00 55.06 54.39 3k4x s HIS 331 Cb 0.05 0.15 -0.11 0.00 -1.43 0.00 0.00 32.58 31.25 3k4x s HIS 331 CO 0.91 -0.40 1.88 -2.30 -2.00 0.00 0.00 174.74 172.83 3k4x n PRO 332 N 1.44 2.57 -4.59 -0.38 -0.02 -1.26 -4.87 135.00 127.89 3k4x n PRO 332 Ca -0.20 0.94 -0.24 0.00 -2.02 0.00 0.00 63.50 61.98 3k4x n PRO 332 Cb 0.56 -2.83 -0.14 0.00 -0.02 0.00 0.00 33.50 31.07 3k4x n PRO 332 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3k4x s VAL 333 N 3.66 1.54 -0.24 -1.45 -7.23 -0.92 -4.99 120.40 110.76 3k4x s VAL 333 Ca 0.88 -1.13 -0.03 0.00 -1.81 0.00 0.00 61.98 59.89 3k4x s VAL 333 Cb -0.55 -1.34 0.01 0.00 0.56 0.00 0.00 36.38 35.06 3k4x s VAL 333 CO 0.44 0.18 -0.04 -0.89 -0.31 0.00 0.00 175.10 174.47 3k4x s THR 334 N -0.79 3.15 -0.40 5.32 2.01 -1.26 -0.69 115.64 122.99 3k4x s THR 334 Ca 0.06 -0.81 -0.14 0.00 0.31 0.00 0.00 61.69 61.11 3k4x s THR 334 Cb -0.08 -2.55 0.02 0.00 0.01 0.00 0.00 72.50 69.90 3k4x s THR 334 CO 0.02 0.26 0.27 -0.76 -0.69 0.00 0.00 174.62 173.71 3k4x s LEU 335 N 1.40 4.97 -0.15 4.42 2.01 -0.76 -4.91 118.68 125.66 3k4x s LEU 335 Ca 0.02 -0.91 -0.27 0.00 0.01 0.00 0.00 54.13 52.99 3k4x s LEU 335 Cb -0.16 -2.12 -0.01 0.00 0.01 0.00 0.00 46.19 43.91 3k4x s LEU 335 CO -0.03 -0.42 0.89 -0.83 1.01 0.00 0.00 176.35 176.96 3k4x s GLY 336 N 1.64 2.18 0.04 -3.19 0.00 -1.26 -0.42 107.32 106.31 3k4x s GLY 336 Ca 0.04 0.14 0.04 0.00 0.00 0.00 0.00 44.72 44.94 3k4x s GLY 336 CO 0.09 1.74 -0.12 1.06 0.00 0.00 0.00 173.10 175.88 3k4x s MET 337 N 2.10 0.75 -0.49 2.90 -1.94 -1.05 0.39 119.30 121.97 3k4x s MET 337 Ca 0.41 -0.74 -0.21 0.00 -1.71 0.00 0.00 55.69 53.44 3k4x s MET 337 Cb -0.17 -0.69 0.04 0.00 2.01 0.00 0.00 34.83 36.02 3k4x s MET 337 CO 0.14 0.16 0.70 0.34 -0.01 0.00 0.00 175.02 176.35 3k4x s ASP 338 N -1.28 6.29 0.63 3.03 3.68 -1.26 -2.29 116.67 125.46 3k4x s ASP 338 Ca -0.02 -0.58 0.34 0.00 2.13 0.00 0.00 52.55 54.43 3k4x s ASP 338 Cb -0.08 -2.33 1.95 0.00 -1.45 0.00 0.00 42.92 41.01 3k4x s ASP 338 CO 0.01 -0.92 2.20 -0.07 0.13 0.00 0.00 175.17 176.52 3k4x h LEU 339 N 9.96 0.00 0.10 -1.34 3.38 -1.83 0.99 115.31 126.57 3k4x h LEU 339 Ca -0.26 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3k4x h LEU 339 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3k4x h LEU 339 CO 0.96 0.00 -0.05 0.74 0.09 0.00 0.00 178.44 180.19 3k4x h THR 340 N 0.00 1.14 -0.52 0.22 2.02 -1.92 -1.52 112.91 112.33 3k4x h THR 340 Ca 0.03 -1.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.01 3k4x h THR 340 Cb 0.25 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 3k4x h THR 340 CO -0.00 0.27 0.17 0.28 0.37 0.00 0.00 175.52 176.61 3k4x h SER 341 N -0.69 0.70 -0.23 4.18 0.02 -1.70 -2.74 113.55 113.08 3k4x h SER 341 Ca -0.01 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3k4x h SER 341 Cb 0.54 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3k4x h SER 341 CO 0.02 0.66 0.11 0.25 -1.14 0.00 0.00 176.83 176.74 3k4x h LEU 342 N 0.75 0.30 -1.89 5.07 5.85 -0.85 -2.62 115.31 121.92 3k4x h LEU 342 Ca 0.17 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3k4x h LEU 342 Cb 0.21 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 3k4x h LEU 342 CO -0.01 0.33 -0.12 0.77 -0.34 0.00 0.00 178.44 179.07 3k4x h SER 343 N 0.25 0.00 -0.24 1.25 4.64 -1.08 -1.29 113.55 117.08 3k4x h SER 343 Ca 0.08 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 3k4x h SER 343 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3k4x h SER 343 CO -0.01 0.12 0.07 0.11 -0.87 0.00 0.00 176.83 176.25 3k4x h LYS 344 N 0.00 0.38 -0.40 4.77 1.57 -1.18 -2.74 116.57 118.98 3k4x h LYS 344 Ca -0.00 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 3k4x h LYS 344 Cb 0.35 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3k4x h LYS 344 CO 0.01 0.47 -0.15 0.82 -0.57 0.00 0.00 179.45 180.04 3k4x h ILE 345 N 0.22 1.28 0.00 1.86 2.04 -1.26 -2.71 117.51 118.94 3k4x h ILE 345 Ca 0.08 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.67 3k4x h ILE 345 Cb 0.25 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3k4x h ILE 345 CO -0.00 0.42 0.00 0.18 0.00 0.00 0.00 178.15 178.75 3k4x n LEU 346 N -4.29 0.00 0.22 1.44 7.99 -0.54 -2.58 117.00 119.25 3k4x n LEU 346 Ca -0.01 0.23 0.09 0.00 -0.01 0.00 0.00 56.01 56.31 3k4x n LEU 346 Cb 0.39 -0.23 0.50 0.00 -0.11 0.00 0.00 43.42 43.98 3k4x n LEU 346 CO 0.44 -0.18 0.82 0.03 -1.51 0.00 0.00 177.39 176.98 3k4x h ARG 347 N 0.00 0.00 -3.74 3.23 2.47 -1.17 -3.45 114.38 111.72 3k4x h ARG 347 Ca 0.00 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.53 3k4x h ARG 347 Cb 0.05 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 28.12 3k4x h ARG 347 CO 0.00 0.24 -0.66 0.00 0.56 0.00 0.00 179.97 180.11 3k4x n GLY 349 N 2.37 -0.40 3.60 0.00 0.00 -1.26 -4.97 105.19 104.53 3k4x n GLY 349 Ca -0.17 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 3k4x n GLY 349 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3k4x s ASN 350 N -6.17 4.63 0.39 1.61 0.01 -1.26 -5.00 114.94 109.15 3k4x s ASN 350 Ca -0.24 -0.19 0.17 0.00 -0.71 0.00 0.00 52.86 51.89 3k4x s ASN 350 Cb 0.05 -1.05 0.81 0.00 0.41 0.00 0.00 41.25 41.47 3k4x s ASN 350 CO 0.34 0.26 1.83 0.78 -1.51 0.00 0.00 177.10 178.80 3k4x h ASN 351 N 4.27 0.00 0.67 -1.22 2.35 -1.94 -2.83 115.58 116.89 3k4x h ASN 351 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 3k4x h ASN 351 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.54 3k4x h ASN 351 CO 0.54 0.35 -0.28 0.35 -1.65 0.00 0.00 177.43 176.74 3k4x n THR 352 N -3.85 0.00 -1.14 2.81 -2.24 -1.26 0.31 114.28 108.91 3k4x n THR 352 Ca -0.01 -0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.44 3k4x n THR 352 Cb 0.42 -0.06 0.12 0.00 -2.10 0.00 0.00 70.33 68.71 3k4x n THR 352 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3k4x s ASP 353 N -2.95 3.81 -0.32 3.42 -0.00 -1.07 -4.45 116.67 115.12 3k4x s ASP 353 Ca 0.14 2.18 -0.29 0.00 -0.00 0.00 0.00 52.55 54.58 3k4x s ASP 353 Cb 0.18 -2.57 0.00 0.00 -0.00 0.00 0.00 42.92 40.54 3k4x s ASP 353 CO 0.61 -2.51 1.30 -0.89 -0.00 0.00 0.00 175.17 173.68 3k4x s THR 354 N -2.43 4.14 -0.08 -1.27 2.01 0.88 -1.68 115.64 117.22 3k4x s THR 354 Ca 0.69 1.27 -0.14 0.00 0.31 0.00 0.00 61.69 63.82 3k4x s THR 354 Cb -0.24 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.04 3k4x s THR 354 CO 0.52 -0.52 0.34 -0.22 -0.69 0.00 0.00 174.62 174.05 3k4x s LEU 355 N 4.44 4.37 -0.02 4.42 2.96 -1.21 -1.41 118.68 132.23 3k4x s LEU 355 Ca 0.56 0.73 0.01 0.00 -0.22 0.00 0.00 54.13 55.22 3k4x s LEU 355 Cb -0.16 -2.46 0.01 0.00 0.50 0.00 0.00 46.19 44.08 3k4x s LEU 355 CO 0.24 0.23 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.57 3k4x s THR 356 N -0.39 0.40 -0.41 3.68 2.01 -1.00 -0.04 115.64 119.89 3k4x s THR 356 Ca 0.20 -0.15 -0.04 0.00 0.31 0.00 0.00 61.69 62.02 3k4x s THR 356 Cb -0.15 -0.38 0.11 0.00 0.01 0.00 0.00 72.50 72.09 3k4x s THR 356 CO 0.09 0.14 0.21 -0.76 -0.69 0.00 0.00 174.62 173.61 3k4x s LEU 357 N 0.30 5.21 0.19 4.42 1.43 0.11 -0.85 118.68 129.47 3k4x s LEU 357 Ca -0.03 -1.94 -0.04 0.00 -1.03 0.00 0.00 54.13 51.08 3k4x s LEU 357 Cb -0.07 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 3k4x s LEU 357 CO -0.00 -0.54 0.43 -0.63 0.23 0.00 0.00 176.35 175.83 3k4x s ILE 358 N 1.18 5.13 -0.26 -0.59 1.09 -0.27 -2.23 121.20 125.25 3k4x s ILE 358 Ca 0.07 -0.00 -0.18 0.00 -1.10 0.00 0.00 60.65 59.44 3k4x s ILE 358 Cb -0.23 -3.66 0.07 0.00 -1.06 0.00 0.00 42.46 37.58 3k4x s ILE 358 CO -0.03 -0.07 0.65 0.00 -0.10 0.00 0.00 174.94 175.39 3k4x s ALA 359 N -1.79 -1.71 0.76 9.38 0.00 -0.89 -1.72 121.76 125.78 3k4x s ALA 359 Ca 0.42 2.15 -0.11 0.00 0.00 0.00 0.00 51.96 54.41 3k4x s ALA 359 Cb -0.12 -1.26 0.05 0.00 0.00 0.00 0.00 23.12 21.80 3k4x s ALA 359 CO 0.26 -0.35 1.13 0.16 0.00 0.00 0.00 175.76 176.96 3k4x s ASP 360 N 1.17 4.89 0.09 0.00 3.84 -1.26 -3.59 116.67 121.81 3k4x s ASP 360 Ca -0.06 0.87 -0.23 0.00 -0.00 0.00 0.00 52.55 53.12 3k4x s ASP 360 Cb -0.05 -1.50 -0.07 0.00 -1.38 0.00 0.00 42.92 39.92 3k4x s ASP 360 CO -0.12 -1.65 1.38 0.78 -0.00 0.00 0.00 175.17 175.56 3k4x h ASN 361 N -0.84 -1.34 -3.72 2.11 2.35 -2.00 -3.10 115.58 109.04 3k4x h ASN 361 Ca -0.45 0.18 -0.78 0.00 -0.55 0.00 0.00 56.30 54.69 3k4x h ASN 361 Cb 1.30 0.56 -0.26 0.00 0.05 0.00 0.00 38.32 39.97 3k4x h ASN 361 CO 0.65 -0.27 0.17 0.42 -1.65 0.00 0.00 177.43 176.75 3k4x s THR 362 N -4.83 5.58 -0.22 2.81 -4.23 -1.26 -5.03 115.64 108.46 3k4x s THR 362 Ca -0.10 -2.47 -0.29 0.00 -1.18 0.00 0.00 61.69 57.66 3k4x s THR 362 Cb 0.06 -4.50 -0.04 0.00 1.34 0.00 0.00 72.50 69.36 3k4x s THR 362 CO 0.43 -1.07 1.98 -2.84 -0.54 0.00 0.00 174.62 172.57 3k4x s PRO 363 N 0.26 3.41 0.08 3.99 0.02 -1.17 -4.82 135.00 136.77 3k4x s PRO 363 Ca 0.20 1.87 0.17 0.00 0.02 0.00 0.00 61.00 63.26 3k4x s PRO 363 Cb -0.10 -4.25 -0.11 0.00 0.02 0.00 0.00 34.50 30.06 3k4x s PRO 363 CO -0.09 -1.77 0.89 -0.44 -0.33 0.00 0.00 177.00 175.25 3k4x h ASP 364 N 13.24 0.00 -4.96 2.53 3.32 -1.96 -3.48 116.42 125.12 3k4x h ASP 364 Ca -0.39 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.72 3k4x h ASP 364 Cb 1.21 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.65 3k4x h ASP 364 CO 0.98 0.55 0.32 -0.94 -1.72 0.00 0.00 179.24 178.43 3k4x s SER 365 N -5.83 -0.41 -0.01 6.45 1.04 -1.26 -2.62 113.70 111.06 3k4x s SER 365 Ca -0.02 -0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.26 3k4x s SER 365 Cb 0.09 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.73 3k4x s SER 365 CO 0.80 -0.96 -0.06 -0.51 0.98 0.00 0.00 173.24 173.50 3k4x s ILE 366 N -3.58 3.73 -0.24 -1.02 2.07 -0.19 -4.63 121.20 117.35 3k4x s ILE 366 Ca 0.05 -0.69 -0.04 0.00 -1.41 0.00 0.00 60.65 58.56 3k4x s ILE 366 Cb -0.02 -2.61 -0.00 0.00 0.13 0.00 0.00 42.46 39.96 3k4x s ILE 366 CO -0.06 0.43 -0.02 -0.63 -1.91 0.00 0.00 174.94 172.75 3k4x s ILE 367 N -0.97 3.46 -0.28 2.00 1.01 -0.70 -0.27 121.20 125.46 3k4x s ILE 367 Ca 0.16 -0.57 -0.11 0.00 0.00 0.00 0.00 60.65 60.13 3k4x s ILE 367 Cb -0.11 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 3k4x s ILE 367 CO 0.07 0.33 0.18 -0.76 0.00 0.00 0.00 174.94 174.76 3k4x s LEU 368 N 1.47 4.01 -0.40 2.97 1.02 0.50 -1.12 118.68 127.14 3k4x s LEU 368 Ca 0.05 -0.01 -0.05 0.00 0.02 0.00 0.00 54.13 54.13 3k4x s LEU 368 Cb -0.15 -2.11 0.09 0.00 0.02 0.00 0.00 46.19 44.04 3k4x s LEU 368 CO -0.02 -0.04 0.20 -0.22 0.02 0.00 0.00 176.35 176.29 3k4x s LEU 369 N 1.71 5.04 0.03 1.79 2.96 -0.03 -0.26 118.68 129.91 3k4x s LEU 369 Ca 0.07 -1.72 -0.23 0.00 -0.22 0.00 0.00 54.13 52.02 3k4x s LEU 369 Cb -0.16 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.60 3k4x s LEU 369 CO 0.10 -0.51 0.71 -0.36 -1.32 0.00 0.00 176.35 174.97 3k4x s PHE 370 N 1.27 3.71 -0.07 5.38 0.40 0.15 -2.37 117.98 126.45 3k4x s PHE 370 Ca 0.04 1.38 -0.02 0.00 -0.60 0.00 0.00 56.93 57.73 3k4x s PHE 370 Cb -0.23 -2.75 0.03 0.00 0.51 0.00 0.00 43.02 40.58 3k4x s PHE 370 CO -0.01 0.29 0.03 -1.21 0.70 0.00 0.00 175.22 175.02 3k4x s GLU 371 N -0.07 0.31 1.18 0.44 2.02 -0.50 -1.89 118.70 120.19 3k4x s GLU 371 Ca 0.36 0.17 -0.14 0.00 0.02 0.00 0.00 54.97 55.38 3k4x s GLU 371 Cb -0.20 -0.91 0.28 0.00 0.10 0.00 0.00 34.13 33.41 3k4x s GLU 371 CO 0.21 -0.35 1.03 -0.51 0.02 0.00 0.00 175.26 175.65 3k4x s ASP 372 N 2.05 0.93 0.34 -0.19 1.11 -1.20 -0.08 116.67 119.62 3k4x s ASP 372 Ca 0.04 1.29 0.05 0.00 0.18 0.00 0.00 52.55 54.12 3k4x s ASP 372 Cb -0.13 -2.00 0.60 0.00 1.07 0.00 0.00 42.92 42.47 3k4x s ASP 372 CO -0.05 -4.20 1.86 0.71 1.18 0.00 0.00 175.17 174.67 3k4x h THR 373 N -2.62 1.20 -3.65 -1.27 1.35 -1.91 -3.42 112.91 102.58 3k4x h THR 373 Ca -0.58 -0.85 -0.51 0.00 -0.55 0.00 0.00 66.41 63.92 3k4x h THR 373 Cb 1.34 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3k4x h THR 373 CO 0.49 0.28 0.44 -0.54 -0.25 0.00 0.00 175.52 175.95 3k4x s LYS 374 N -4.86 4.66 0.50 4.72 3.01 -1.26 -4.94 119.74 121.56 3k4x s LYS 374 Ca -0.07 1.67 0.23 0.00 -1.01 0.00 0.00 55.97 56.79 3k4x s LYS 374 Cb 0.15 -3.27 1.30 0.00 -1.01 0.00 0.00 37.83 35.00 3k4x s LYS 374 CO 0.76 0.20 2.05 0.87 0.51 0.00 0.00 175.35 179.74 3k4x h LYS 375 N 4.68 0.00 0.14 1.68 6.56 -2.00 -3.24 116.57 124.39 3k4x h LYS 375 Ca -0.45 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.13 3k4x h LYS 375 Cb 1.21 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 3k4x h LYS 375 CO 0.70 0.14 -0.07 -0.44 -2.06 0.00 0.00 179.45 177.73 3k4x h ASP 376 N 0.00 -0.16 -3.13 0.86 3.32 -1.93 -3.45 116.42 111.93 3k4x h ASP 376 Ca -0.00 -0.32 -0.54 0.00 0.02 0.00 0.00 57.03 56.18 3k4x h ASP 376 Cb 0.32 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3k4x h ASP 376 CO 0.02 0.26 0.64 -0.60 -1.72 0.00 0.00 179.24 177.84 3k4x s ARG 377 N -4.37 4.39 0.02 3.56 3.00 -1.23 -4.42 118.95 119.91 3k4x s ARG 377 Ca -0.15 1.71 0.01 0.00 -1.00 0.00 0.00 55.73 56.30 3k4x s ARG 377 Cb 0.02 -3.48 -0.02 0.00 0.00 0.00 0.00 34.95 31.47 3k4x s ARG 377 CO 0.59 -0.37 -0.05 0.42 0.00 0.00 0.00 175.30 175.89 3k4x s ILE 378 N 1.77 0.32 -0.28 4.11 -1.09 -1.03 -3.24 121.20 121.75 3k4x s ILE 378 Ca 0.57 -0.80 -0.09 0.00 -2.23 0.00 0.00 60.65 58.10 3k4x s ILE 378 Cb -0.26 -0.40 0.12 0.00 -1.58 0.00 0.00 42.46 40.34 3k4x s ILE 378 CO 0.25 -0.32 0.60 0.00 -1.23 0.00 0.00 174.94 174.24 3k4x s ALA 379 N -1.10 -1.86 0.04 9.38 0.00 -0.79 -1.98 121.76 125.46 3k4x s ALA 379 Ca -0.09 2.13 0.09 0.00 0.00 0.00 0.00 51.96 54.09 3k4x s ALA 379 Cb -0.08 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 3k4x s ALA 379 CO -0.00 -0.91 -0.25 -1.83 0.00 0.00 0.00 175.76 172.77 3k4x s GLU 380 N 2.83 1.68 0.14 0.00 -1.05 -0.51 0.33 118.70 122.11 3k4x s GLU 380 Ca -0.04 -1.05 0.05 0.00 -0.15 0.00 0.00 54.97 53.79 3k4x s GLU 380 Cb -0.12 -1.83 -0.04 0.00 -0.44 0.00 0.00 34.13 31.70 3k4x s GLU 380 CO -0.18 0.47 -0.13 0.71 0.95 0.00 0.00 175.26 177.09 3k4x s TYR 381 N -0.79 1.37 -0.12 4.83 1.51 0.64 -0.65 117.35 124.13 3k4x s TYR 381 Ca 0.10 -0.62 -0.01 0.00 -1.01 0.00 0.00 57.07 55.53 3k4x s TYR 381 Cb -0.10 -0.70 0.03 0.00 -0.11 0.00 0.00 41.96 41.09 3k4x s TYR 381 CO 0.02 0.14 -0.04 0.45 -1.11 0.00 0.00 175.55 175.01 3k4x s SER 382 N -2.76 2.28 -0.23 2.29 0.15 0.11 -0.37 113.70 115.17 3k4x s SER 382 Ca 0.12 -0.40 -0.09 0.00 0.70 0.00 0.00 55.95 56.29 3k4x s SER 382 Cb -0.02 -0.73 -0.04 0.00 -1.71 0.00 0.00 66.02 63.52 3k4x s SER 382 CO 0.02 -0.18 0.11 -0.22 1.20 0.00 0.00 173.24 174.18 3k4x s LEU 383 N 1.77 3.83 0.06 3.45 2.96 0.63 -1.04 118.68 130.34 3k4x s LEU 383 Ca 0.03 -0.00 -0.31 0.00 -0.22 0.00 0.00 54.13 53.63 3k4x s LEU 383 Cb -0.14 -2.02 -0.07 0.00 0.50 0.00 0.00 46.19 44.46 3k4x s LEU 383 CO -0.07 0.05 1.52 -0.75 -1.32 0.00 0.00 176.35 175.78 3k4x s LYS 384 N 1.14 4.25 0.45 1.98 2.36 -0.84 -1.02 119.74 128.05 3k4x s LYS 384 Ca 0.06 2.16 -0.18 0.00 -2.55 0.00 0.00 55.97 55.46 3k4x s LYS 384 Cb -0.14 -3.51 -0.09 0.00 -1.05 0.00 0.00 37.83 33.03 3k4x s LYS 384 CO 0.04 -0.63 0.94 -0.51 1.55 0.00 0.00 175.35 176.74 3k4x s LEU 385 N 2.25 3.83 0.64 5.43 1.43 -1.08 -4.84 118.68 126.35 3k4x s LEU 385 Ca 0.69 1.58 0.04 0.00 -1.03 0.00 0.00 54.13 55.41 3k4x s LEU 385 Cb -0.36 -4.46 0.11 0.00 0.03 0.00 0.00 46.19 41.50 3k4x s LEU 385 CO 0.30 -0.43 0.89 -0.04 0.23 0.00 0.00 176.35 177.29 3k4x s MET 386 N -3.53 2.00 -0.27 1.70 -1.94 0.16 -4.94 119.30 112.48 3k4x s MET 386 Ca 0.60 -1.37 0.03 0.00 -1.71 0.00 0.00 55.69 53.24 3k4x s MET 386 Cb -0.09 -2.49 0.07 0.00 2.01 0.00 0.00 34.83 34.32 3k4x s MET 386 CO 0.21 -1.14 -0.08 0.34 -0.01 0.00 0.00 175.02 174.34 3k4x s ASP 387 N -4.69 4.44 0.02 3.03 -1.08 -1.26 -4.18 116.67 112.95 3k4x s ASP 387 Ca 0.64 -1.49 0.04 0.00 -0.52 0.00 0.00 52.55 51.23 3k4x s ASP 387 Cb -0.06 -1.52 -0.02 0.00 -1.46 0.00 0.00 42.92 39.86 3k4x s ASP 387 CO 0.41 -0.22 -0.13 -0.63 0.52 0.00 0.00 175.17 175.12 3k4x s ILE 388 N 1.10 1.06 -0.02 4.11 1.01 -1.26 -5.12 121.20 122.09 3k4x s ILE 388 Ca -0.06 -0.86 -0.16 0.00 0.00 0.00 0.00 60.65 59.58 3k4x s ILE 388 Cb -0.20 -0.94 -0.06 0.00 0.01 0.00 0.00 42.46 41.27 3k4x s ILE 388 CO -0.06 0.08 0.44 -1.81 0.00 0.00 0.00 174.94 173.60 3k4x s ASP 389 N -0.88 6.81 -0.15 3.58 1.11 -1.26 -4.98 116.67 120.90 3k4x s ASP 389 Ca 0.02 0.97 -0.24 0.00 0.18 0.00 0.00 52.55 53.48 3k4x s ASP 389 Cb -0.07 -2.27 -0.24 0.00 1.07 0.00 0.00 42.92 41.41 3k4x s ASP 389 CO 0.01 0.25 0.56 0.00 1.18 0.00 0.00 175.17 177.17 3k4x h ALA 390 N 5.12 0.11 -2.06 5.23 0.00 -2.00 -3.47 119.26 122.18 3k4x h ALA 390 Ca -0.49 -0.84 -0.60 0.00 0.00 0.00 0.00 54.91 52.98 3k4x h ALA 390 Cb 1.21 0.32 0.13 0.00 0.00 0.00 0.00 17.79 19.45 3k4x h ALA 390 CO 0.65 0.38 -0.04 -0.25 0.00 0.00 0.00 179.25 179.99 3k4x n ASP 391 N -4.42 0.56 -3.99 0.00 8.00 -1.26 -4.58 116.55 110.85 3k4x n ASP 391 Ca -0.20 1.06 -0.16 0.00 0.71 0.00 0.00 54.79 56.20 3k4x n ASP 391 Cb 0.63 -1.24 -0.14 0.00 -0.02 0.00 0.00 41.12 40.35 3k4x n ASP 391 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3k4x s PHE 392 N -1.23 0.58 -0.02 1.24 2.19 -1.26 -5.21 117.98 114.27 3k4x s PHE 392 Ca 0.62 -0.17 -0.01 0.00 0.33 0.00 0.00 56.93 57.70 3k4x s PHE 392 Cb -0.65 -0.37 0.02 0.00 -1.31 0.00 0.00 43.02 40.72 3k4x s PHE 392 CO 0.58 -0.02 0.04 -1.17 1.83 0.00 0.00 175.22 176.49 3k4x s LEU 393 N -0.40 1.34 -0.11 6.12 0.20 -1.26 -5.14 118.68 119.43 3k4x s LEU 393 Ca 0.00 0.08 -0.05 0.00 0.69 0.00 0.00 54.13 54.85 3k4x s LEU 393 Cb -0.04 0.04 0.05 0.00 -0.43 0.00 0.00 46.19 45.82 3k4x s LEU 393 CO -0.00 -0.09 0.23 -0.75 -0.29 0.00 0.00 176.35 175.45 3k4x s LYS 394 N 0.69 0.16 -0.37 1.98 2.47 -1.26 -5.13 119.74 118.28 3k4x s LYS 394 Ca -0.06 0.58 -0.04 0.00 -1.56 0.00 0.00 55.97 54.90 3k4x s LYS 394 Cb -0.08 -0.12 0.08 0.00 -1.46 0.00 0.00 37.83 36.25 3k4x s LYS 394 CO -0.02 -0.21 0.14 0.42 0.16 0.00 0.00 175.35 175.84 3k4x s ILE 395 N 1.68 3.35 0.70 5.43 1.01 -1.26 -5.09 121.20 127.02 3k4x s ILE 395 Ca -0.05 -1.71 -0.15 0.00 0.00 0.00 0.00 60.65 58.74 3k4x s ILE 395 Cb -0.11 -3.13 0.02 0.00 0.01 0.00 0.00 42.46 39.25 3k4x s ILE 395 CO -0.08 -0.46 1.15 -0.70 0.00 0.00 0.00 174.94 174.85 3k4x s GLU 396 N 1.23 2.45 -0.11 2.79 2.12 -1.26 -4.89 118.70 121.02 3k4x s GLU 396 Ca 0.03 1.54 -0.29 0.00 0.36 0.00 0.00 54.97 56.61 3k4x s GLU 396 Cb -0.22 -1.89 -0.06 0.00 0.26 0.00 0.00 34.13 32.22 3k4x s GLU 396 CO -0.02 -1.55 2.06 -1.21 -0.54 0.00 0.00 175.26 174.00 3k4x s GLU 397 N -4.07 3.60 -0.24 4.30 2.02 -1.26 -4.94 118.70 118.11 3k4x s GLU 397 Ca 0.70 2.24 -0.09 0.00 0.02 0.00 0.00 54.97 57.83 3k4x s GLU 397 Cb -0.24 -4.26 -0.04 0.00 0.10 0.00 0.00 34.13 29.69 3k4x s GLU 397 CO 0.44 -1.57 0.13 -0.51 0.02 0.00 0.00 175.26 173.78 3k4x s LEU 398 N 6.46 3.89 -0.12 1.80 1.43 -1.26 -5.08 118.68 125.80 3k4x s LEU 398 Ca 0.93 0.00 -0.04 0.00 -1.03 0.00 0.00 54.13 54.00 3k4x s LEU 398 Cb -0.36 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 3k4x s LEU 398 CO 0.37 0.03 0.02 -1.10 0.23 0.00 0.00 176.35 175.90 3k4x s GLN 399 N 1.26 3.38 0.04 1.70 -0.21 -1.26 -5.11 119.66 119.46 3k4x s GLN 399 Ca 0.06 -0.40 0.08 0.00 0.02 0.00 0.00 55.36 55.12 3k4x s GLN 399 Cb -0.14 -2.94 -0.03 0.00 1.00 0.00 0.00 33.01 30.90 3k4x s GLN 399 CO 0.05 0.51 -0.20 0.71 -2.12 0.00 0.00 175.29 174.25 3k4x s TYR 400 N -0.35 2.51 -0.10 0.91 1.51 -1.26 -4.74 117.35 115.84 3k4x s TYR 400 Ca 0.07 -0.29 -0.16 0.00 -1.01 0.00 0.00 57.07 55.69 3k4x s TYR 400 Cb -0.12 -1.44 -0.13 0.00 -0.11 0.00 0.00 41.96 40.15 3k4x s TYR 400 CO 0.02 0.24 0.49 -0.44 -1.11 0.00 0.00 175.55 174.75 3k4x h ASP 401 N 4.55 -0.05 -4.01 2.29 3.45 -1.80 -3.47 116.42 117.38 3k4x h ASP 401 Ca -0.48 -0.45 -0.69 0.00 0.43 0.00 0.00 57.03 55.85 3k4x h ASP 401 Cb 1.15 0.01 -0.23 0.00 -0.56 0.00 0.00 39.33 39.71 3k4x h ASP 401 CO 0.47 0.64 -0.81 -0.44 -1.57 0.00 0.00 179.24 177.53 3k4x s SER 402 N -5.76 3.75 -0.11 6.45 0.01 -0.79 -0.76 113.70 116.49 3k4x s SER 402 Ca -0.10 -0.43 -0.03 0.00 1.31 0.00 0.00 55.95 56.71 3k4x s SER 402 Cb -0.01 -0.59 0.04 0.00 0.21 0.00 0.00 66.02 65.67 3k4x s SER 402 CO 0.37 0.26 0.04 -0.89 0.41 0.00 0.00 173.24 173.43 3k4x s THR 403 N -0.90 0.18 0.22 1.44 2.01 -0.69 -0.87 115.64 117.03 3k4x s THR 403 Ca 0.14 0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.21 3k4x s THR 403 Cb -0.10 -0.54 -0.05 0.00 0.01 0.00 0.00 72.50 71.82 3k4x s THR 403 CO 0.05 0.03 -0.09 -1.48 -0.69 0.00 0.00 174.62 172.44 3k4x s LEU 404 N 2.04 2.47 -0.05 4.42 2.34 -0.78 0.13 118.68 129.24 3k4x s LEU 404 Ca 0.03 -1.10 -0.10 0.00 0.06 0.00 0.00 54.13 53.03 3k4x s LEU 404 Cb -0.14 -0.53 0.02 0.00 -0.56 0.00 0.00 46.19 44.98 3k4x s LEU 404 CO -0.06 -0.30 0.24 -0.94 -1.06 0.00 0.00 176.35 174.23 3k4x s SER 405 N -3.32 -0.18 0.25 1.48 1.04 -0.92 -0.09 113.70 111.96 3k4x s SER 405 Ca 0.24 0.24 -0.19 0.00 0.48 0.00 0.00 55.95 56.72 3k4x s SER 405 Cb 0.02 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.56 3k4x s SER 405 CO 0.07 -0.24 0.63 -1.48 0.98 0.00 0.00 173.24 173.20 3k4x s LEU 406 N -0.58 -0.12 -0.01 2.42 2.34 -1.06 -2.03 118.68 119.64 3k4x s LEU 406 Ca -0.07 -0.61 -0.34 0.00 0.06 0.00 0.00 54.13 53.18 3k4x s LEU 406 Cb -0.04 2.44 -0.12 0.00 -0.56 0.00 0.00 46.19 47.91 3k4x s LEU 406 CO 0.02 -1.23 1.83 -2.65 -1.06 0.00 0.00 176.35 173.25 3k4x n PRO 407 N -0.42 2.27 -0.21 1.48 -0.02 -1.26 -1.16 135.00 135.68 3k4x n PRO 407 Ca -0.05 0.83 0.15 0.00 -2.02 0.00 0.00 63.50 62.40 3k4x n PRO 407 Cb 0.61 -2.67 0.47 0.00 -0.02 0.00 0.00 33.50 31.88 3k4x n PRO 407 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3k4x h SER 408 N 8.63 0.48 -0.12 2.55 4.64 -1.04 0.57 113.55 129.25 3k4x h SER 408 Ca -0.48 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 60.82 3k4x h SER 408 Cb 1.26 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 3k4x h SER 408 CO 0.94 0.24 -0.08 0.77 -0.87 0.00 0.00 176.83 177.82 3k4x h SER 409 N 0.50 0.40 -0.02 4.97 4.64 -1.89 0.21 113.55 122.37 3k4x h SER 409 Ca 0.41 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.62 3k4x h SER 409 Cb 0.86 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3k4x h SER 409 CO -0.16 0.53 -0.07 -0.08 -0.87 0.00 0.00 176.83 176.18 3k4x h GLU 410 N 0.40 0.08 -0.43 4.77 4.81 -1.29 -2.37 114.58 120.55 3k4x h GLU 410 Ca 0.08 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3k4x h GLU 410 Cb 0.39 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 3k4x h GLU 410 CO 0.02 0.71 0.23 0.35 -0.73 0.00 0.00 179.01 179.59 3k4x h PHE 411 N -0.54 0.58 -0.42 0.92 3.57 -1.17 -1.63 116.94 118.24 3k4x h PHE 411 Ca -0.00 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 3k4x h PHE 411 Cb 0.72 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 3k4x h PHE 411 CO 0.15 0.41 0.03 1.03 -2.23 0.00 0.00 178.31 177.70 3k4x h SER 412 N 0.60 0.71 0.34 0.41 0.87 -0.57 -2.28 113.55 113.62 3k4x h SER 412 Ca 0.16 -0.29 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 3k4x h SER 412 Cb 0.03 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 3k4x h SER 412 CO -0.03 0.82 -0.16 0.50 -0.53 0.00 0.00 176.83 177.43 3k4x h LYS 413 N 0.57 -0.44 -0.77 2.24 3.64 -0.90 -0.77 116.57 120.16 3k4x h LYS 413 Ca 0.12 0.03 0.17 0.00 -1.27 0.00 0.00 60.65 59.71 3k4x h LYS 413 Cb 0.44 0.10 -0.12 0.00 -0.41 0.00 0.00 32.23 32.24 3k4x h LYS 413 CO 0.02 -0.21 0.19 0.82 -2.27 0.00 0.00 179.45 178.00 3k4x h ILE 414 N -0.59 0.48 0.09 2.00 2.04 -1.31 0.45 117.51 120.67 3k4x h ILE 414 Ca -0.05 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 3k4x h ILE 414 Cb 0.43 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3k4x h ILE 414 CO 0.08 0.05 -0.04 0.58 0.00 0.00 0.00 178.15 178.81 3k4x h VAL 415 N 0.26 1.09 -0.71 1.67 2.07 -1.26 -1.07 116.25 118.31 3k4x h VAL 415 Ca 0.44 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 67.30 3k4x h VAL 415 Cb 0.78 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 3k4x h VAL 415 CO -0.54 0.17 0.46 0.03 0.02 0.00 0.00 177.57 177.71 3k4x h ARG 416 N -0.43 0.89 0.33 1.57 3.08 -0.25 0.15 114.38 119.72 3k4x h ARG 416 Ca -0.01 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3k4x h ARG 416 Cb 0.36 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3k4x h ARG 416 CO 0.02 0.59 -0.16 -0.44 -1.07 0.00 0.00 179.97 178.91 3k4x h ASP 417 N 0.92 -0.37 0.37 7.04 3.32 -0.11 -3.15 116.42 124.43 3k4x h ASP 417 Ca 0.27 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 3k4x h ASP 417 Cb -0.05 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3k4x h ASP 417 CO -0.08 -0.16 -0.34 -0.07 -1.72 0.00 0.00 179.24 176.87 3k4x h LEU 418 N -0.58 0.00 -2.53 1.55 3.38 -1.06 -2.37 115.31 113.70 3k4x h LEU 418 Ca -0.05 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3k4x h LEU 418 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3k4x h LEU 418 CO 0.07 0.34 0.10 0.28 0.09 0.00 0.00 178.44 179.33 3k4x h SER 419 N 0.00 0.00 0.47 -0.43 0.02 -0.92 -1.33 113.55 111.36 3k4x h SER 419 Ca -0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 3k4x h SER 419 Cb 0.62 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 3k4x h SER 419 CO 0.04 0.00 -0.34 1.56 -1.14 0.00 0.00 176.83 176.96 3k4x h GLN 420 N 0.00 0.00 0.05 3.45 1.08 -1.47 -3.33 115.11 114.89 3k4x h GLN 420 Ca 0.02 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.87 3k4x h GLN 420 Cb 0.22 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.61 3k4x h GLN 420 CO -0.00 0.34 -1.98 1.28 -0.95 0.00 0.00 178.83 177.52 3k4x n LEU 421 N -3.90 2.39 -4.24 1.46 4.77 -0.51 -5.02 117.00 111.95 3k4x n LEU 421 Ca -0.02 0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 56.05 3k4x n LEU 421 Cb 0.41 -0.99 -0.10 0.00 -2.33 0.00 0.00 43.42 40.40 3k4x n LEU 421 CO 0.37 0.67 -0.37 -0.55 -1.33 0.00 0.00 177.39 176.19 3k4x s SER 422 N -6.96 1.50 0.00 -1.43 0.15 -1.17 -3.61 113.70 102.17 3k4x s SER 422 Ca -0.29 -1.09 0.27 0.00 0.70 0.00 0.00 55.95 55.53 3k4x s SER 422 Cb 0.08 0.05 0.97 0.00 -1.71 0.00 0.00 66.02 65.41 3k4x s SER 422 CO 0.64 -0.46 1.69 0.47 1.20 0.00 0.00 173.24 176.79 3k4x n ASP 423 N -0.22 1.61 -3.92 5.45 8.00 -1.26 -4.56 116.55 121.66 3k4x n ASP 423 Ca -0.09 -1.55 -0.19 0.00 0.71 0.00 0.00 54.79 53.67 3k4x n ASP 423 Cb 0.62 -0.02 -0.16 0.00 -0.02 0.00 0.00 41.12 41.54 3k4x n ASP 423 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3k4x s SER 424 N -1.94 0.89 -0.06 -2.24 0.01 -1.26 -1.24 113.70 107.86 3k4x s SER 424 Ca 0.37 -0.13 0.04 0.00 1.31 0.00 0.00 55.95 57.54 3k4x s SER 424 Cb 0.21 -0.37 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 3k4x s SER 424 CO 0.32 -0.02 -0.17 -0.63 0.41 0.00 0.00 173.24 173.15 3k4x s ILE 425 N 0.65 2.79 -0.19 1.44 1.01 0.51 -4.34 121.20 123.08 3k4x s ILE 425 Ca -0.09 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 59.73 3k4x s ILE 425 Cb -0.12 -2.08 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 3k4x s ILE 425 CO 0.00 0.58 -0.08 0.21 0.00 0.00 0.00 174.94 175.64 3k4x s ASN 426 N -0.49 4.10 -0.23 3.58 2.47 0.92 -0.26 114.94 125.03 3k4x s ASN 426 Ca 0.06 -0.39 -0.10 0.00 0.42 0.00 0.00 52.86 52.85 3k4x s ASN 426 Cb -0.12 -1.68 -0.05 0.00 -1.45 0.00 0.00 41.25 37.96 3k4x s ASN 426 CO 0.01 0.04 0.13 -0.63 -3.72 0.00 0.00 177.10 172.94 3k4x s ILE 427 N 1.10 5.18 -0.10 -5.21 1.01 0.39 -0.84 121.20 122.73 3k4x s ILE 427 Ca 0.01 0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.80 3k4x s ILE 427 Cb -0.15 -3.40 0.01 0.00 0.01 0.00 0.00 42.46 38.93 3k4x s ILE 427 CO -0.02 0.37 -0.19 -0.32 0.00 0.00 0.00 174.94 174.79 3k4x s MET 428 N 0.93 2.54 -0.27 2.79 1.75 -0.25 -1.52 119.30 125.26 3k4x s MET 428 Ca 0.07 -0.69 0.03 0.00 -1.25 0.00 0.00 55.69 53.84 3k4x s MET 428 Cb -0.13 -2.03 0.06 0.00 2.84 0.00 0.00 34.83 35.57 3k4x s MET 428 CO 0.03 0.04 -0.08 0.42 -0.65 0.00 0.00 175.02 174.78 3k4x s ILE 429 N 0.69 2.25 0.43 10.11 -1.09 0.50 -0.86 121.20 133.23 3k4x s ILE 429 Ca -0.12 -1.69 0.06 0.00 -2.23 0.00 0.00 60.65 56.67 3k4x s ILE 429 Cb -0.16 -2.36 -0.06 0.00 -1.58 0.00 0.00 42.46 38.30 3k4x s ILE 429 CO 0.03 -0.10 0.04 0.42 -1.23 0.00 0.00 174.94 174.11 3k4x s THR 430 N 1.09 1.89 -0.31 2.92 -4.23 -0.53 -1.92 115.64 114.55 3k4x s THR 430 Ca -0.07 -1.94 -0.35 0.00 -1.18 0.00 0.00 61.69 58.15 3k4x s THR 430 Cb -0.20 -2.83 -0.12 0.00 1.34 0.00 0.00 72.50 70.70 3k4x s THR 430 CO -0.05 0.00 2.11 1.17 -0.54 0.00 0.00 174.62 177.31 3k4x n LYS 431 N -1.08 1.23 -3.50 3.99 4.81 -1.26 -0.90 118.16 121.44 3k4x n LYS 431 Ca -0.07 0.37 -0.24 0.00 -0.87 0.00 0.00 58.31 57.50 3k4x n LYS 431 Cb 0.67 -2.47 0.07 0.00 0.02 0.00 0.00 35.03 33.32 3k4x n LYS 431 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3k4x n GLU 432 N 7.76 -7.48 -3.66 1.64 1.02 -1.26 -5.00 120.64 113.65 3k4x n GLU 432 Ca 0.37 0.84 -0.08 0.00 -0.02 0.00 0.00 57.16 58.28 3k4x n GLU 432 Cb 0.23 -5.86 -0.08 0.00 -0.02 0.00 0.00 31.44 25.71 3k4x n GLU 432 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3k4x s THR 433 N -3.30 -0.19 -0.24 2.62 2.01 -0.08 -4.60 115.64 111.87 3k4x s THR 433 Ca 0.54 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.60 3k4x s THR 433 Cb -0.24 -0.84 0.06 0.00 0.01 0.00 0.00 72.50 71.50 3k4x s THR 433 CO 0.67 0.02 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.93 3k4x s ILE 434 N 1.80 1.65 -0.27 1.82 1.01 -1.06 -1.45 121.20 124.70 3k4x s ILE 434 Ca -0.09 -1.31 -0.02 0.00 0.00 0.00 0.00 60.65 59.24 3k4x s ILE 434 Cb -0.08 -1.89 0.03 0.00 0.01 0.00 0.00 42.46 40.54 3k4x s ILE 434 CO -0.17 -0.09 -0.04 -0.75 0.00 0.00 0.00 174.94 173.89 3k4x s LYS 435 N 1.34 2.71 -0.04 2.79 2.20 -0.04 -1.81 119.74 126.88 3k4x s LYS 435 Ca -0.06 -1.07 -0.18 0.00 -0.36 0.00 0.00 55.97 54.29 3k4x s LYS 435 Cb -0.19 -3.06 -0.05 0.00 -1.51 0.00 0.00 37.83 33.02 3k4x s LYS 435 CO -0.06 -0.47 0.51 -0.06 -0.36 0.00 0.00 175.35 174.91 3k4x s PHE 436 N 1.31 3.64 -0.00 4.03 0.40 0.29 -1.09 117.98 126.55 3k4x s PHE 436 Ca -0.02 1.05 0.00 0.00 -0.60 0.00 0.00 56.93 57.36 3k4x s PHE 436 Cb -0.18 -2.52 0.00 0.00 0.51 0.00 0.00 43.02 40.84 3k4x s PHE 436 CO -0.03 0.36 -0.01 0.08 0.70 0.00 0.00 175.22 176.32 3k4x s VAL 437 N -0.12 0.06 -0.02 -0.44 1.01 -0.02 -0.52 120.40 120.35 3k4x s VAL 437 Ca 0.28 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.24 3k4x s VAL 437 Cb -0.17 -0.07 0.02 0.00 0.00 0.00 0.00 36.38 36.16 3k4x s VAL 437 CO 0.14 0.03 -0.01 0.00 0.00 0.00 0.00 175.10 175.26 3k4x s ALA 438 N 0.07 0.32 -0.19 5.51 0.00 0.45 -0.06 121.76 127.86 3k4x s ALA 438 Ca -0.00 0.08 -0.00 0.00 0.00 0.00 0.00 51.96 52.03 3k4x s ALA 438 Cb -0.01 -0.25 0.05 0.00 0.00 0.00 0.00 23.12 22.90 3k4x s ALA 438 CO -0.00 -0.03 -0.06 0.34 0.00 0.00 0.00 175.76 176.01 3k4x s ASP 439 N 0.72 3.23 0.11 0.00 2.15 -1.26 -0.04 116.67 121.58 3k4x s ASP 439 Ca -0.07 -0.86 0.01 0.00 0.43 0.00 0.00 52.55 52.05 3k4x s ASP 439 Cb -0.10 -1.03 -0.00 0.00 -0.30 0.00 0.00 42.92 41.48 3k4x s ASP 439 CO -0.01 -0.20 0.02 0.61 -0.17 0.00 0.00 175.17 175.42 3k4x n GLY 440 N 4.79 3.96 0.31 2.66 0.00 -1.05 -4.66 105.19 111.20 3k4x n GLY 440 Ca -0.12 -2.09 -0.06 0.00 0.00 0.00 0.00 46.02 43.75 3k4x n GLY 440 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3k4x h ASP 441 N 0.35 0.96 0.68 1.61 3.32 -1.99 -2.90 116.42 118.45 3k4x h ASP 441 Ca -0.09 -0.13 -0.20 0.00 0.02 0.00 0.00 57.03 56.63 3k4x h ASP 441 Cb 0.30 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3k4x h ASP 441 CO 0.14 0.82 -0.91 0.16 -1.72 0.00 0.00 179.24 177.73 3k4x h ILE 442 N 1.03 1.54 0.00 0.35 3.07 -1.96 -3.47 117.51 118.06 3k4x h ILE 442 Ca 0.25 -2.78 0.00 0.00 1.55 0.00 0.00 64.86 63.88 3k4x h ILE 442 Cb 0.11 2.55 0.00 0.00 -0.27 0.00 0.00 36.82 39.22 3k4x h ILE 442 CO -0.03 0.80 0.00 0.61 -1.05 0.00 0.00 178.15 178.48 3k4x n GLY 443 N 0.97 1.09 4.00 0.16 0.00 -1.10 -1.13 105.19 109.17 3k4x n GLY 443 Ca -0.03 -1.16 -0.22 0.00 0.00 0.00 0.00 46.02 44.61 3k4x n GLY 443 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k4x s SER 444 N 0.00 4.72 -0.29 1.61 1.04 -0.97 -2.51 113.70 117.30 3k4x s SER 444 Ca 0.00 -0.41 -0.15 0.00 0.48 0.00 0.00 55.95 55.87 3k4x s SER 444 Cb 0.00 -0.12 0.11 0.00 0.10 0.00 0.00 66.02 66.11 3k4x s SER 444 CO 0.00 -1.58 0.79 -0.83 0.98 0.00 0.00 173.24 172.60 3k4x s GLY 445 N -4.65 -0.43 -0.06 7.32 0.00 0.94 -1.51 107.32 108.92 3k4x s GLY 445 Ca 0.63 2.67 0.01 0.00 0.00 0.00 0.00 44.72 48.03 3k4x s GLY 445 CO 0.42 2.65 -0.06 -1.35 0.00 0.00 0.00 173.10 174.75 3k4x s SER 446 N 1.84 1.44 -0.17 1.64 1.04 0.28 -0.41 113.70 119.36 3k4x s SER 446 Ca -0.08 -0.19 -0.06 0.00 0.48 0.00 0.00 55.95 56.09 3k4x s SER 446 Cb -0.06 -0.60 -0.04 0.00 0.10 0.00 0.00 66.02 65.42 3k4x s SER 446 CO -0.18 -0.06 0.03 -0.69 0.98 0.00 0.00 173.24 173.32 3k4x s VAL 447 N 1.13 4.51 -0.33 5.02 1.01 0.32 -0.97 120.40 131.10 3k4x s VAL 447 Ca -0.07 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.81 3k4x s VAL 447 Cb -0.14 -3.01 0.10 0.00 0.00 0.00 0.00 36.38 33.32 3k4x s VAL 447 CO -0.01 0.48 0.04 -0.63 0.00 0.00 0.00 175.10 174.97 3k4x s ILE 448 N 0.32 2.13 0.19 2.22 1.01 -0.68 -0.55 121.20 125.84 3k4x s ILE 448 Ca 0.01 -2.17 -0.09 0.00 0.00 0.00 0.00 60.65 58.39 3k4x s ILE 448 Cb -0.13 -2.54 -0.07 0.00 0.01 0.00 0.00 42.46 39.73 3k4x s ILE 448 CO 0.01 -0.55 0.51 0.27 0.00 0.00 0.00 174.94 175.18 3k4x s ILE 449 N 0.99 4.98 -0.08 2.92 -4.36 -0.75 -2.78 121.20 122.12 3k4x s ILE 449 Ca 0.09 0.44 0.05 0.00 -0.26 0.00 0.00 60.65 60.97 3k4x s ILE 449 Cb -0.19 -3.64 -0.01 0.00 1.25 0.00 0.00 42.46 39.88 3k4x s ILE 449 CO -0.09 0.02 -0.23 -0.75 0.24 0.00 0.00 174.94 174.14 3k4x s LYS 450 N -2.59 2.80 0.28 0.37 2.47 -1.26 -2.56 119.74 119.25 3k4x s LYS 450 Ca 0.44 -0.86 -0.30 0.00 -1.56 0.00 0.00 55.97 53.68 3k4x s LYS 450 Cb -0.12 -2.28 -0.12 0.00 -1.46 0.00 0.00 37.83 33.86 3k4x s LYS 450 CO 0.21 0.32 1.64 -2.30 0.16 0.00 0.00 175.35 175.38 3k4x n PRO 451 N 3.15 2.76 -3.62 4.03 -0.02 -1.26 -4.84 135.00 135.20 3k4x n PRO 451 Ca -0.18 0.98 -0.13 0.00 -2.02 0.00 0.00 63.50 62.15 3k4x n PRO 451 Cb 0.52 -2.79 -0.07 0.00 -0.02 0.00 0.00 33.50 31.15 3k4x n PRO 451 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3k4x s PHE 452 N 0.28 -0.70 -0.17 6.00 -0.12 -0.80 -4.99 117.98 117.48 3k4x s PHE 452 Ca 0.66 1.66 -0.08 0.00 -0.05 0.00 0.00 56.93 59.12 3k4x s PHE 452 Cb -0.49 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.17 3k4x s PHE 452 CO 0.45 -0.38 0.09 0.54 -0.05 0.00 0.00 175.22 175.87 3k4x s VAL 453 N 0.13 5.03 -0.15 -2.49 0.11 -1.26 -1.61 120.40 120.16 3k4x s VAL 453 Ca -0.01 0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 3k4x s VAL 453 Cb -0.04 -3.25 0.02 0.00 -1.53 0.00 0.00 36.38 31.57 3k4x s VAL 453 CO 0.01 0.49 -0.16 -0.62 -3.33 0.00 0.00 175.10 171.49 3k4x s ASP 454 N 0.05 2.76 0.10 3.54 3.68 -1.26 -5.01 116.67 120.54 3k4x s ASP 454 Ca 0.07 -0.52 -0.18 0.00 2.13 0.00 0.00 52.55 54.06 3k4x s ASP 454 Cb -0.12 -1.24 -0.06 0.00 -1.45 0.00 0.00 42.92 40.05 3k4x s ASP 454 CO 0.00 -0.03 1.59 0.24 0.13 0.00 0.00 175.17 177.10 3k4x h MET 455 N 7.94 0.47 -6.11 4.34 2.86 -1.98 -3.18 114.93 119.27 3k4x h MET 455 Ca -0.39 -0.12 -0.57 0.00 -2.06 0.00 0.00 59.70 56.56 3k4x h MET 455 Cb 1.14 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.69 3k4x h MET 455 CO 0.55 0.57 -0.03 -1.21 1.06 0.00 0.00 176.91 177.85 3k4x s GLU 456 N -5.24 4.28 -1.12 1.72 8.01 -1.26 -3.99 118.70 121.10 3k4x s GLU 456 Ca -0.13 0.72 -0.10 0.00 0.01 0.00 0.00 54.97 55.47 3k4x s GLU 456 Cb 0.08 -3.31 -0.04 0.00 -4.31 0.00 0.00 34.13 26.55 3k4x s GLU 456 CO 0.74 0.45 0.86 0.72 0.01 0.00 0.00 175.26 178.04 3k4x n HIS 457 N 2.45 -2.20 0.36 1.61 8.25 -1.26 -4.88 115.22 119.54 3k4x n HIS 457 Ca -0.08 0.73 0.13 0.00 -0.26 0.00 0.00 57.72 58.25 3k4x n HIS 457 Cb 0.51 -4.01 0.56 0.00 1.12 0.00 0.00 29.99 28.17 3k4x n HIS 457 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3k4x h PRO 458 N -1.49 0.00 0.00 -0.41 0.13 -1.68 -2.47 132.00 126.08 3k4x h PRO 458 Ca -0.63 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.44 3k4x h PRO 458 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 3k4x h PRO 458 CO 0.47 0.00 -0.29 0.93 -0.23 0.00 0.00 178.00 178.88 3k4x h GLU 459 N 0.00 0.00 -0.76 0.86 4.39 -1.89 -2.89 114.58 114.28 3k4x h GLU 459 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 3k4x h GLU 459 Cb 0.38 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 3k4x h GLU 459 CO 0.00 0.29 0.07 -2.37 -1.16 0.00 0.00 179.01 175.84 3k4x n THR 460 N -3.47 1.96 -2.74 1.13 5.66 -0.93 -4.54 114.28 111.36 3k4x n THR 460 Ca -0.00 -1.00 -0.35 0.00 -3.05 0.00 0.00 64.05 59.66 3k4x n THR 460 Cb 0.46 -0.40 -0.06 0.00 -1.55 0.00 0.00 70.33 68.79 3k4x n THR 460 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3k4x s SER 461 N -0.52 6.95 -0.38 1.09 0.15 -1.09 -4.83 113.70 115.07 3k4x s SER 461 Ca 0.37 1.81 -0.03 0.00 0.70 0.00 0.00 55.95 58.80 3k4x s SER 461 Cb 0.29 -2.56 0.09 0.00 -1.71 0.00 0.00 66.02 62.13 3k4x s SER 461 CO 0.10 -0.35 0.14 -0.63 1.20 0.00 0.00 173.24 173.71 3k4x s ILE 462 N -1.93 3.23 0.18 6.45 1.01 -0.64 -4.48 121.20 125.02 3k4x s ILE 462 Ca 0.59 -1.84 -0.12 0.00 0.00 0.00 0.00 60.65 59.27 3k4x s ILE 462 Cb -0.14 -3.11 -0.07 0.00 0.01 0.00 0.00 42.46 39.15 3k4x s ILE 462 CO 0.19 -0.51 0.55 -0.54 0.00 0.00 0.00 174.94 174.62 3k4x s LYS 463 N 1.18 3.91 -0.07 2.79 1.02 -0.86 -1.90 119.74 125.81 3k4x s LYS 463 Ca 0.04 0.41 -0.03 0.00 0.02 0.00 0.00 55.97 56.41 3k4x s LYS 463 Cb -0.22 -2.81 0.04 0.00 -0.52 0.00 0.00 37.83 34.32 3k4x s LYS 463 CO -0.03 0.41 0.14 -1.17 -0.92 0.00 0.00 175.35 173.77 3k4x s LEU 464 N -2.31 0.27 -0.62 3.17 2.96 -1.26 -2.16 118.68 118.72 3k4x s LEU 464 Ca 0.42 0.27 0.06 0.00 -0.22 0.00 0.00 54.13 54.66 3k4x s LEU 464 Cb -0.13 0.23 0.21 0.00 0.50 0.00 0.00 46.19 46.99 3k4x s LEU 464 CO 0.20 -0.21 0.57 -0.62 -1.32 0.00 0.00 176.35 174.97 3k4x n GLU 465 N 4.91 1.78 -3.60 1.98 1.02 0.34 -4.98 120.64 122.08 3k4x n GLU 465 Ca -0.13 -4.27 -0.36 0.00 -0.02 0.00 0.00 57.16 52.38 3k4x n GLU 465 Cb 0.50 -2.09 -0.07 0.00 -0.02 0.00 0.00 31.44 29.76 3k4x n GLU 465 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3k4x s MET 466 N -1.63 4.21 -0.07 3.49 -2.45 -1.26 -1.71 119.30 119.88 3k4x s MET 466 Ca 0.32 -0.00 0.16 0.00 -1.25 0.00 0.00 55.69 54.92 3k4x s MET 466 Cb 0.06 -3.41 -0.24 0.00 1.25 0.00 0.00 34.83 32.49 3k4x s MET 466 CO -0.11 0.28 0.26 -0.25 1.05 0.00 0.00 175.02 176.25 3k4x n ASP 467 N 3.49 1.18 -3.63 1.11 8.00 0.06 -4.99 116.55 121.77 3k4x n ASP 467 Ca -0.13 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.24 3k4x n ASP 467 Cb 0.52 1.47 -0.07 0.00 -0.02 0.00 0.00 41.12 43.02 3k4x n ASP 467 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3k4x s GLN 468 N -2.90 0.77 0.52 -1.24 0.74 -1.24 -5.06 119.66 111.25 3k4x s GLN 468 Ca -0.07 0.93 -0.20 0.00 0.05 0.00 0.00 55.36 56.07 3k4x s GLN 468 Cb 0.09 0.37 -0.08 0.00 1.10 0.00 0.00 33.01 34.48 3k4x s GLN 468 CO 0.68 -0.09 0.84 -2.30 -0.55 0.00 0.00 175.29 173.86 3k4x n PRO 469 N 2.67 0.93 -3.90 1.67 -0.02 -1.26 -4.32 135.00 130.77 3k4x n PRO 469 Ca -0.14 0.35 -0.13 0.00 -2.02 0.00 0.00 63.50 61.55 3k4x n PRO 469 Cb 0.55 -1.97 -0.15 0.00 -0.02 0.00 0.00 33.50 31.92 3k4x n PRO 469 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3k4x s VAL 470 N -1.49 0.06 -0.29 -1.45 1.01 -0.81 -4.98 120.40 112.45 3k4x s VAL 470 Ca 0.69 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.68 3k4x s VAL 470 Cb -0.48 -0.09 0.09 0.00 0.00 0.00 0.00 36.38 35.90 3k4x s VAL 470 CO 0.53 0.04 0.08 -0.62 0.00 0.00 0.00 175.10 175.13 3k4x s ASP 471 N 0.25 3.83 -0.02 3.32 2.15 -1.26 -0.37 116.67 124.58 3k4x s ASP 471 Ca -0.02 -1.48 0.06 0.00 0.43 0.00 0.00 52.55 51.54 3k4x s ASP 471 Cb -0.04 -0.82 -0.01 0.00 -0.30 0.00 0.00 42.92 41.75 3k4x s ASP 471 CO -0.01 -0.39 -0.20 -0.76 -0.17 0.00 0.00 175.17 173.64 3k4x s LEU 472 N 1.66 2.03 -0.05 -1.34 1.43 -0.58 -5.00 118.68 116.83 3k4x s LEU 472 Ca 0.07 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 3k4x s LEU 472 Cb -0.17 -1.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.98 3k4x s LEU 472 CO -0.22 0.24 -0.04 -0.89 0.23 0.00 0.00 176.35 175.67 3k4x s THR 473 N -0.45 3.89 0.06 5.49 2.01 -1.26 -0.46 115.64 124.91 3k4x s THR 473 Ca 0.07 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.62 3k4x s THR 473 Cb -0.08 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 3k4x s THR 473 CO -0.01 0.55 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.02 3k4x s PHE 474 N -0.88 0.82 -0.07 4.92 0.08 0.64 -0.26 117.98 123.23 3k4x s PHE 474 Ca 0.14 -0.54 -0.30 0.00 0.12 0.00 0.00 56.93 56.36 3k4x s PHE 474 Cb -0.11 -0.48 -0.04 0.00 -0.57 0.00 0.00 43.02 41.82 3k4x s PHE 474 CO 0.03 -0.06 1.37 0.20 -0.10 0.00 0.00 175.22 176.66 3k4x s GLY 475 N -1.79 1.78 0.56 4.36 0.00 -1.26 -0.36 107.32 110.60 3k4x s GLY 475 Ca -0.06 0.71 0.28 0.00 0.00 0.00 0.00 44.72 45.66 3k4x s GLY 475 CO 0.00 2.55 1.94 0.00 0.00 0.00 0.00 173.10 177.59 3k4x h ALA 476 N 8.18 2.40 -0.96 3.20 0.00 -1.49 -0.02 119.26 130.57 3k4x h ALA 476 Ca -0.34 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 54.69 3k4x h ALA 476 Cb 1.15 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 3k4x h ALA 476 CO 0.93 -0.75 0.58 -0.22 0.00 0.00 0.00 179.25 179.79 3k4x h LYS 477 N 0.00 0.85 0.06 0.00 3.64 -1.90 -2.26 116.57 116.95 3k4x h LYS 477 Ca 0.26 -0.05 -0.30 0.00 -1.27 0.00 0.00 60.65 59.29 3k4x h LYS 477 Cb 1.20 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 3k4x h LYS 477 CO -0.00 0.56 -1.65 1.88 -2.27 0.00 0.00 179.45 177.97 3k4x h TYR 478 N 0.87 0.22 -0.04 1.91 0.05 -1.39 -3.25 116.97 115.33 3k4x h TYR 478 Ca 0.50 -0.16 -0.04 0.00 0.05 0.00 0.00 58.73 59.08 3k4x h TYR 478 Cb 0.59 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 3k4x h TYR 478 CO -0.02 1.25 -0.18 -0.07 -1.05 0.00 0.00 178.16 178.09 3k4x h LEU 479 N 0.03 0.06 -0.89 3.88 3.38 -1.39 -1.44 115.31 118.95 3k4x h LEU 479 Ca -0.27 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 3k4x h LEU 479 Cb 1.99 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.72 3k4x h LEU 479 CO 0.11 0.25 -0.34 -0.07 0.09 0.00 0.00 178.44 178.49 3k4x h LEU 480 N 0.06 0.00 -0.10 1.67 3.38 -1.48 -1.77 115.31 117.07 3k4x h LEU 480 Ca 0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 3k4x h LEU 480 Cb 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3k4x h LEU 480 CO 0.02 0.34 -0.78 0.44 0.09 0.00 0.00 178.44 178.55 3k4x h ASP 481 N 0.00 0.00 -0.02 -0.43 3.32 -1.36 -3.33 116.42 114.59 3k4x h ASP 481 Ca -0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 3k4x h ASP 481 Cb 0.90 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.47 3k4x h ASP 481 CO 0.04 0.78 -0.83 0.40 -1.72 0.00 0.00 179.24 177.92 3k4x h ILE 482 N 0.00 1.33 0.00 0.35 2.04 -0.90 -3.13 117.51 117.21 3k4x h ILE 482 Ca -0.01 -2.13 0.00 0.00 1.00 0.00 0.00 64.86 63.72 3k4x h ILE 482 Cb 1.56 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 40.04 3k4x h ILE 482 CO 0.10 0.65 0.00 2.30 0.00 0.00 0.00 178.15 181.20 3k4x n ILE 483 N -4.01 0.88 0.25 -0.67 -5.35 -0.70 -2.24 119.36 107.51 3k4x n ILE 483 Ca -0.10 0.22 0.12 0.00 -0.27 0.00 0.00 62.75 62.72 3k4x n ILE 483 Cb 0.78 -1.07 0.66 0.00 -1.74 0.00 0.00 39.64 38.27 3k4x n ILE 483 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 3k4x h LYS 484 N 0.00 0.00 -0.44 6.28 1.79 -1.65 -2.51 116.57 120.04 3k4x h LYS 484 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3k4x h LYS 484 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 3k4x h LYS 484 CO 0.00 0.15 0.00 0.41 -1.08 0.00 0.00 179.45 178.93 3k4x n GLY 485 N -0.46 0.95 0.23 3.86 0.00 -0.95 -4.13 105.19 104.70 3k4x n GLY 485 Ca -0.01 -0.40 0.16 0.00 0.00 0.00 0.00 46.02 45.77 3k4x n GLY 485 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3k4x h SER 486 N 2.08 0.00 0.20 1.61 0.02 -1.66 -2.20 113.55 113.59 3k4x h SER 486 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3k4x h SER 486 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3k4x h SER 486 CO 0.04 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.19 3k4x n SER 487 N -2.77 0.00 -0.07 3.07 3.41 -1.26 -3.55 113.62 112.46 3k4x n SER 487 Ca 0.00 -0.59 -0.10 0.00 -0.26 0.00 0.00 58.87 57.93 3k4x n SER 487 Cb 0.23 -0.11 -0.15 0.00 -0.26 0.00 0.00 64.21 63.92 3k4x n SER 487 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3k4x n LEU 488 N -1.11 0.57 -3.82 1.04 4.77 -0.83 -4.99 117.00 112.62 3k4x n LEU 488 Ca 0.18 0.16 -0.12 0.00 -0.03 0.00 0.00 56.01 56.20 3k4x n LEU 488 Cb 0.14 0.25 -0.10 0.00 -2.33 0.00 0.00 43.42 41.38 3k4x n LEU 488 CO 0.18 0.49 -0.12 -0.55 -1.33 0.00 0.00 177.39 176.06 3k4x s SER 489 N -5.82 -0.11 0.50 -1.43 0.15 -1.23 -4.74 113.70 101.02 3k4x s SER 489 Ca -0.09 0.08 0.15 0.00 0.70 0.00 0.00 55.95 56.79 3k4x s SER 489 Cb 0.07 0.31 1.21 0.00 -1.71 0.00 0.00 66.02 65.90 3k4x s SER 489 CO 0.82 -0.28 2.12 0.44 1.20 0.00 0.00 173.24 177.53 3k4x h ASP 490 N 4.75 0.01 -2.05 5.45 3.32 -1.89 -3.42 116.42 122.59 3k4x h ASP 490 Ca -0.29 -0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.18 3k4x h ASP 490 Cb 1.19 -0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.60 3k4x h ASP 490 CO 0.39 0.04 -0.58 -0.13 -1.72 0.00 0.00 179.24 177.24 3k4x s ARG 491 N -5.00 1.90 -0.06 3.56 0.52 -1.26 -0.54 118.95 118.07 3k4x s ARG 491 Ca -0.05 -2.10 -0.03 0.00 -0.52 0.00 0.00 55.73 53.03 3k4x s ARG 491 Cb 0.17 -1.32 0.03 0.00 0.52 0.00 0.00 34.95 34.35 3k4x s ARG 491 CO 0.68 -0.16 0.14 0.54 0.02 0.00 0.00 175.30 176.51 3k4x s VAL 492 N -2.94 -0.04 -0.13 3.52 0.11 -0.30 -4.49 120.40 116.12 3k4x s VAL 492 Ca 0.31 0.14 -0.13 0.00 -2.93 0.00 0.00 61.98 59.37 3k4x s VAL 492 Cb 0.08 -0.23 -0.05 0.00 -1.53 0.00 0.00 36.38 34.66 3k4x s VAL 492 CO 0.15 0.06 0.28 -0.83 -3.33 0.00 0.00 175.10 171.43 3k4x s GLY 493 N 0.93 2.24 -0.32 6.54 0.00 -0.36 -2.57 107.32 113.78 3k4x s GLY 493 Ca -0.07 -0.45 0.02 0.00 0.00 0.00 0.00 44.72 44.21 3k4x s GLY 493 CO -0.05 0.26 0.06 -0.42 0.00 0.00 0.00 173.10 172.96 3k4x s ILE 494 N 0.01 1.58 -0.19 0.90 1.01 0.87 -1.06 121.20 124.31 3k4x s ILE 494 Ca 0.17 -1.82 -0.21 0.00 0.00 0.00 0.00 60.65 58.79 3k4x s ILE 494 Cb -0.13 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 3k4x s ILE 494 CO 0.05 -0.60 0.64 -0.13 0.00 0.00 0.00 174.94 174.90 3k4x s ARG 495 N 1.27 4.22 -0.16 2.79 3.00 -0.20 -1.86 118.95 128.01 3k4x s ARG 495 Ca 0.09 0.63 0.00 0.00 0.00 0.00 0.00 55.73 56.46 3k4x s ARG 495 Cb -0.18 -3.57 0.03 0.00 0.00 0.00 0.00 34.95 31.22 3k4x s ARG 495 CO -0.16 -0.23 -0.13 -0.51 0.00 0.00 0.00 175.30 174.27 3k4x s LEU 496 N 1.87 1.76 0.22 2.53 1.43 -0.05 -0.74 118.68 125.71 3k4x s LEU 496 Ca 0.29 -0.55 0.11 0.00 -1.03 0.00 0.00 54.13 52.95 3k4x s LEU 496 Cb -0.16 -1.17 -0.05 0.00 0.03 0.00 0.00 46.19 44.84 3k4x s LEU 496 CO 0.11 -0.07 -0.20 -0.55 0.23 0.00 0.00 176.35 175.86 3k4x s SER 497 N 1.48 3.22 0.14 2.29 0.15 -1.26 -1.88 113.70 117.84 3k4x s SER 497 Ca 0.04 -0.95 0.25 0.00 0.70 0.00 0.00 55.95 55.99 3k4x s SER 497 Cb -0.13 -0.23 0.53 0.00 -1.71 0.00 0.00 66.02 64.47 3k4x s SER 497 CO -0.10 0.01 1.49 -1.54 1.20 0.00 0.00 173.24 174.30 3k4x n SER 498 N -0.18 0.70 0.00 5.45 3.41 -1.26 -4.16 113.62 117.58 3k4x n SER 498 Ca -0.09 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 3k4x n SER 498 Cb 0.58 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3k4x n SER 498 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3k4x n GLU 499 N -2.10 3.16 -4.10 4.33 4.71 -1.26 -5.05 120.64 120.32 3k4x n GLU 499 Ca 0.04 0.00 -0.23 0.00 -0.01 0.00 0.00 57.16 56.97 3k4x n GLU 499 Cb 0.43 -0.68 -0.04 0.00 -1.01 0.00 0.00 31.44 30.13 3k4x n GLU 499 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3k4x s ALA 500 N -1.26 3.61 0.47 0.62 0.00 -1.26 -5.09 121.76 118.84 3k4x s ALA 500 Ca 0.00 -1.37 -0.24 0.00 0.00 0.00 0.00 51.96 50.35 3k4x s ALA 500 Cb 0.00 -1.34 -0.07 0.00 0.00 0.00 0.00 23.12 21.70 3k4x s ALA 500 CO 0.00 0.30 1.34 -2.14 0.00 0.00 0.00 175.76 175.26 3k4x s PRO 501 N -3.71 3.62 0.19 0.00 0.02 -1.26 -4.26 135.00 129.61 3k4x s PRO 501 Ca 0.33 2.21 -0.31 0.00 0.02 0.00 0.00 61.00 63.25 3k4x s PRO 501 Cb -0.08 -2.54 -0.09 0.00 0.02 0.00 0.00 34.50 31.80 3k4x s PRO 501 CO 0.25 -0.80 1.43 0.00 -0.33 0.00 0.00 177.00 177.56 3k4x s ALA 502 N -1.29 3.63 -0.19 -1.55 0.00 0.10 -4.64 121.76 117.82 3k4x s ALA 502 Ca 0.63 1.25 -0.03 0.00 0.00 0.00 0.00 51.96 53.80 3k4x s ALA 502 Cb -0.39 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.16 3k4x s ALA 502 CO 0.49 -0.68 -0.05 -1.17 0.00 0.00 0.00 175.76 174.35 3k4x s LEU 503 N 0.34 2.98 -0.17 0.00 2.96 0.08 -0.83 118.68 124.04 3k4x s LEU 503 Ca 0.62 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.23 3k4x s LEU 503 Cb -0.40 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 44.56 3k4x s LEU 503 CO 0.37 0.06 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.92 3k4x s PHE 504 N 1.02 2.78 -0.02 5.38 0.40 0.13 -1.04 117.98 126.63 3k4x s PHE 504 Ca 0.00 -1.40 0.05 0.00 -0.60 0.00 0.00 56.93 54.99 3k4x s PHE 504 Cb -0.15 -1.92 -0.01 0.00 0.51 0.00 0.00 43.02 41.46 3k4x s PHE 504 CO 0.00 -0.68 -0.18 -1.14 0.70 0.00 0.00 175.22 173.93 3k4x s GLN 505 N 1.13 1.55 -0.24 0.44 0.74 -0.22 0.69 119.66 123.76 3k4x s GLN 505 Ca 0.01 -0.63 -0.00 0.00 0.05 0.00 0.00 55.36 54.79 3k4x s GLN 505 Cb -0.14 -1.44 0.03 0.00 1.10 0.00 0.00 33.01 32.56 3k4x s GLN 505 CO -0.07 0.34 -0.10 -0.06 -0.55 0.00 0.00 175.29 174.85 3k4x s PHE 506 N -0.26 3.05 -0.15 1.67 0.08 0.31 -1.22 117.98 121.46 3k4x s PHE 506 Ca 0.03 -1.74 -0.29 0.00 0.12 0.00 0.00 56.93 55.05 3k4x s PHE 506 Cb -0.08 -2.01 -0.01 0.00 -0.57 0.00 0.00 43.02 40.35 3k4x s PHE 506 CO 0.00 -0.78 1.17 -0.51 -0.10 0.00 0.00 175.22 175.00 3k4x s ASP 507 N 1.27 7.04 0.49 1.36 1.01 -1.26 -1.53 116.67 125.05 3k4x s ASP 507 Ca -0.01 1.63 0.08 0.00 0.71 0.00 0.00 52.55 54.96 3k4x s ASP 507 Cb -0.17 -2.55 0.04 0.00 1.01 0.00 0.00 42.92 41.26 3k4x s ASP 507 CO -0.06 -0.66 0.67 -0.76 0.21 0.00 0.00 175.17 174.57 3k4x s LEU 508 N 2.94 3.42 -0.44 1.23 1.43 -0.86 -4.49 118.68 121.91 3k4x s LEU 508 Ca 0.52 -0.52 -0.29 0.00 -1.03 0.00 0.00 54.13 52.81 3k4x s LEU 508 Cb -0.21 -2.32 0.01 0.00 0.03 0.00 0.00 46.19 43.71 3k4x s LEU 508 CO 0.15 -1.02 1.37 -0.75 0.23 0.00 0.00 176.35 176.33 3k4x s LYS 509 N -4.51 3.57 -0.21 1.70 2.20 -1.26 -3.26 119.74 117.96 3k4x s LYS 509 Ca 0.58 0.84 0.00 0.00 -0.36 0.00 0.00 55.97 57.03 3k4x s LYS 509 Cb -0.08 -4.02 0.00 0.00 -1.51 0.00 0.00 37.83 32.22 3k4x s LYS 509 CO 0.36 -1.58 0.00 0.45 -0.36 0.00 0.00 175.35 174.22 3k4x n SER 510 N 8.76 -3.65 -0.50 1.43 2.88 -1.26 -3.91 113.62 117.36 3k4x n SER 510 Ca 0.16 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 3k4x n SER 510 Cb 0.48 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 3k4x n SER 510 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3k4x n GLY 511 N -2.21 2.95 3.54 0.46 0.00 -1.20 -0.79 105.19 107.94 3k4x n GLY 511 Ca -0.02 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 3k4x n GLY 511 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3k4x s PHE 512 N -5.05 -0.34 -0.17 1.61 -0.12 -0.52 -2.03 117.98 111.35 3k4x s PHE 512 Ca 0.00 0.40 0.01 0.00 -0.05 0.00 0.00 56.93 57.30 3k4x s PHE 512 Cb 0.00 0.49 0.02 0.00 -0.63 0.00 0.00 43.02 42.90 3k4x s PHE 512 CO 0.00 -0.43 -0.21 -1.17 -0.05 0.00 0.00 175.22 173.37 3k4x s LEU 513 N -1.83 2.13 0.04 -1.99 2.96 -0.58 -1.28 118.68 118.13 3k4x s LEU 513 Ca 0.02 -0.64 0.06 0.00 -0.22 0.00 0.00 54.13 53.36 3k4x s LEU 513 Cb -0.01 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 3k4x s LEU 513 CO -0.04 0.02 -0.14 -1.10 -1.32 0.00 0.00 176.35 173.77 3k4x s GLN 514 N 1.15 2.18 -0.17 1.98 -0.21 0.15 -0.53 119.66 124.21 3k4x s GLN 514 Ca 0.01 -0.93 0.00 0.00 0.02 0.00 0.00 55.36 54.47 3k4x s GLN 514 Cb -0.14 -2.27 0.03 0.00 1.00 0.00 0.00 33.01 31.63 3k4x s GLN 514 CO -0.10 0.55 -0.11 -0.06 -2.12 0.00 0.00 175.29 173.46 3k4x s PHE 515 N -0.98 2.16 -0.18 0.91 0.40 0.22 -0.45 117.98 120.06 3k4x s PHE 515 Ca 0.16 -1.34 -0.13 0.00 -0.60 0.00 0.00 56.93 55.02 3k4x s PHE 515 Cb -0.11 -1.55 -0.05 0.00 0.51 0.00 0.00 43.02 41.83 3k4x s PHE 515 CO 0.07 -0.68 0.28 -0.06 0.70 0.00 0.00 175.22 175.52 3k4x s PHE 516 N 1.48 3.43 0.00 0.36 0.40 0.13 -0.69 117.98 123.09 3k4x s PHE 516 Ca 0.01 0.54 0.03 0.00 -0.60 0.00 0.00 56.93 56.91 3k4x s PHE 516 Cb -0.15 -2.35 -0.01 0.00 0.51 0.00 0.00 43.02 41.03 3k4x s PHE 516 CO -0.09 0.19 -0.09 -1.17 0.70 0.00 0.00 175.22 174.76 3k4x s LEU 517 N 0.64 2.06 -0.03 -0.37 2.96 -0.01 -0.69 118.68 123.24 3k4x s LEU 517 Ca 0.15 -0.23 -0.13 0.00 -0.22 0.00 0.00 54.13 53.70 3k4x s LEU 517 Cb -0.13 -0.44 -0.05 0.00 0.50 0.00 0.00 46.19 46.07 3k4x s LEU 517 CO 0.04 0.07 0.36 0.00 -1.32 0.00 0.00 176.35 175.49 3k4x s ALA 518 N -0.40 3.73 1.08 5.97 0.00 -1.15 -0.73 121.76 130.27 3k4x s ALA 518 Ca 0.02 -0.30 -0.17 0.00 0.00 0.00 0.00 51.96 51.51 3k4x s ALA 518 Cb -0.05 -2.31 0.23 0.00 0.00 0.00 0.00 23.12 21.00 3k4x s ALA 518 CO -0.00 0.50 1.15 -2.14 0.00 0.00 0.00 175.76 175.27 3k4x s PRO 519 N -1.03 -0.25 0.49 0.00 0.02 -1.26 -4.78 135.00 128.18 3k4x s PRO 519 Ca 0.22 -0.00 0.00 0.00 0.02 0.00 0.00 61.00 61.24 3k4x s PRO 519 Cb -0.16 -1.70 0.00 0.00 0.02 0.00 0.00 34.50 32.66 3k4x s PRO 519 CO 0.11 -3.08 0.03 1.63 -0.33 0.00 0.00 177.00 175.36 3k4x n LYS 520 N -4.33 0.82 -3.71 5.54 5.02 0.64 -4.96 118.16 117.19 3k4x n LYS 520 Ca 0.11 -3.50 -0.29 0.00 -2.02 0.00 0.00 58.31 52.62 3k4x n LYS 520 Cb 0.59 0.89 -0.16 0.00 -0.02 0.00 0.00 35.03 36.34 3k4x n LYS 520 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3k4x s PHE 521 N -2.73 1.21 0.00 2.13 0.08 -1.26 -4.59 117.98 112.82 3k4x s PHE 521 Ca 0.02 -1.21 0.00 0.00 0.12 0.00 0.00 56.93 55.87 3k4x s PHE 521 Cb -0.00 -1.28 0.00 0.00 -0.57 0.00 0.00 43.02 41.17 3k4x s PHE 521 CO 0.01 -0.74 0.00 0.09 -0.10 0.00 0.00 175.22 174.48 3k4x n ASN 522 N 4.99 0.00 -2.24 1.36 3.02 -1.26 -5.19 115.26 115.95 3k4x n ASN 522 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 3k4x n ASN 522 Cb 0.44 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 3k4x n ASN 522 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3k4x n LEU 536 N 0.00 -6.34 -3.56 3.41 7.94 -1.07 -5.24 117.00 112.14 3k4x n LEU 536 Ca 0.00 3.13 -0.29 0.00 -1.11 0.00 0.00 56.01 57.74 3k4x n LEU 536 Cb 0.00 -3.23 -0.15 0.00 0.53 0.00 0.00 43.42 40.57 3k4x n LEU 536 CO 0.00 -2.35 -0.33 -0.70 -1.11 0.00 0.00 177.39 172.90 3k4x s GLU 537 N -0.56 0.21 -0.28 1.96 2.12 -0.92 -1.90 118.70 119.33 3k4x s GLU 537 Ca 0.00 -0.53 -0.00 0.00 0.36 0.00 0.00 54.97 54.80 3k4x s GLU 537 Cb 0.00 -1.26 0.05 0.00 0.26 0.00 0.00 34.13 33.18 3k4x s GLU 537 CO 0.00 -0.99 -0.04 0.00 -0.54 0.00 0.00 175.26 173.69 3k4x s ALA 538 N 2.07 2.73 -0.35 6.30 0.00 -0.36 -1.57 121.76 130.58 3k4x s ALA 538 Ca 0.08 -1.75 -0.12 0.00 0.00 0.00 0.00 51.96 50.18 3k4x s ALA 538 Cb -0.16 -1.81 -0.00 0.00 0.00 0.00 0.00 23.12 21.15 3k4x s ALA 538 CO -0.34 -1.22 0.23 0.21 0.00 0.00 0.00 175.76 174.63 3k4x s LYS 539 N 1.21 3.25 0.26 0.00 2.20 -0.04 -0.38 119.74 126.24 3k4x s LYS 539 Ca -0.06 -0.80 -0.30 0.00 -0.36 0.00 0.00 55.97 54.45 3k4x s LYS 539 Cb -0.20 -3.77 -0.09 0.00 -1.51 0.00 0.00 37.83 32.26 3k4x s LYS 539 CO -0.02 -0.54 1.08 -0.06 -0.36 0.00 0.00 175.35 175.45 3k4x s PHE 540 N 1.66 3.63 0.08 4.03 0.08 0.12 -0.38 117.98 127.20 3k4x s PHE 540 Ca 0.05 1.70 -0.32 0.00 0.12 0.00 0.00 56.93 58.48 3k4x s PHE 540 Cb -0.18 -3.25 -0.17 0.00 -0.57 0.00 0.00 43.02 38.85 3k4x s PHE 540 CO 0.09 -0.46 1.63 1.49 -0.10 0.00 0.00 175.22 177.88 3k4x h GLU 541 N 4.11 -0.77 -5.03 0.44 4.57 -1.88 -3.31 114.58 112.71 3k4x h GLU 541 Ca -0.46 0.05 -0.66 0.00 -1.18 0.00 0.00 59.36 57.11 3k4x h GLU 541 Cb 1.21 0.17 -0.35 0.00 -0.16 0.00 0.00 28.75 29.63 3k4x h GLU 541 CO 0.68 -0.51 -0.86 -1.21 -1.18 0.00 0.00 179.01 175.93 3k4x s GLU 542 N -6.06 2.88 0.47 1.92 0.41 -1.26 -4.68 118.70 112.38 3k4x s GLU 542 Ca -0.17 -0.79 0.18 0.00 -0.41 0.00 0.00 54.97 53.78 3k4x s GLU 542 Cb 0.04 -2.45 1.16 0.00 -1.78 0.00 0.00 34.13 31.10 3k4x s GLU 542 CO 0.63 -0.16 1.98 0.00 -0.49 0.00 0.00 175.26 177.22 3k4x h ALA 543 N 7.78 2.18 -0.65 5.21 0.00 -1.21 -1.09 119.26 131.48 3k4x h ALA 543 Ca -0.41 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.64 3k4x h ALA 543 Cb 1.15 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3k4x h ALA 543 CO 0.60 -0.32 0.45 0.66 0.00 0.00 0.00 179.25 180.63 3k4x h SER 544 N 0.26 0.20 0.16 0.00 4.64 -1.48 -2.46 113.55 114.87 3k4x h SER 544 Ca 0.27 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.61 3k4x h SER 544 Cb 0.71 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.75 3k4x h SER 544 CO -0.06 0.11 -0.18 0.25 -0.87 0.00 0.00 176.83 176.08 3k4x h LEU 545 N 0.21 -0.48 -1.48 5.97 5.85 -1.48 -0.87 115.31 123.04 3k4x h LEU 545 Ca 0.31 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 59.02 3k4x h LEU 545 Cb 0.93 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3k4x h LEU 545 CO -0.06 -0.27 -0.26 0.15 -0.34 0.00 0.00 178.44 177.66 3k4x h PHE 546 N -0.38 0.00 -0.12 1.25 3.57 -1.61 -2.17 116.94 117.48 3k4x h PHE 546 Ca 0.01 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 3k4x h PHE 546 Cb 0.37 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 3k4x h PHE 546 CO -0.15 0.26 -0.08 -0.22 -2.23 0.00 0.00 178.31 175.89 3k4x h LYS 547 N 0.00 0.27 0.00 1.11 3.11 -1.18 -2.52 116.57 117.35 3k4x h LYS 547 Ca -0.00 -0.13 -0.06 0.00 -2.81 0.00 0.00 60.65 57.65 3k4x h LYS 547 Cb 0.54 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 3k4x h LYS 547 CO 0.03 0.64 -0.27 0.07 -2.81 0.00 0.00 179.45 177.11 3k4x h ARG 548 N -0.10 0.00 0.18 1.90 0.11 -1.02 -2.05 114.38 113.40 3k4x h ARG 548 Ca 0.02 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.10 3k4x h ARG 548 Cb 0.57 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.65 3k4x h ARG 548 CO 0.02 0.27 -0.09 0.82 0.10 0.00 0.00 179.97 181.10 3k4x h ILE 549 N 0.00 0.91 -0.33 0.08 2.04 -1.32 -2.34 117.51 116.55 3k4x h ILE 549 Ca -0.00 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 3k4x h ILE 549 Cb 0.77 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 3k4x h ILE 549 CO 0.04 0.11 -0.00 0.40 0.00 0.00 0.00 178.15 178.70 3k4x h ILE 550 N -0.49 1.19 0.00 -0.67 1.08 -1.33 -0.95 117.51 116.34 3k4x h ILE 550 Ca -0.03 -0.77 0.00 0.00 -0.39 0.00 0.00 64.86 63.67 3k4x h ILE 550 Cb 0.38 0.95 0.00 0.00 -3.07 0.00 0.00 36.82 35.08 3k4x h ILE 550 CO 0.04 0.26 0.00 0.44 -0.69 0.00 0.00 178.15 178.20 3k4x h ASP 551 N 0.49 0.00 1.25 1.72 3.32 -1.34 -0.43 116.42 121.43 3k4x h ASP 551 Ca 0.11 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3k4x h ASP 551 Cb 0.32 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 3k4x h ASP 551 CO 0.01 0.00 -0.11 1.23 -1.72 0.00 0.00 179.24 178.65 3k4x h GLY 552 N 1.79 0.00 -0.52 2.75 0.00 -0.59 -3.36 103.07 103.13 3k4x h GLY 552 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k4x h GLY 552 CO 0.00 0.00 -0.19 1.97 0.00 0.00 0.00 176.54 178.32 3k4x n PHE 553 N -3.20 0.00 0.42 5.60 -1.74 -1.14 -4.05 117.46 113.35 3k4x n PHE 553 Ca 0.01 0.00 0.13 0.00 -0.56 0.00 0.00 57.45 57.03 3k4x n PHE 553 Cb 0.43 0.04 0.49 0.00 1.52 0.00 0.00 39.48 41.96 3k4x n PHE 553 CO 0.00 0.00 0.00 1.57 -0.56 0.00 0.00 176.76 177.77 3k4x h LYS 554 N 0.00 0.00 0.00 3.97 2.10 -1.23 -2.54 116.57 118.87 3k4x h LYS 554 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 3k4x h LYS 554 Cb 1.15 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.47 3k4x h LYS 554 CO 0.00 0.00 -1.14 -0.44 -2.00 0.00 0.00 179.45 175.87 3k4x h ASP 555 N 0.00 0.00 0.06 7.07 5.19 -1.84 -3.38 116.42 123.52 3k4x h ASP 555 Ca 0.00 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.29 3k4x h ASP 555 Cb 0.44 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.96 3k4x h ASP 555 CO 0.00 0.22 -0.57 0.00 -3.12 0.00 0.00 179.24 175.77 3k4x s VAL 557 N -2.33 1.25 -0.08 0.00 -7.23 -1.07 -4.60 120.40 106.33 3k4x s VAL 557 Ca -0.19 -0.65 -0.11 0.00 -1.81 0.00 0.00 61.98 59.22 3k4x s VAL 557 Cb 0.00 -1.05 -0.29 0.00 0.56 0.00 0.00 36.38 35.60 3k4x s VAL 557 CO 0.73 0.36 0.56 -0.61 -0.31 0.00 0.00 175.10 175.83 3k4x h GLN 558 N 5.93 0.33 -5.69 4.82 4.15 -1.89 -3.42 115.11 119.36 3k4x h GLN 558 Ca -0.35 -0.57 -0.68 0.00 0.77 0.00 0.00 58.65 57.82 3k4x h GLN 558 Cb 1.16 0.21 -0.32 0.00 0.21 0.00 0.00 27.48 28.75 3k4x h GLN 558 CO 0.48 1.27 -0.88 -0.51 -1.93 0.00 0.00 178.83 177.27 3k4x s LEU 559 N -7.28 2.12 -0.15 -2.39 1.43 -1.26 -1.93 118.68 109.21 3k4x s LEU 559 Ca -0.19 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.26 3k4x s LEU 559 Cb 0.06 -1.40 0.04 0.00 0.03 0.00 0.00 46.19 44.91 3k4x s LEU 559 CO 0.81 0.20 0.40 0.54 0.23 0.00 0.00 176.35 178.54 3k4x s VAL 560 N 0.08 -0.00 0.14 -1.59 0.11 -1.05 -4.92 120.40 113.16 3k4x s VAL 560 Ca -0.11 0.01 -0.29 0.00 -2.93 0.00 0.00 61.98 58.67 3k4x s VAL 560 Cb -0.16 -0.57 -0.07 0.00 -1.53 0.00 0.00 36.38 34.06 3k4x s VAL 560 CO 0.06 0.01 0.91 0.20 -3.33 0.00 0.00 175.10 172.94 3k4x s ASN 561 N 0.38 7.48 -0.70 3.54 0.01 -1.26 -1.89 114.94 122.50 3k4x s ASN 561 Ca -0.01 1.77 -0.06 0.00 -0.71 0.00 0.00 52.86 53.84 3k4x s ASN 561 Cb -0.04 -2.57 0.18 0.00 0.41 0.00 0.00 41.25 39.24 3k4x s ASN 561 CO -0.01 0.03 0.55 -0.36 -1.51 0.00 0.00 177.10 175.81 3k4x s PHE 562 N -0.44 3.52 -0.18 2.20 0.08 -0.06 -4.39 117.98 118.71 3k4x s PHE 562 Ca 0.43 -2.54 -0.29 0.00 0.12 0.00 0.00 56.93 54.65 3k4x s PHE 562 Cb -0.24 -3.37 -0.02 0.00 -0.57 0.00 0.00 43.02 38.82 3k4x s PHE 562 CO 0.29 -0.87 1.38 -0.65 -0.10 0.00 0.00 175.22 175.27 3k4x s GLN 563 N -0.10 4.10 -0.20 0.44 -0.21 -0.44 -1.50 119.66 121.75 3k4x s GLN 563 Ca 0.18 1.67 -0.05 0.00 0.02 0.00 0.00 55.36 57.18 3k4x s GLN 563 Cb -0.17 -3.86 -0.02 0.00 1.00 0.00 0.00 33.01 29.96 3k4x s GLN 563 CO -0.05 -0.89 -0.01 0.00 -2.12 0.00 0.00 175.29 172.22 3k4x n LYS 565 N 4.28 0.70 0.22 0.00 4.76 -0.37 -2.48 118.16 125.28 3k4x n LYS 565 Ca -0.17 -3.52 0.15 0.00 -2.87 0.00 0.00 58.31 51.90 3k4x n LYS 565 Cb 0.52 1.39 0.70 0.00 -1.84 0.00 0.00 35.03 35.79 3k4x n LYS 565 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3k4x h GLU 566 N 0.00 0.00 -0.27 1.97 3.07 -1.96 -2.77 114.58 114.62 3k4x h GLU 566 Ca -0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.49 3k4x h GLU 566 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3k4x h GLU 566 CO 0.59 0.00 0.00 -0.40 -1.40 0.00 0.00 179.01 177.80 3k4x n ASP 567 N -2.67 2.90 0.00 1.42 5.68 -1.26 -4.90 116.55 117.72 3k4x n ASP 567 Ca 0.00 -1.85 0.00 0.00 -0.50 0.00 0.00 54.79 52.44 3k4x n ASP 567 Cb 0.20 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 3k4x n ASP 567 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k4x n GLY 568 N 1.01 0.85 3.54 6.12 0.00 -1.05 -3.32 105.19 112.33 3k4x n GLY 568 Ca 0.14 -2.02 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 3k4x n GLY 568 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4x s ILE 569 N -1.39 4.18 0.14 -0.61 1.01 -0.29 -1.24 121.20 123.00 3k4x s ILE 569 Ca 0.00 -0.25 0.06 0.00 0.00 0.00 0.00 60.65 60.46 3k4x s ILE 569 Cb 0.00 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 3k4x s ILE 569 CO 0.00 0.48 -0.14 0.27 0.00 0.00 0.00 174.94 175.55 3k4x s ILE 570 N 0.42 1.41 -0.17 2.92 -5.25 -0.21 0.42 121.20 120.73 3k4x s ILE 570 Ca -0.01 -1.88 -0.09 0.00 -0.99 0.00 0.00 60.65 57.68 3k4x s ILE 570 Cb -0.14 -1.70 0.07 0.00 2.95 0.00 0.00 42.46 43.64 3k4x s ILE 570 CO 0.02 -0.49 0.41 0.00 -1.79 0.00 0.00 174.94 173.08 3k4x s ALA 571 N -2.47 -1.06 -0.07 2.27 0.00 -0.60 -1.33 121.76 118.50 3k4x s ALA 571 Ca 0.13 1.51 0.03 0.00 0.00 0.00 0.00 51.96 53.63 3k4x s ALA 571 Cb -0.03 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 3k4x s ALA 571 CO 0.03 -0.37 -0.15 -0.65 0.00 0.00 0.00 175.76 174.62 3k4x s GLN 572 N 1.67 2.68 -0.17 0.00 1.11 -1.26 0.05 119.66 123.74 3k4x s GLN 572 Ca -0.08 -0.71 -0.15 0.00 0.01 0.00 0.00 55.36 54.44 3k4x s GLN 572 Cb -0.09 -2.41 0.05 0.00 -1.01 0.00 0.00 33.01 29.54 3k4x s GLN 572 CO -0.13 0.53 0.45 0.00 0.01 0.00 0.00 175.29 176.15 3k4x s ALA 573 N -0.48 -1.12 -0.10 6.09 0.00 -0.51 -4.57 121.76 121.07 3k4x s ALA 573 Ca 0.06 1.32 0.03 0.00 0.00 0.00 0.00 51.96 53.38 3k4x s ALA 573 Cb -0.12 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.23 3k4x s ALA 573 CO 0.02 -0.22 -0.21 0.08 0.00 0.00 0.00 175.76 175.43 3k4x s VAL 574 N 0.42 1.84 0.92 0.00 1.01 -1.26 0.10 120.40 123.43 3k4x s VAL 574 Ca -0.01 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 3k4x s VAL 574 Cb -0.04 -1.61 0.15 0.00 0.00 0.00 0.00 36.38 34.87 3k4x s VAL 574 CO -0.02 0.51 1.10 1.51 0.00 0.00 0.00 175.10 178.20 3k4x s ASP 575 N 0.51 3.10 0.29 3.32 1.47 -1.09 -4.84 116.67 119.42 3k4x s ASP 575 Ca -0.16 1.75 0.02 0.00 1.18 0.00 0.00 52.55 55.34 3k4x s ASP 575 Cb -0.17 -2.37 0.58 0.00 -0.34 0.00 0.00 42.92 40.62 3k4x s ASP 575 CO 0.06 -2.92 1.83 0.44 0.68 0.00 0.00 175.17 175.26 3k4x h ASP 576 N -1.74 0.91 0.14 2.11 3.32 -1.94 0.24 116.42 119.46 3k4x h ASP 576 Ca -0.49 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3k4x h ASP 576 Cb 1.28 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3k4x h ASP 576 CO 0.50 0.46 0.00 0.77 -1.72 0.00 0.00 179.24 179.25 3k4x h SER 577 N 0.96 0.00 0.00 6.45 4.64 -1.97 -3.45 113.55 120.19 3k4x h SER 577 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 3k4x h SER 577 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3k4x h SER 577 CO -0.28 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.22 3k4x n ARG 578 N -2.67 -0.60 0.04 4.77 5.12 0.83 -4.83 116.66 119.31 3k4x n ARG 578 Ca -0.02 0.15 -0.00 0.00 -1.93 0.00 0.00 57.85 56.05 3k4x n ARG 578 Cb 0.09 -3.80 -0.08 0.00 -1.16 0.00 0.00 32.46 27.51 3k4x n ARG 578 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 3k4x h VAL 579 N 0.00 0.56 -3.35 1.55 -1.51 -1.88 -3.47 116.25 108.15 3k4x h VAL 579 Ca 0.00 -2.07 -0.66 0.00 -1.23 0.00 0.00 66.70 62.74 3k4x h VAL 579 Cb 0.30 2.09 -0.27 0.00 -2.13 0.00 0.00 31.29 31.29 3k4x h VAL 579 CO 0.00 0.32 -0.77 -0.22 -1.23 0.00 0.00 177.57 175.67 3k4x s LEU 580 N -5.86 2.69 -0.18 4.19 2.96 -1.26 -2.66 118.68 118.55 3k4x s LEU 580 Ca -0.02 -0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 3k4x s LEU 580 Cb 0.09 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 45.17 3k4x s LEU 580 CO 0.81 0.17 -0.09 -0.22 -1.32 0.00 0.00 176.35 175.70 3k4x s LEU 581 N 0.30 2.76 -0.25 -0.68 2.96 -0.82 -2.69 118.68 120.26 3k4x s LEU 581 Ca -0.10 -0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 53.35 3k4x s LEU 581 Cb -0.16 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 3k4x s LEU 581 CO 0.06 0.06 0.06 -0.69 -1.32 0.00 0.00 176.35 174.51 3k4x s VAL 582 N 1.01 4.18 -0.26 1.68 1.01 0.12 -0.82 120.40 127.31 3k4x s VAL 582 Ca -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 3k4x s VAL 582 Cb -0.15 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.29 3k4x s VAL 582 CO -0.01 0.32 -0.05 -0.55 0.00 0.00 0.00 175.10 174.81 3k4x s SER 583 N 1.59 4.46 0.07 3.32 0.15 0.28 -1.43 113.70 122.14 3k4x s SER 583 Ca 0.06 -0.96 0.03 0.00 0.70 0.00 0.00 55.95 55.78 3k4x s SER 583 Cb -0.15 -1.68 -0.04 0.00 -1.71 0.00 0.00 66.02 62.44 3k4x s SER 583 CO 0.03 -0.16 0.04 -0.22 1.20 0.00 0.00 173.24 174.13 3k4x s LEU 584 N 1.31 3.66 -0.22 3.45 2.96 0.11 -0.08 118.68 129.87 3k4x s LEU 584 Ca -0.01 -0.05 -0.09 0.00 -0.22 0.00 0.00 54.13 53.76 3k4x s LEU 584 Cb -0.17 -2.32 0.09 0.00 0.50 0.00 0.00 46.19 44.29 3k4x s LEU 584 CO -0.04 0.19 0.49 -0.70 -1.32 0.00 0.00 176.35 174.98 3k4x s GLU 585 N -2.21 0.42 -0.29 1.98 -6.30 -0.80 -1.56 118.70 109.94 3k4x s GLU 585 Ca 0.26 1.10 0.03 0.00 -2.50 0.00 0.00 54.97 53.86 3k4x s GLU 585 Cb -0.12 0.36 0.08 0.00 0.00 0.00 0.00 34.13 34.45 3k4x s GLU 585 CO 0.19 -0.22 -0.03 0.42 0.02 0.00 0.00 175.26 175.64 3k4x s ILE 586 N 2.37 2.11 0.77 -3.70 1.01 0.17 -1.36 121.20 122.57 3k4x s ILE 586 Ca -0.05 -1.87 -0.11 0.00 0.00 0.00 0.00 60.65 58.62 3k4x s ILE 586 Cb -0.11 -2.37 0.06 0.00 0.01 0.00 0.00 42.46 40.04 3k4x s ILE 586 CO -0.15 -0.28 1.08 -0.83 0.00 0.00 0.00 174.94 174.76 3k4x s GLY 587 N 1.07 1.66 0.38 6.18 0.00 0.19 -1.14 107.32 115.66 3k4x s GLY 587 Ca -0.00 0.14 0.07 0.00 0.00 0.00 0.00 44.72 44.92 3k4x s GLY 587 CO -0.07 0.50 1.98 -2.08 0.00 0.00 0.00 173.10 173.43 3k4x h VAL 588 N -1.08 1.03 0.00 1.40 2.07 -1.81 -1.10 116.25 116.75 3k4x h VAL 588 Ca -0.45 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3k4x h VAL 588 Cb 1.24 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3k4x h VAL 588 CO 0.54 0.12 0.00 -0.62 0.02 0.00 0.00 177.57 177.63 3k4x n GLU 589 N -4.47 0.20 0.00 1.57 -0.58 -1.26 -1.28 120.64 114.82 3k4x n GLU 589 Ca 0.09 0.12 0.11 0.00 -0.42 0.00 0.00 57.16 57.06 3k4x n GLU 589 Cb 0.20 -1.50 0.09 0.00 -0.57 0.00 0.00 31.44 29.67 3k4x n GLU 589 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3k4x n ALA 590 N -1.18 3.89 -2.87 0.62 0.00 -0.42 -4.86 120.51 115.69 3k4x n ALA 590 Ca 0.06 -0.51 -0.27 0.00 0.00 0.00 0.00 53.44 52.72 3k4x n ALA 590 Cb 0.06 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 3k4x n ALA 590 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3k4x s PHE 591 N -2.80 3.32 -0.07 0.00 0.08 -0.40 -4.58 117.98 113.53 3k4x s PHE 591 Ca 0.14 0.06 0.21 0.00 0.12 0.00 0.00 56.93 57.46 3k4x s PHE 591 Cb 0.17 -1.60 0.51 0.00 -0.57 0.00 0.00 43.02 41.53 3k4x s PHE 591 CO 0.70 0.52 1.65 0.37 -0.10 0.00 0.00 175.22 178.36 3k4x h GLN 592 N 2.36 0.00 -1.83 0.44 4.15 -0.99 -3.46 115.11 115.77 3k4x h GLN 592 Ca -0.48 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.94 3k4x h GLN 592 Cb 1.19 0.00 -0.22 0.00 0.21 0.00 0.00 27.48 28.66 3k4x h GLN 592 CO 0.66 0.29 0.28 -2.00 -1.93 0.00 0.00 178.83 176.14 3k4x s GLU 593 N -3.31 0.76 -0.13 1.69 2.12 -1.04 -5.00 118.70 113.78 3k4x s GLU 593 Ca 0.03 0.64 -0.09 0.00 0.36 0.00 0.00 54.97 55.92 3k4x s GLU 593 Cb 0.08 0.37 0.05 0.00 0.26 0.00 0.00 34.13 34.88 3k4x s GLU 593 CO 0.68 -0.14 0.33 -0.47 -0.54 0.00 0.00 175.26 175.12 3k4x s TYR 594 N -0.14 -0.43 -0.00 5.30 5.04 -1.26 -0.86 117.35 125.00 3k4x s TYR 594 Ca -0.01 0.99 0.00 0.00 -2.44 0.00 0.00 57.07 55.61 3k4x s TYR 594 Cb -0.04 0.15 0.00 0.00 0.35 0.00 0.00 41.96 42.43 3k4x s TYR 594 CO 0.01 -0.25 -0.00 0.50 -1.34 0.00 0.00 175.55 174.46 3k4x s ARG 595 N 0.95 0.08 -0.33 4.97 3.52 -0.61 -5.00 118.95 122.54 3k4x s ARG 595 Ca -0.06 0.00 0.02 0.00 -0.13 0.00 0.00 55.73 55.55 3k4x s ARG 595 Cb -0.07 -0.12 0.15 0.00 -1.56 0.00 0.00 34.95 33.35 3k4x s ARG 595 CO -0.07 -0.01 0.35 0.00 -0.81 0.00 0.00 175.30 174.76 3k4x h ASP 597 N 7.72 0.00 -3.35 0.00 3.32 -1.98 -3.44 116.42 118.69 3k4x h ASP 597 Ca -0.04 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.83 3k4x h ASP 597 Cb 1.08 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.34 3k4x h ASP 597 CO 0.26 0.79 -0.44 -2.28 -1.72 0.00 0.00 179.24 175.86 3k4x s HIS 598 N -3.01 -0.39 -0.14 4.55 2.46 -1.26 -5.10 115.29 112.41 3k4x s HIS 598 Ca 0.01 0.89 -0.30 0.00 0.47 0.00 0.00 55.06 56.13 3k4x s HIS 598 Cb 0.10 0.10 -0.08 0.00 -0.13 0.00 0.00 32.58 32.57 3k4x s HIS 598 CO 0.79 -0.25 2.11 -2.30 -2.47 0.00 0.00 174.74 172.61 3k4x n PRO 599 N 4.18 2.20 -4.30 2.88 -0.02 -1.26 -4.76 135.00 133.91 3k4x n PRO 599 Ca -0.24 0.70 -0.27 0.00 -2.02 0.00 0.00 63.50 61.67 3k4x n PRO 599 Cb 0.54 -3.04 -0.09 0.00 -0.02 0.00 0.00 33.50 30.88 3k4x n PRO 599 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3k4x s VAL 600 N 6.60 3.12 -0.14 -1.45 -7.23 -1.03 -4.98 120.40 115.28 3k4x s VAL 600 Ca 0.97 -1.68 0.01 0.00 -1.81 0.00 0.00 61.98 59.47 3k4x s VAL 600 Cb -0.45 -2.54 0.02 0.00 0.56 0.00 0.00 36.38 33.97 3k4x s VAL 600 CO 0.40 -0.11 -0.16 -0.89 -0.31 0.00 0.00 175.10 174.03 3k4x s THR 601 N -1.70 1.69 -0.56 5.32 2.01 -1.26 -0.35 115.64 120.79 3k4x s THR 601 Ca 0.24 -0.73 -0.05 0.00 0.31 0.00 0.00 61.69 61.46 3k4x s THR 601 Cb -0.09 -1.55 0.15 0.00 0.01 0.00 0.00 72.50 71.02 3k4x s THR 601 CO 0.15 0.48 0.40 -0.76 -0.69 0.00 0.00 174.62 174.19 3k4x s LEU 602 N 1.20 5.50 -0.21 4.42 2.01 -0.56 -4.89 118.68 126.16 3k4x s LEU 602 Ca -0.00 -2.44 -0.29 0.00 0.01 0.00 0.00 54.13 51.40 3k4x s LEU 602 Cb -0.14 -1.92 -0.01 0.00 0.01 0.00 0.00 46.19 44.14 3k4x s LEU 602 CO -0.07 -0.50 1.23 -0.83 1.01 0.00 0.00 176.35 177.19 3k4x s GLY 603 N 1.54 1.60 0.09 -3.19 0.00 -1.26 -0.88 107.32 105.22 3k4x s GLY 603 Ca 0.13 0.33 0.05 0.00 0.00 0.00 0.00 44.72 45.22 3k4x s GLY 603 CO -0.04 2.46 -0.13 1.06 0.00 0.00 0.00 173.10 176.45 3k4x s MET 604 N 3.58 0.88 -0.47 2.90 -1.94 -0.79 -1.25 119.30 122.21 3k4x s MET 604 Ca 0.53 -1.10 -0.20 0.00 -1.71 0.00 0.00 55.69 53.21 3k4x s MET 604 Cb -0.19 -0.75 0.04 0.00 2.01 0.00 0.00 34.83 35.94 3k4x s MET 604 CO 0.15 0.15 0.63 0.34 -0.01 0.00 0.00 175.02 176.27 3k4x s ASP 605 N -2.16 6.27 0.40 3.03 3.68 -1.26 -2.54 116.67 124.09 3k4x s ASP 605 Ca 0.03 -0.61 0.13 0.00 2.13 0.00 0.00 52.55 54.24 3k4x s ASP 605 Cb -0.06 -2.30 0.97 0.00 -1.45 0.00 0.00 42.92 40.08 3k4x s ASP 605 CO 0.02 -0.83 1.91 -0.07 0.13 0.00 0.00 175.17 176.33 3k4x h LEU 606 N 9.69 0.47 -1.29 -1.34 3.38 -1.70 0.24 115.31 124.76 3k4x h LEU 606 Ca -0.26 0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.78 3k4x h LEU 606 Cb 1.10 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 3k4x h LEU 606 CO 0.92 0.25 0.50 0.74 0.09 0.00 0.00 178.44 180.94 3k4x h THR 607 N 0.51 1.09 -0.04 0.22 2.02 -1.90 0.29 112.91 115.09 3k4x h THR 607 Ca 0.39 -0.31 -0.14 0.00 0.77 0.00 0.00 66.41 67.12 3k4x h THR 607 Cb 0.78 0.11 0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3k4x h THR 607 CO -0.14 0.16 -0.50 0.28 0.37 0.00 0.00 175.52 175.69 3k4x h SER 608 N 0.90 0.51 0.11 4.18 0.02 -0.98 -3.20 113.55 115.09 3k4x h SER 608 Ca 0.32 -0.71 -0.02 0.00 -0.84 0.00 0.00 61.79 60.54 3k4x h SER 608 Cb 0.12 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 3k4x h SER 608 CO -0.10 1.15 -0.08 0.25 -1.14 0.00 0.00 176.83 176.91 3k4x h LEU 609 N -0.07 0.00 0.38 5.07 5.85 -0.39 -2.78 115.31 123.36 3k4x h LEU 609 Ca -0.05 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 3k4x h LEU 609 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3k4x h LEU 609 CO 0.10 0.08 -0.18 -1.28 -0.34 0.00 0.00 178.44 176.82 3k4x h SER 610 N 0.00 -0.43 -0.96 1.25 0.87 -0.48 -1.82 113.55 111.97 3k4x h SER 610 Ca -0.00 -0.14 0.28 0.00 -1.23 0.00 0.00 61.79 60.70 3k4x h SER 610 Cb 0.15 0.11 -0.14 0.00 -0.44 0.00 0.00 62.40 62.08 3k4x h SER 610 CO 0.01 -0.05 0.47 0.11 -0.53 0.00 0.00 176.83 176.84 3k4x h LYS 611 N -0.87 0.33 0.03 2.24 1.57 -1.49 0.24 116.57 118.62 3k4x h LYS 611 Ca -0.05 -0.02 -0.24 0.00 -1.87 0.00 0.00 60.65 58.47 3k4x h LYS 611 Cb 0.54 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.78 3k4x h LYS 611 CO 0.09 0.22 -1.01 0.82 -0.57 0.00 0.00 179.45 179.00 3k4x h ILE 612 N 0.34 1.40 0.00 1.86 2.04 -1.51 -3.19 117.51 118.46 3k4x h ILE 612 Ca 0.66 -2.52 -0.01 0.00 1.00 0.00 0.00 64.86 63.98 3k4x h ILE 612 Cb 1.40 2.51 -0.00 0.00 -0.74 0.00 0.00 36.82 39.98 3k4x h ILE 612 CO -0.59 0.75 -0.06 -0.07 0.00 0.00 0.00 178.15 178.18 3k4x h LEU 613 N 0.22 0.00 -0.33 1.44 4.07 -0.12 -2.98 115.31 117.60 3k4x h LEU 613 Ca -0.10 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.69 3k4x h LEU 613 Cb 1.66 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.37 3k4x h LEU 613 CO 0.18 0.06 -0.82 0.03 -1.08 0.00 0.00 178.44 176.81 3k4x h ARG 614 N 0.00 0.00 0.76 1.13 3.08 -1.13 -3.35 114.38 114.87 3k4x h ARG 614 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3k4x h ARG 614 Cb 0.70 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.76 3k4x h ARG 614 CO 0.01 0.82 -0.37 0.00 -1.07 0.00 0.00 179.97 179.36 3k4x s GLY 616 N -2.27 2.52 0.43 0.00 0.00 -1.25 -4.98 107.32 101.77 3k4x s GLY 616 Ca -0.17 0.91 -0.24 0.00 0.00 0.00 0.00 44.72 45.23 3k4x s GLY 616 CO 0.52 1.31 1.17 -1.31 0.00 0.00 0.00 173.10 174.79 3k4x s ASN 617 N -1.88 6.34 0.59 1.64 0.01 -1.26 -4.92 114.94 115.45 3k4x s ASN 617 Ca 0.75 2.34 0.33 0.00 -0.71 0.00 0.00 52.86 55.56 3k4x s ASN 617 Cb -0.29 -2.61 1.83 0.00 0.41 0.00 0.00 41.25 40.59 3k4x s ASN 617 CO 0.39 -0.80 2.22 0.78 -1.51 0.00 0.00 177.10 178.18 3k4x h ASN 618 N 2.34 0.00 0.72 -1.22 2.35 -1.93 -2.21 115.58 115.63 3k4x h ASN 618 Ca -0.49 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.16 3k4x h ASN 618 Cb 1.24 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.59 3k4x h ASN 618 CO 0.61 0.04 -1.35 0.35 -1.65 0.00 0.00 177.43 175.42 3k4x n THR 619 N -3.58 0.90 -0.83 2.81 -2.24 -1.26 -1.39 114.28 108.69 3k4x n THR 619 Ca -0.02 -0.63 -0.32 0.00 -2.27 0.00 0.00 64.05 60.80 3k4x n THR 619 Cb 0.13 -0.53 0.15 0.00 -2.10 0.00 0.00 70.33 67.98 3k4x n THR 619 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3k4x n ASP 620 N -2.76 -0.06 -4.66 3.42 8.00 -0.83 -4.57 116.55 115.09 3k4x n ASP 620 Ca -0.07 0.45 -0.41 0.00 0.71 0.00 0.00 54.79 55.47 3k4x n ASP 620 Cb 0.73 -1.42 -0.04 0.00 -0.02 0.00 0.00 41.12 40.37 3k4x n ASP 620 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3k4x s THR 621 N -2.43 4.88 -0.30 -3.53 2.01 -0.38 -1.81 115.64 114.08 3k4x s THR 621 Ca 0.66 1.60 -0.11 0.00 0.31 0.00 0.00 61.69 64.15 3k4x s THR 621 Cb -0.25 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.11 3k4x s THR 621 CO 0.58 0.01 0.20 -0.22 -0.69 0.00 0.00 174.62 174.50 3k4x s LEU 622 N 2.27 4.16 -0.17 4.42 2.96 -1.25 -1.25 118.68 129.82 3k4x s LEU 622 Ca 0.37 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 3k4x s LEU 622 Cb -0.16 -2.10 0.01 0.00 0.50 0.00 0.00 46.19 44.43 3k4x s LEU 622 CO 0.11 -0.12 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.96 3k4x s THR 623 N 1.73 2.36 -0.20 3.68 2.01 0.24 0.12 115.64 125.58 3k4x s THR 623 Ca 0.06 -0.85 -0.18 0.00 0.31 0.00 0.00 61.69 61.04 3k4x s THR 623 Cb -0.16 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 3k4x s THR 623 CO 0.10 0.52 0.48 -0.76 -0.69 0.00 0.00 174.62 174.27 3k4x s LEU 624 N 1.12 4.16 -0.04 4.42 1.43 0.49 -0.56 118.68 129.70 3k4x s LEU 624 Ca 0.01 0.64 0.06 0.00 -1.03 0.00 0.00 54.13 53.80 3k4x s LEU 624 Cb -0.14 -2.65 -0.01 0.00 0.03 0.00 0.00 46.19 43.42 3k4x s LEU 624 CO -0.07 -0.14 -0.21 -0.63 0.23 0.00 0.00 176.35 175.53 3k4x s ILE 625 N 1.49 1.71 -0.15 -0.59 1.01 -0.22 -1.22 121.20 123.23 3k4x s ILE 625 Ca 0.23 -0.89 -0.11 0.00 0.00 0.00 0.00 60.65 59.87 3k4x s ILE 625 Cb -0.15 -1.44 0.05 0.00 0.01 0.00 0.00 42.46 40.93 3k4x s ILE 625 CO 0.09 0.48 0.38 0.00 0.00 0.00 0.00 174.94 175.90 3k4x s ALA 626 N -0.24 -0.95 0.84 9.38 0.00 -0.80 -1.22 121.76 128.77 3k4x s ALA 626 Ca 0.01 1.27 -0.12 0.00 0.00 0.00 0.00 51.96 53.12 3k4x s ALA 626 Cb -0.11 -0.76 0.10 0.00 0.00 0.00 0.00 23.12 22.35 3k4x s ALA 626 CO 0.01 -0.22 1.13 -0.51 0.00 0.00 0.00 175.76 176.18 3k4x s ASP 627 N 0.82 4.13 0.25 0.00 -0.00 -1.26 -2.60 116.67 118.02 3k4x s ASP 627 Ca -0.05 1.03 -0.03 0.00 -0.00 0.00 0.00 52.55 53.50 3k4x s ASP 627 Cb -0.06 -1.65 0.43 0.00 -0.00 0.00 0.00 42.92 41.64 3k4x s ASP 627 CO -0.06 -2.17 1.81 -1.13 -0.00 0.00 0.00 175.17 173.62 3k4x h ASN 628 N -1.23 0.69 -3.80 0.27 -1.24 -1.99 -3.26 115.58 105.01 3k4x h ASN 628 Ca -0.48 0.05 -0.73 0.00 0.71 0.00 0.00 56.30 55.85 3k4x h ASN 628 Cb 1.31 -0.08 -0.31 0.00 0.73 0.00 0.00 38.32 39.97 3k4x h ASN 628 CO 0.62 0.38 -0.24 0.42 -1.29 0.00 0.00 177.43 177.33 3k4x s THR 629 N -6.02 4.41 -0.11 -3.57 -4.23 -1.26 -4.97 115.64 99.89 3k4x s THR 629 Ca -0.12 -2.48 -0.30 0.00 -1.18 0.00 0.00 61.69 57.61 3k4x s THR 629 Cb 0.20 -3.83 -0.02 0.00 1.34 0.00 0.00 72.50 70.19 3k4x s THR 629 CO 0.78 -0.89 1.17 -2.84 -0.54 0.00 0.00 174.62 172.30 3k4x s PRO 630 N 0.41 4.32 -0.02 3.99 0.02 -1.23 -4.85 135.00 137.64 3k4x s PRO 630 Ca 0.14 1.59 0.03 0.00 0.02 0.00 0.00 61.00 62.79 3k4x s PRO 630 Cb -0.19 -3.62 -0.05 0.00 0.02 0.00 0.00 34.50 30.66 3k4x s PRO 630 CO -0.04 -0.51 0.05 -3.47 -0.33 0.00 0.00 177.00 172.69 3k4x n ASP 631 N 5.65 4.20 -3.77 2.53 2.03 -1.26 -5.04 116.55 120.89 3k4x n ASP 631 Ca 0.11 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.32 3k4x n ASP 631 Cb 0.46 0.92 -0.07 0.00 -0.72 0.00 0.00 41.12 41.72 3k4x n ASP 631 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3k4x s SER 632 N -2.81 -0.05 -0.01 1.67 0.01 -1.26 -3.11 113.70 108.13 3k4x s SER 632 Ca -0.01 -0.39 0.01 0.00 1.31 0.00 0.00 55.95 56.87 3k4x s SER 632 Cb 0.02 0.37 -0.03 0.00 0.21 0.00 0.00 66.02 66.58 3k4x s SER 632 CO 0.14 -0.70 -0.02 -0.51 0.41 0.00 0.00 173.24 172.56 3k4x s ILE 633 N -3.28 4.04 -0.24 1.44 2.07 -0.51 -4.74 121.20 119.98 3k4x s ILE 633 Ca 0.00 -0.60 -0.06 0.00 -1.41 0.00 0.00 60.65 58.58 3k4x s ILE 633 Cb 0.02 -2.78 -0.02 0.00 0.13 0.00 0.00 42.46 39.81 3k4x s ILE 633 CO -0.08 0.41 0.04 -0.63 -1.91 0.00 0.00 174.94 172.77 3k4x s ILE 634 N -1.03 4.08 -0.35 2.00 1.01 -0.36 -1.53 121.20 125.02 3k4x s ILE 634 Ca 0.18 -0.25 -0.12 0.00 0.00 0.00 0.00 60.65 60.46 3k4x s ILE 634 Cb -0.11 -2.89 -0.00 0.00 0.01 0.00 0.00 42.46 39.46 3k4x s ILE 634 CO 0.08 0.37 0.21 -0.76 0.00 0.00 0.00 174.94 174.84 3k4x s LEU 635 N 1.50 4.50 -0.33 2.97 1.43 -0.47 -1.05 118.68 127.23 3k4x s LEU 635 Ca 0.06 -0.63 -0.07 0.00 -1.03 0.00 0.00 54.13 52.45 3k4x s LEU 635 Cb -0.15 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.03 3k4x s LEU 635 CO 0.02 -0.28 0.11 -0.22 0.23 0.00 0.00 176.35 176.21 3k4x s LEU 636 N 1.65 4.20 -0.25 1.79 2.96 0.27 -0.74 118.68 128.57 3k4x s LEU 636 Ca 0.05 -0.95 -0.14 0.00 -0.22 0.00 0.00 54.13 52.87 3k4x s LEU 636 Cb -0.18 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 3k4x s LEU 636 CO 0.08 -0.28 0.31 -0.36 -1.32 0.00 0.00 176.35 174.78 3k4x s PHE 637 N 1.46 3.29 0.17 5.38 0.40 -0.40 -0.59 117.98 127.70 3k4x s PHE 637 Ca 0.01 0.39 0.09 0.00 -0.60 0.00 0.00 56.93 56.81 3k4x s PHE 637 Cb -0.19 -2.47 -0.04 0.00 0.51 0.00 0.00 43.02 40.83 3k4x s PHE 637 CO 0.03 -0.10 -0.18 -1.21 0.70 0.00 0.00 175.22 174.46 3k4x s GLU 638 N 1.61 1.30 0.33 0.44 2.02 -0.38 -1.28 118.70 122.74 3k4x s GLU 638 Ca 0.13 -1.43 0.07 0.00 0.02 0.00 0.00 54.97 53.76 3k4x s GLU 638 Cb -0.15 -1.35 -0.01 0.00 0.10 0.00 0.00 34.13 32.72 3k4x s GLU 638 CO 0.08 0.27 0.47 -0.51 0.02 0.00 0.00 175.26 175.59 3k4x s ASP 639 N -2.73 5.97 -0.01 -0.19 1.11 -1.23 -1.25 116.67 118.35 3k4x s ASP 639 Ca 0.17 -0.19 -0.12 0.00 0.18 0.00 0.00 52.55 52.59 3k4x s ASP 639 Cb -0.05 -1.23 -0.07 0.00 1.07 0.00 0.00 42.92 42.63 3k4x s ASP 639 CO 0.07 -0.43 0.72 0.71 1.18 0.00 0.00 175.17 177.42 3k4x h THR 640 N 0.90 0.00 -0.18 -1.27 1.35 -1.94 -3.39 112.91 108.39 3k4x h THR 640 Ca -0.46 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 3k4x h THR 640 Cb 1.26 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 3k4x h THR 640 CO 0.53 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.09 3k4x n LYS 641 N -3.94 2.37 -4.19 4.72 5.02 -1.26 -5.01 118.16 115.87 3k4x n LYS 641 Ca -0.05 -1.67 -0.35 0.00 -2.02 0.00 0.00 58.31 54.22 3k4x n LYS 641 Cb 0.17 -1.16 -0.08 0.00 -0.02 0.00 0.00 35.03 33.94 3k4x n LYS 641 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3k4x s LYS 642 N -0.92 3.11 0.15 1.97 1.02 -1.26 -4.98 119.74 118.84 3k4x s LYS 642 Ca 0.13 -0.36 0.18 0.00 0.02 0.00 0.00 55.97 55.95 3k4x s LYS 642 Cb 0.07 -2.91 0.80 0.00 -0.52 0.00 0.00 37.83 35.28 3k4x s LYS 642 CO 0.10 0.71 1.57 -0.25 -0.92 0.00 0.00 175.35 176.55 3k4x n ASP 643 N 1.89 0.38 -4.68 2.83 9.92 -1.26 -4.37 116.55 121.26 3k4x n ASP 643 Ca -0.18 0.60 -0.43 0.00 -0.53 0.00 0.00 54.79 54.26 3k4x n ASP 643 Cb 0.54 -0.68 -0.03 0.00 -0.64 0.00 0.00 41.12 40.31 3k4x n ASP 643 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3k4x n ARG 644 N -1.93 2.75 -3.82 -1.24 0.00 -1.26 -4.73 116.66 106.44 3k4x n ARG 644 Ca 0.02 1.01 -0.27 0.00 -0.00 0.00 0.00 57.85 58.60 3k4x n ARG 644 Cb 0.17 -2.92 -0.17 0.00 0.00 0.00 0.00 32.46 29.55 3k4x n ARG 644 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3k4x s ILE 645 N 3.61 0.80 -0.51 5.15 1.01 -1.12 -3.47 121.20 126.68 3k4x s ILE 645 Ca 0.86 -0.51 -0.14 0.00 0.00 0.00 0.00 60.65 60.86 3k4x s ILE 645 Cb -0.49 -1.10 0.11 0.00 0.01 0.00 0.00 42.46 41.00 3k4x s ILE 645 CO 0.41 0.02 0.44 0.00 0.00 0.00 0.00 174.94 175.81 3k4x s ALA 646 N 1.76 3.57 -0.21 9.38 0.00 -0.40 -1.68 121.76 134.18 3k4x s ALA 646 Ca 0.01 -2.42 -0.12 0.00 0.00 0.00 0.00 51.96 49.43 3k4x s ALA 646 Cb -0.16 -3.12 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 3k4x s ALA 646 CO -0.07 -1.91 0.22 -2.00 0.00 0.00 0.00 175.76 171.99 3k4x s GLU 647 N 1.56 4.16 0.29 0.00 2.12 -0.14 -1.27 118.70 125.42 3k4x s GLU 647 Ca 0.04 -0.10 0.11 0.00 0.36 0.00 0.00 54.97 55.37 3k4x s GLU 647 Cb -0.28 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.58 3k4x s GLU 647 CO 0.03 0.14 -0.12 0.71 -0.54 0.00 0.00 175.26 175.49 3k4x s TYR 648 N 0.80 2.43 -0.11 5.30 1.51 0.08 -0.56 117.35 126.80 3k4x s TYR 648 Ca 0.11 -0.33 -0.04 0.00 -1.01 0.00 0.00 57.07 55.81 3k4x s TYR 648 Cb -0.13 -1.13 0.05 0.00 -0.11 0.00 0.00 41.96 40.64 3k4x s TYR 648 CO 0.03 0.66 0.13 0.45 -1.11 0.00 0.00 175.55 175.71 3k4x s SER 649 N -3.58 1.29 -0.14 2.29 0.15 -0.57 -1.37 113.70 111.76 3k4x s SER 649 Ca 0.31 -0.02 -0.06 0.00 0.70 0.00 0.00 55.95 56.89 3k4x s SER 649 Cb -0.04 0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.32 3k4x s SER 649 CO 0.17 -0.28 0.05 -0.22 1.20 0.00 0.00 173.24 174.16 3k4x s LEU 650 N 2.24 3.82 -0.23 3.45 2.96 -0.58 -2.29 118.68 128.05 3k4x s LEU 650 Ca 0.04 0.16 -0.29 0.00 -0.22 0.00 0.00 54.13 53.82 3k4x s LEU 650 Cb -0.13 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.63 3k4x s LEU 650 CO -0.07 0.28 1.02 -0.75 -1.32 0.00 0.00 176.35 175.51 3k4x s LYS 651 N -0.25 4.26 0.77 1.98 2.47 -0.29 -1.43 119.74 127.26 3k4x s LYS 651 Ca 0.08 1.32 -0.11 0.00 -1.56 0.00 0.00 55.97 55.70 3k4x s LYS 651 Cb -0.12 -3.64 0.06 0.00 -1.46 0.00 0.00 37.83 32.67 3k4x s LYS 651 CO 0.02 -0.61 1.08 -0.51 0.16 0.00 0.00 175.35 175.49 3k4x s LEU 652 N 3.13 2.83 -0.01 5.43 1.43 -1.18 -4.81 118.68 125.49 3k4x s LEU 652 Ca 0.43 1.58 -0.11 0.00 -1.03 0.00 0.00 54.13 55.01 3k4x s LEU 652 Cb -0.15 -4.27 0.01 0.00 0.03 0.00 0.00 46.19 41.81 3k4x s LEU 652 CO 0.06 -1.93 0.22 0.00 0.23 0.00 0.00 176.35 174.93 3k4x s MET 653 N -5.01 0.54 -0.33 1.70 0.23 -0.38 -4.95 119.30 111.10 3k4x s MET 653 Ca 0.60 -0.24 -0.29 0.00 -1.03 0.00 0.00 55.69 54.74 3k4x s MET 653 Cb -0.16 0.24 -0.01 0.00 -1.53 0.00 0.00 34.83 33.37 3k4x s MET 653 CO 0.55 -0.14 1.51 -0.51 -2.03 0.00 0.00 175.02 174.41 3k4x s ASP 654 N -1.21 6.33 -0.22 -1.18 1.11 -1.26 -4.15 116.67 116.09 3k4x s ASP 654 Ca -0.13 1.17 -0.03 0.00 0.18 0.00 0.00 52.55 53.74 3k4x s ASP 654 Cb -0.06 -2.54 -0.00 0.00 1.07 0.00 0.00 42.92 41.39 3k4x s ASP 654 CO 0.03 -1.38 -0.07 -0.63 1.18 0.00 0.00 175.17 174.30 3k4x s ILE 655 N 5.44 3.15 0.06 0.77 -1.09 -1.26 -5.08 121.20 123.18 3k4x s ILE 655 Ca 0.66 -0.59 -0.31 0.00 -2.23 0.00 0.00 60.65 58.18 3k4x s ILE 655 Cb -0.18 -2.43 -0.08 0.00 -1.58 0.00 0.00 42.46 38.19 3k4x s ILE 655 CO 0.30 0.43 1.66 -1.81 -1.23 0.00 0.00 174.94 174.29 3k4x s ASP 656 N 1.44 6.61 1.00 3.58 1.01 -1.26 -4.89 116.67 124.16 3k4x s ASP 656 Ca 0.05 2.47 -0.11 0.00 0.71 0.00 0.00 52.55 55.67 3k4x s ASP 656 Cb -0.14 -2.56 0.19 0.00 1.01 0.00 0.00 42.92 41.42 3k4x s ASP 656 CO -0.05 -0.89 1.10 0.00 0.21 0.00 0.00 175.17 175.54 3k4x s ALA 657 N 2.78 0.80 0.20 5.23 0.00 -1.26 -5.02 121.76 124.49 3k4x s ALA 657 Ca 0.74 0.30 0.03 0.00 0.00 0.00 0.00 51.96 53.03 3k4x s ALA 657 Cb -0.39 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 3k4x s ALA 657 CO 0.32 -3.10 0.34 -0.51 0.00 0.00 0.00 175.76 172.81 3k4x s ASP 658 N -2.68 6.33 -0.22 0.00 1.11 -1.26 -5.06 116.67 114.89 3k4x s ASP 658 Ca 0.67 0.15 -0.29 0.00 0.18 0.00 0.00 52.55 53.26 3k4x s ASP 658 Cb -0.23 -1.90 0.01 0.00 1.07 0.00 0.00 42.92 41.87 3k4x s ASP 658 CO 0.60 -0.02 1.02 0.12 1.18 0.00 0.00 175.17 178.07 3k4x s PHE 659 N -1.88 3.35 -0.17 4.23 2.19 -1.26 -5.01 117.98 119.44 3k4x s PHE 659 Ca 0.35 1.46 -0.18 0.00 0.33 0.00 0.00 56.93 58.89 3k4x s PHE 659 Cb -0.10 -3.25 -0.04 0.00 -1.31 0.00 0.00 43.02 38.32 3k4x s PHE 659 CO 0.29 -0.45 0.48 -0.51 1.83 0.00 0.00 175.22 176.86 3k4x s LEU 660 N 3.07 4.20 -0.31 6.12 2.01 -1.26 -5.05 118.68 127.46 3k4x s LEU 660 Ca 0.44 0.71 -0.10 0.00 0.01 0.00 0.00 54.13 55.18 3k4x s LEU 660 Cb -0.15 -2.67 -0.01 0.00 0.01 0.00 0.00 46.19 43.36 3k4x s LEU 660 CO 0.07 -0.09 0.17 -0.54 1.01 0.00 0.00 176.35 176.97 3k4x s LYS 661 N 1.18 3.39 -0.61 1.70 1.02 -1.26 -5.05 119.74 120.11 3k4x s LYS 661 Ca 0.24 -0.69 -0.23 0.00 0.02 0.00 0.00 55.97 55.31 3k4x s LYS 661 Cb -0.15 -3.61 0.06 0.00 -0.52 0.00 0.00 37.83 33.60 3k4x s LYS 661 CO 0.10 -0.41 0.95 0.42 -0.92 0.00 0.00 175.35 175.49 3k4x s ILE 662 N 1.64 4.35 -0.22 2.17 1.01 -1.26 -5.01 121.20 123.88 3k4x s ILE 662 Ca 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 60.65 60.61 3k4x s ILE 662 Cb -0.17 -4.61 -0.00 0.00 0.01 0.00 0.00 42.46 37.68 3k4x s ILE 662 CO 0.07 -1.30 -0.06 -1.61 0.00 0.00 0.00 174.94 172.05 3k4x s GLU 663 N 4.02 3.30 -0.42 2.79 2.02 -1.26 -5.06 118.70 124.09 3k4x s GLU 663 Ca 0.26 -0.67 -0.03 0.00 0.02 0.00 0.00 54.97 54.55 3k4x s GLU 663 Cb -0.15 -2.97 0.11 0.00 0.10 0.00 0.00 34.13 31.23 3k4x s GLU 663 CO 0.14 -0.21 0.22 -1.21 0.02 0.00 0.00 175.26 174.22 3k4x s GLU 664 N 1.45 2.04 0.34 1.61 8.01 -1.26 -5.08 118.70 125.81 3k4x s GLU 664 Ca 0.05 -1.86 0.03 0.00 0.01 0.00 0.00 54.97 53.20 3k4x s GLU 664 Cb -0.14 -3.60 -0.04 0.00 -4.31 0.00 0.00 34.13 26.03 3k4x s GLU 664 CO -0.04 -1.08 0.10 -0.48 0.01 0.00 0.00 175.26 173.77 3k4x s LEU 665 N 1.07 1.97 -0.27 1.80 0.05 -1.26 -5.13 118.68 116.91 3k4x s LEU 665 Ca 0.09 -1.51 -0.07 0.00 0.05 0.00 0.00 54.13 52.68 3k4x s LEU 665 Cb -0.23 -0.15 -0.01 0.00 -2.05 0.00 0.00 46.19 43.75 3k4x s LEU 665 CO -0.04 -0.78 0.08 -1.58 -0.55 0.00 0.00 176.35 173.48 3k4x s GLN 666 N -3.84 3.44 0.82 1.48 0.74 -1.26 -5.10 119.66 115.95 3k4x s GLN 666 Ca 0.32 -0.63 -0.11 0.00 0.05 0.00 0.00 55.36 54.99 3k4x s GLN 666 Cb 0.06 -3.36 0.09 0.00 1.10 0.00 0.00 33.01 30.90 3k4x s GLN 666 CO 0.15 -0.29 1.09 0.71 -0.55 0.00 0.00 175.29 176.40 3k4x s TYR 667 N 1.58 2.47 -0.03 1.67 1.51 -1.26 -4.98 117.35 118.31 3k4x s TYR 667 Ca 0.05 1.43 0.03 0.00 -1.01 0.00 0.00 57.07 57.57 3k4x s TYR 667 Cb -0.16 -3.10 -0.25 0.00 -0.11 0.00 0.00 41.96 38.35 3k4x s TYR 667 CO 0.03 -2.05 0.72 -0.44 -1.11 0.00 0.00 175.55 172.71 3k4x h ASP 668 N -1.31 0.20 -5.00 2.29 3.32 -1.01 -3.45 116.42 111.47 3k4x h ASP 668 Ca -0.46 -0.36 -0.09 0.00 0.02 0.00 0.00 57.03 56.14 3k4x h ASP 668 Cb 1.25 -0.07 -0.19 0.00 0.22 0.00 0.00 39.33 40.55 3k4x h ASP 668 CO 0.53 1.31 -0.09 -0.55 -1.72 0.00 0.00 179.24 178.72 3k4x s SER 669 N -6.61 -0.37 -0.03 6.45 0.15 -0.87 -0.52 113.70 111.90 3k4x s SER 669 Ca -0.09 0.28 -0.01 0.00 0.70 0.00 0.00 55.95 56.83 3k4x s SER 669 Cb 0.08 0.41 0.03 0.00 -1.71 0.00 0.00 66.02 64.82 3k4x s SER 669 CO 0.82 -0.54 0.04 -0.89 1.20 0.00 0.00 173.24 173.87 3k4x s THR 670 N -1.49 -0.06 0.03 6.45 2.01 0.51 -0.44 115.64 122.65 3k4x s THR 670 Ca -0.11 0.32 0.02 0.00 0.31 0.00 0.00 61.69 62.23 3k4x s THR 670 Cb -0.03 -0.15 -0.02 0.00 0.01 0.00 0.00 72.50 72.32 3k4x s THR 670 CO 0.05 0.15 -0.08 -1.48 -0.69 0.00 0.00 174.62 172.57 3k4x s LEU 671 N 1.68 2.18 -0.04 4.42 2.34 -0.39 -0.81 118.68 128.06 3k4x s LEU 671 Ca -0.01 -0.41 0.03 0.00 0.06 0.00 0.00 54.13 53.80 3k4x s LEU 671 Cb -0.12 -0.24 0.01 0.00 -0.56 0.00 0.00 46.19 45.27 3k4x s LEU 671 CO -0.03 -0.10 -0.12 -0.94 -1.06 0.00 0.00 176.35 174.10 3k4x s SER 672 N -1.11 1.63 0.16 1.48 1.04 -0.42 -0.50 113.70 115.98 3k4x s SER 672 Ca -0.05 -0.26 -0.07 0.00 0.48 0.00 0.00 55.95 56.04 3k4x s SER 672 Cb -0.07 -0.56 -0.02 0.00 0.10 0.00 0.00 66.02 65.47 3k4x s SER 672 CO 0.00 0.07 0.23 -1.48 0.98 0.00 0.00 173.24 173.05 3k4x s LEU 673 N 0.34 1.13 0.08 2.42 2.34 -1.13 -1.59 118.68 122.28 3k4x s LEU 673 Ca -0.07 -0.96 -0.35 0.00 0.06 0.00 0.00 54.13 52.80 3k4x s LEU 673 Cb -0.12 0.98 -0.14 0.00 -0.56 0.00 0.00 46.19 46.35 3k4x s LEU 673 CO 0.02 -0.86 1.60 -2.65 -1.06 0.00 0.00 176.35 173.40 3k4x n PRO 674 N -0.19 1.92 0.30 1.48 -0.02 -1.26 -0.87 135.00 136.36 3k4x n PRO 674 Ca -0.07 0.70 0.19 0.00 -2.02 0.00 0.00 63.50 62.30 3k4x n PRO 674 Cb 0.63 -2.45 0.90 0.00 -0.02 0.00 0.00 33.50 32.56 3k4x n PRO 674 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3k4x h SER 675 N 6.35 0.00 0.19 2.55 4.64 0.21 -0.39 113.55 127.09 3k4x h SER 675 Ca -0.46 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.67 3k4x h SER 675 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3k4x h SER 675 CO 0.88 0.02 -0.74 0.77 -0.87 0.00 0.00 176.83 176.88 3k4x h SER 676 N 0.00 0.56 0.00 4.97 4.64 -1.88 -1.78 113.55 120.07 3k4x h SER 676 Ca -0.00 -0.37 -0.02 0.00 -0.47 0.00 0.00 61.79 60.93 3k4x h SER 676 Cb 0.30 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3k4x h SER 676 CO 0.00 1.12 -0.08 -0.08 -0.87 0.00 0.00 176.83 176.93 3k4x h GLU 677 N 0.32 0.05 -0.48 4.77 4.81 -1.67 -2.81 114.58 119.56 3k4x h GLU 677 Ca -0.04 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.24 3k4x h GLU 677 Cb 1.33 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.70 3k4x h GLU 677 CO 0.13 0.86 0.33 0.35 -0.73 0.00 0.00 179.01 179.96 3k4x h PHE 678 N -0.75 0.24 0.07 0.92 3.57 -1.18 -0.77 116.94 119.04 3k4x h PHE 678 Ca -0.01 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3k4x h PHE 678 Cb 0.89 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.56 3k4x h PHE 678 CO 0.21 0.12 -0.03 1.03 -2.23 0.00 0.00 178.31 177.40 3k4x h SER 679 N 0.23 -0.08 -0.46 0.41 0.87 -1.35 -2.64 113.55 110.53 3k4x h SER 679 Ca 0.22 -0.43 0.05 0.00 -1.23 0.00 0.00 61.79 60.41 3k4x h SER 679 Cb 0.58 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.52 3k4x h SER 679 CO -0.04 0.41 0.18 0.50 -0.53 0.00 0.00 176.83 177.34 3k4x h LYS 680 N -0.59 0.35 -0.69 2.24 3.64 -1.15 -1.09 116.57 119.29 3k4x h LYS 680 Ca -0.01 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.45 3k4x h LYS 680 Cb 0.50 -0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.17 3k4x h LYS 680 CO 0.02 0.23 0.32 0.82 -2.27 0.00 0.00 179.45 178.57 3k4x h ILE 681 N 0.36 0.80 0.10 2.00 2.04 -1.19 -0.28 117.51 121.34 3k4x h ILE 681 Ca 0.21 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 3k4x h ILE 681 Cb 0.19 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3k4x h ILE 681 CO -0.20 0.10 -0.05 0.58 0.00 0.00 0.00 178.15 178.58 3k4x h VAL 682 N 0.53 1.12 -0.59 1.67 2.07 -1.04 -2.72 116.25 117.29 3k4x h VAL 682 Ca 0.35 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 67.01 3k4x h VAL 682 Cb 0.41 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 3k4x h VAL 682 CO -0.30 0.22 0.39 0.03 0.02 0.00 0.00 177.57 177.93 3k4x h ARG 683 N -0.56 0.62 -0.31 1.57 3.08 -0.95 0.09 114.38 117.92 3k4x h ARG 683 Ca -0.01 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 3k4x h ARG 683 Cb 0.46 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3k4x h ARG 683 CO 0.02 0.41 -0.10 -0.44 -1.07 0.00 0.00 179.97 178.79 3k4x h ASP 684 N 0.64 0.63 1.23 7.04 3.32 -1.04 -3.21 116.42 125.03 3k4x h ASP 684 Ca 0.24 -0.38 -0.13 0.00 0.02 0.00 0.00 57.03 56.79 3k4x h ASP 684 Cb 0.16 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3k4x h ASP 684 CO -0.07 0.87 -0.61 -0.07 -1.72 0.00 0.00 179.24 177.64 3k4x h LEU 685 N 0.39 0.00 -2.63 1.55 3.38 -1.11 -3.16 115.31 113.73 3k4x h LEU 685 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3k4x h LEU 685 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3k4x h LEU 685 CO 0.04 0.61 -0.01 0.28 0.09 0.00 0.00 178.44 179.44 3k4x h SER 686 N 0.00 0.00 0.97 -0.43 0.02 -0.99 -0.40 113.55 112.72 3k4x h SER 686 Ca -0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3k4x h SER 686 Cb 1.39 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.93 3k4x h SER 686 CO 0.08 0.01 -0.07 1.56 -1.14 0.00 0.00 176.83 177.27 3k4x h GLN 687 N 0.00 0.00 0.02 3.45 4.20 -1.61 -3.33 115.11 117.83 3k4x h GLN 687 Ca -0.00 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.31 3k4x h GLN 687 Cb 0.07 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.79 3k4x h GLN 687 CO 0.00 0.07 -2.33 1.28 -0.67 0.00 0.00 178.83 177.18 3k4x n LEU 688 N -3.20 2.47 -4.12 1.46 4.77 -0.17 -5.04 117.00 113.16 3k4x n LEU 688 Ca 0.00 0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 56.03 3k4x n LEU 688 Cb 0.34 -0.91 -0.10 0.00 -2.33 0.00 0.00 43.42 40.42 3k4x n LEU 688 CO 0.29 0.74 -0.32 -0.55 -1.33 0.00 0.00 177.39 176.22 3k4x s SER 689 N -6.97 0.38 0.00 -1.43 0.15 -1.12 -3.85 113.70 100.86 3k4x s SER 689 Ca -0.34 -1.11 0.29 0.00 0.70 0.00 0.00 55.95 55.49 3k4x s SER 689 Cb 0.11 0.26 1.36 0.00 -1.71 0.00 0.00 66.02 66.03 3k4x s SER 689 CO 0.58 -0.68 1.92 0.47 1.20 0.00 0.00 173.24 176.74 3k4x n ASP 690 N -0.01 0.76 -4.00 5.45 8.00 -1.26 -4.53 116.55 120.96 3k4x n ASP 690 Ca -0.09 -1.11 -0.23 0.00 0.71 0.00 0.00 54.79 54.07 3k4x n ASP 690 Cb 0.63 -0.01 -0.16 0.00 -0.02 0.00 0.00 41.12 41.55 3k4x n ASP 690 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3k4x s SER 691 N -2.12 1.53 -0.16 -2.24 0.01 -1.26 -1.02 113.70 108.43 3k4x s SER 691 Ca 0.39 -0.25 0.01 0.00 1.31 0.00 0.00 55.95 57.41 3k4x s SER 691 Cb 0.21 -0.62 0.01 0.00 0.21 0.00 0.00 66.02 65.83 3k4x s SER 691 CO 0.38 0.04 -0.19 -0.63 0.41 0.00 0.00 173.24 173.25 3k4x s ILE 692 N 0.54 2.22 -0.26 1.44 1.01 -0.08 -4.31 121.20 121.76 3k4x s ILE 692 Ca -0.11 -0.91 -0.14 0.00 0.00 0.00 0.00 60.65 59.50 3k4x s ILE 692 Cb -0.14 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 3k4x s ILE 692 CO 0.02 0.53 0.31 0.21 0.00 0.00 0.00 174.94 176.01 3k4x s ASN 693 N 1.02 6.20 -0.22 3.58 2.47 0.05 -0.76 114.94 127.29 3k4x s ASN 693 Ca -0.02 0.23 -0.13 0.00 0.42 0.00 0.00 52.86 53.36 3k4x s ASN 693 Cb -0.15 -2.18 -0.05 0.00 -1.45 0.00 0.00 41.25 37.43 3k4x s ASN 693 CO -0.06 -0.11 0.25 -0.63 -3.72 0.00 0.00 177.10 172.83 3k4x s ILE 694 N 1.78 5.30 -0.25 -5.21 1.01 0.10 -0.95 121.20 122.99 3k4x s ILE 694 Ca 0.13 0.39 -0.02 0.00 0.00 0.00 0.00 60.65 61.15 3k4x s ILE 694 Cb -0.15 -3.59 0.08 0.00 0.01 0.00 0.00 42.46 38.81 3k4x s ILE 694 CO 0.09 0.32 0.06 -0.32 0.00 0.00 0.00 174.94 175.10 3k4x s MET 695 N 1.04 0.69 -0.19 2.79 1.75 -0.31 -1.08 119.30 123.98 3k4x s MET 695 Ca 0.12 -0.71 -0.15 0.00 -1.25 0.00 0.00 55.69 53.70 3k4x s MET 695 Cb -0.14 -2.01 -0.04 0.00 2.84 0.00 0.00 34.83 35.48 3k4x s MET 695 CO 0.05 -0.80 0.37 0.42 -0.65 0.00 0.00 175.02 174.41 3k4x s ILE 696 N 1.76 5.22 0.35 10.11 1.09 -0.02 -1.91 121.20 137.81 3k4x s ILE 696 Ca 0.04 0.67 0.04 0.00 -1.10 0.00 0.00 60.65 60.30 3k4x s ILE 696 Cb -0.17 -3.71 -0.06 0.00 -1.06 0.00 0.00 42.46 37.46 3k4x s ILE 696 CO -0.17 0.28 0.06 0.42 -0.10 0.00 0.00 174.94 175.43 3k4x s THR 697 N 1.12 1.18 0.04 2.92 -4.23 -0.45 -1.64 115.64 114.58 3k4x s THR 697 Ca 0.18 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.39 3k4x s THR 697 Cb -0.14 -2.73 -0.09 0.00 1.34 0.00 0.00 72.50 70.88 3k4x s THR 697 CO 0.07 0.00 1.96 -0.75 -0.54 0.00 0.00 174.62 175.36 3k4x s LYS 698 N -3.85 4.14 -1.39 3.99 2.20 -1.26 -1.86 119.74 121.71 3k4x s LYS 698 Ca 0.33 2.61 0.00 0.00 -0.36 0.00 0.00 55.97 58.55 3k4x s LYS 698 Cb 0.08 -4.12 0.00 0.00 -1.51 0.00 0.00 37.83 32.27 3k4x s LYS 698 CO 0.15 -0.95 0.00 0.39 -0.36 0.00 0.00 175.35 174.58 3k4x n GLU 699 N 7.42 -1.14 -3.65 4.03 1.02 -1.26 -4.98 120.64 122.08 3k4x n GLU 699 Ca 0.20 0.83 -0.06 0.00 -0.02 0.00 0.00 57.16 58.10 3k4x n GLU 699 Cb 0.41 -5.09 -0.07 0.00 -0.02 0.00 0.00 31.44 26.66 3k4x n GLU 699 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3k4x s THR 700 N -2.68 -0.29 -0.17 2.62 2.01 -0.78 -4.50 115.64 111.86 3k4x s THR 700 Ca 0.00 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.04 3k4x s THR 700 Cb 0.00 -0.90 0.01 0.00 0.01 0.00 0.00 72.50 71.62 3k4x s THR 700 CO 0.00 0.01 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.13 3k4x s ILE 701 N 1.96 2.31 -0.20 1.82 1.01 -0.41 -1.34 121.20 126.36 3k4x s ILE 701 Ca -0.08 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.71 3k4x s ILE 701 Cb -0.08 -1.97 0.04 0.00 0.01 0.00 0.00 42.46 40.46 3k4x s ILE 701 CO -0.18 0.53 -0.14 -0.75 0.00 0.00 0.00 174.94 174.40 3k4x s LYS 702 N 1.10 2.38 -0.23 2.79 2.20 -0.80 -1.11 119.74 126.05 3k4x s LYS 702 Ca 0.00 -0.90 -0.10 0.00 -0.36 0.00 0.00 55.97 54.62 3k4x s LYS 702 Cb -0.14 -2.51 -0.05 0.00 -1.51 0.00 0.00 37.83 33.62 3k4x s LYS 702 CO -0.07 -0.37 0.14 -0.06 -0.36 0.00 0.00 175.35 174.63 3k4x s PHE 703 N 1.32 3.27 -0.10 4.03 0.40 0.37 -1.16 117.98 126.11 3k4x s PHE 703 Ca -0.00 0.12 -0.01 0.00 -0.60 0.00 0.00 56.93 56.44 3k4x s PHE 703 Cb -0.16 -2.24 0.03 0.00 0.51 0.00 0.00 43.02 41.16 3k4x s PHE 703 CO -0.09 0.02 -0.05 0.08 0.70 0.00 0.00 175.22 175.87 3k4x s VAL 704 N 1.06 0.81 -0.19 -0.44 1.01 -0.12 -0.23 120.40 122.29 3k4x s VAL 704 Ca 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 3k4x s VAL 704 Cb -0.14 -0.87 -0.00 0.00 0.00 0.00 0.00 36.38 35.37 3k4x s VAL 704 CO 0.04 0.33 -0.09 0.00 0.00 0.00 0.00 175.10 175.38 3k4x s ALA 705 N 1.71 2.68 -0.31 5.51 0.00 -0.59 -0.77 121.76 129.99 3k4x s ALA 705 Ca 0.03 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.90 3k4x s ALA 705 Cb -0.13 -1.49 0.08 0.00 0.00 0.00 0.00 23.12 21.58 3k4x s ALA 705 CO -0.06 -0.26 -0.00 0.34 0.00 0.00 0.00 175.76 175.77 3k4x s ASP 706 N 1.19 4.71 0.00 0.00 -1.08 -1.26 -0.87 116.67 119.35 3k4x s ASP 706 Ca 0.02 -1.76 0.00 0.00 -0.52 0.00 0.00 52.55 50.29 3k4x s ASP 706 Cb -0.14 -1.63 0.00 0.00 -1.46 0.00 0.00 42.92 39.69 3k4x s ASP 706 CO -0.03 -0.31 0.00 0.61 0.52 0.00 0.00 175.17 175.96 3k4x n GLY 707 N 4.39 4.50 0.07 2.66 0.00 -1.13 -4.77 105.19 110.91 3k4x n GLY 707 Ca -0.05 -2.10 -0.13 0.00 0.00 0.00 0.00 46.02 43.73 3k4x n GLY 707 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3k4x h ASP 708 N 0.00 -0.00 0.18 1.61 3.32 -2.00 -3.31 116.42 116.23 3k4x h ASP 708 Ca 0.00 -0.83 -0.04 0.00 0.02 0.00 0.00 57.03 56.19 3k4x h ASP 708 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3k4x h ASP 708 CO 0.00 0.83 -0.18 0.16 -1.72 0.00 0.00 179.24 178.33 3k4x h ILE 709 N -0.85 1.11 0.00 0.35 3.07 -1.96 -3.46 117.51 115.76 3k4x h ILE 709 Ca -0.00 -0.61 0.00 0.00 1.55 0.00 0.00 64.86 65.80 3k4x h ILE 709 Cb 0.83 1.33 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 3k4x h ILE 709 CO 0.00 0.17 0.00 0.61 -1.05 0.00 0.00 178.15 177.88 3k4x n GLY 710 N -1.01 2.24 3.57 0.16 0.00 -1.25 -1.84 105.19 107.07 3k4x n GLY 710 Ca -0.02 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 3k4x n GLY 710 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k4x s SER 711 N 0.00 5.09 0.14 1.61 1.04 -0.65 -2.86 113.70 118.07 3k4x s SER 711 Ca 0.00 -0.01 0.08 0.00 0.48 0.00 0.00 55.95 56.50 3k4x s SER 711 Cb 0.00 -1.74 -0.04 0.00 0.10 0.00 0.00 66.02 64.34 3k4x s SER 711 CO 0.00 0.22 -0.12 -0.83 0.98 0.00 0.00 173.24 173.50 3k4x s GLY 712 N 0.04 1.74 -0.08 7.32 0.00 -0.05 0.09 107.32 116.39 3k4x s GLY 712 Ca 0.02 -1.37 -0.03 0.00 0.00 0.00 0.00 44.72 43.34 3k4x s GLY 712 CO 0.02 -1.36 0.17 -0.45 0.00 0.00 0.00 173.10 171.48 3k4x s SER 713 N -2.45 -0.12 -0.15 1.64 0.15 0.34 -1.54 113.70 111.56 3k4x s SER 713 Ca 0.22 0.36 -0.01 0.00 0.70 0.00 0.00 55.95 57.22 3k4x s SER 713 Cb -0.10 0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 64.44 3k4x s SER 713 CO 0.13 -0.16 -0.10 -0.69 1.20 0.00 0.00 173.24 173.63 3k4x s VAL 714 N 1.24 3.24 -0.21 4.45 1.01 0.68 -0.20 120.40 130.60 3k4x s VAL 714 Ca -0.09 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.33 3k4x s VAL 714 Cb -0.11 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 33.92 3k4x s VAL 714 CO -0.07 0.50 -0.13 -0.63 0.00 0.00 0.00 175.10 174.77 3k4x s ILE 715 N 0.56 1.94 0.18 2.22 1.01 -0.10 -0.48 121.20 126.54 3k4x s ILE 715 Ca -0.06 -1.20 0.07 0.00 0.00 0.00 0.00 60.65 59.45 3k4x s ILE 715 Cb -0.15 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 3k4x s ILE 715 CO 0.03 0.21 0.04 0.27 0.00 0.00 0.00 174.94 175.49 3k4x s ILE 716 N 1.26 3.90 0.03 2.92 -4.36 -0.27 -1.62 121.20 123.06 3k4x s ILE 716 Ca -0.02 -1.39 0.07 0.00 -0.26 0.00 0.00 60.65 59.04 3k4x s ILE 716 Cb -0.17 -2.99 -0.02 0.00 1.25 0.00 0.00 42.46 40.54 3k4x s ILE 716 CO -0.09 -0.15 -0.19 -0.54 0.24 0.00 0.00 174.94 174.21 3k4x s LYS 717 N -3.09 1.38 0.60 0.37 1.02 -1.01 -1.28 119.74 117.73 3k4x s LYS 717 Ca 0.29 -0.84 -0.20 0.00 0.02 0.00 0.00 55.97 55.24 3k4x s LYS 717 Cb -0.09 -1.44 -0.03 0.00 -0.52 0.00 0.00 37.83 35.75 3k4x s LYS 717 CO 0.20 0.37 1.33 -2.14 -0.92 0.00 0.00 175.35 174.20 3k4x s PRO 718 N -0.96 2.84 -0.17 -1.68 0.02 -1.26 -4.87 135.00 128.92 3k4x s PRO 718 Ca 0.07 2.16 -0.31 0.00 0.02 0.00 0.00 61.00 62.95 3k4x s PRO 718 Cb -0.08 -2.05 0.14 0.00 0.02 0.00 0.00 34.50 32.52 3k4x s PRO 718 CO 0.01 -1.41 1.08 -0.59 -0.33 0.00 0.00 177.00 175.77 3k4x s PHE 719 N -1.34 -0.27 -0.07 6.54 -0.12 -1.02 -4.96 117.98 116.74 3k4x s PHE 719 Ca 0.77 0.38 0.03 0.00 -0.05 0.00 0.00 56.93 58.06 3k4x s PHE 719 Cb -0.39 0.48 -0.02 0.00 -0.63 0.00 0.00 43.02 42.46 3k4x s PHE 719 CO 0.44 -0.29 -0.16 0.08 -0.05 0.00 0.00 175.22 175.23 3k4x s VAL 720 N -1.59 2.83 -0.30 -2.49 1.01 -1.26 -1.06 120.40 117.54 3k4x s VAL 720 Ca 0.03 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.25 3k4x s VAL 720 Cb -0.01 -2.12 0.09 0.00 0.00 0.00 0.00 36.38 34.34 3k4x s VAL 720 CO -0.03 0.57 0.01 -0.62 0.00 0.00 0.00 175.10 175.03 3k4x s ASP 721 N -0.30 4.44 0.13 3.32 3.68 -1.26 -5.01 116.67 121.67 3k4x s ASP 721 Ca 0.02 -1.77 -0.23 0.00 2.13 0.00 0.00 52.55 52.70 3k4x s ASP 721 Cb -0.13 -1.42 -0.02 0.00 -1.45 0.00 0.00 42.92 39.91 3k4x s ASP 721 CO 0.03 -0.33 1.65 0.24 0.13 0.00 0.00 175.17 176.89 3k4x h MET 722 N 7.77 -0.23 -0.16 4.34 2.86 -1.99 -2.61 114.93 124.91 3k4x h MET 722 Ca -0.11 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.60 3k4x h MET 722 Cb 1.03 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.68 3k4x h MET 722 CO 0.48 -0.16 -0.27 0.93 1.06 0.00 0.00 176.91 178.96 3k4x h GLU 723 N -0.24 -0.31 -3.75 1.72 3.07 -2.07 -3.33 114.58 109.66 3k4x h GLU 723 Ca 0.10 0.02 -0.64 0.00 -0.50 0.00 0.00 59.36 58.34 3k4x h GLU 723 Cb 0.38 0.07 -0.40 0.00 -0.84 0.00 0.00 28.75 27.96 3k4x h GLU 723 CO -0.26 -0.21 -0.68 -1.58 -1.40 0.00 0.00 179.01 174.87 3k4x s HIS 724 N -6.05 3.08 0.38 4.33 2.46 -1.11 -4.97 115.29 113.41 3k4x s HIS 724 Ca -0.15 -2.91 0.25 0.00 0.47 0.00 0.00 55.06 52.73 3k4x s HIS 724 Cb 0.11 -2.64 1.31 0.00 -0.13 0.00 0.00 32.58 31.23 3k4x s HIS 724 CO 0.67 -0.82 2.02 -1.35 -2.47 0.00 0.00 174.74 172.78 3k4x h PRO 725 N 7.00 0.00 0.00 2.88 0.11 -1.59 -2.91 132.00 137.49 3k4x h PRO 725 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3k4x h PRO 725 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3k4x h PRO 725 CO 0.59 0.15 0.00 0.39 -0.21 0.00 0.00 178.00 178.92 3k4x n GLU 726 N -3.68 0.84 0.00 1.05 -0.58 -1.26 -2.29 120.64 114.72 3k4x n GLU 726 Ca -0.02 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.75 3k4x n GLU 726 Cb 0.27 -1.12 0.02 0.00 -0.57 0.00 0.00 31.44 30.04 3k4x n GLU 726 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 3k4x n THR 727 N -0.62 0.00 -1.43 2.62 5.66 -1.10 -4.57 114.28 114.84 3k4x n THR 727 Ca 0.05 -0.49 -0.29 0.00 -3.05 0.00 0.00 64.05 60.27 3k4x n THR 727 Cb 0.02 1.11 0.14 0.00 -1.55 0.00 0.00 70.33 70.05 3k4x n THR 727 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 3k4x s SER 728 N -0.57 3.38 -0.20 1.09 0.01 -0.97 -4.83 113.70 111.61 3k4x s SER 728 Ca 0.06 1.07 -0.03 0.00 1.31 0.00 0.00 55.95 58.36 3k4x s SER 728 Cb 0.05 -1.69 0.07 0.00 0.21 0.00 0.00 66.02 64.65 3k4x s SER 728 CO 0.08 -2.65 0.06 -0.63 0.41 0.00 0.00 173.24 170.52 3k4x s ILE 729 N -3.17 0.37 -0.02 1.44 1.01 -0.23 -4.25 121.20 116.34 3k4x s ILE 729 Ca 0.64 -0.54 -0.18 0.00 0.00 0.00 0.00 60.65 60.57 3k4x s ILE 729 Cb -0.16 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.29 3k4x s ILE 729 CO 0.55 -0.29 0.52 -0.54 0.00 0.00 0.00 174.94 175.17 3k4x s LYS 730 N 1.92 4.22 -0.21 2.79 3.01 -0.62 -2.44 119.74 128.41 3k4x s LYS 730 Ca 0.01 0.58 -0.05 0.00 -1.01 0.00 0.00 55.97 55.51 3k4x s LYS 730 Cb -0.17 -3.33 0.07 0.00 -1.01 0.00 0.00 37.83 33.40 3k4x s LYS 730 CO -0.11 0.42 0.10 -1.17 0.51 0.00 0.00 175.35 175.10 3k4x s LEU 731 N -0.30 0.46 -0.15 3.17 2.96 -1.26 -1.30 118.68 122.27 3k4x s LEU 731 Ca 0.28 -0.87 -0.02 0.00 -0.22 0.00 0.00 54.13 53.30 3k4x s LEU 731 Cb -0.17 -0.30 -0.02 0.00 0.50 0.00 0.00 46.19 46.20 3k4x s LEU 731 CO 0.15 -0.38 -0.08 -1.83 -1.32 0.00 0.00 176.35 172.89 3k4x s GLU 732 N 2.11 3.53 -0.06 1.98 1.03 0.01 -4.92 118.70 122.38 3k4x s GLU 732 Ca 0.04 -0.60 0.01 0.00 0.03 0.00 0.00 54.97 54.45 3k4x s GLU 732 Cb -0.16 -2.80 0.02 0.00 -0.80 0.00 0.00 34.13 30.39 3k4x s GLU 732 CO -0.19 0.21 -0.05 1.41 -1.33 0.00 0.00 175.26 175.31 3k4x s MET 733 N 0.41 0.99 -0.09 -4.83 1.75 -1.26 -0.36 119.30 115.91 3k4x s MET 733 Ca -0.07 -0.13 0.11 0.00 -1.25 0.00 0.00 55.69 54.36 3k4x s MET 733 Cb -0.15 -1.02 -0.24 0.00 2.84 0.00 0.00 34.83 36.26 3k4x s MET 733 CO 0.04 -0.13 0.49 -0.25 -0.65 0.00 0.00 175.02 174.53 3k4x n ASP 734 N 4.31 0.91 -3.62 1.11 8.00 0.33 -4.99 116.55 122.59 3k4x n ASP 734 Ca -0.20 0.30 -0.14 0.00 0.71 0.00 0.00 54.79 55.46 3k4x n ASP 734 Cb 0.51 0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.55 3k4x n ASP 734 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3k4x s GLN 735 N -2.57 0.86 0.39 -1.24 0.74 -0.68 -5.06 119.66 112.09 3k4x s GLN 735 Ca -0.09 0.92 -0.25 0.00 0.05 0.00 0.00 55.36 56.00 3k4x s GLN 735 Cb 0.07 0.42 -0.12 0.00 1.10 0.00 0.00 33.01 34.48 3k4x s GLN 735 CO 0.81 -0.12 0.90 -2.30 -0.55 0.00 0.00 175.29 174.03 3k4x n PRO 736 N 2.51 1.16 -4.49 1.67 -0.02 -1.26 -4.37 135.00 130.19 3k4x n PRO 736 Ca -0.15 0.41 -0.26 0.00 -2.02 0.00 0.00 63.50 61.48 3k4x n PRO 736 Cb 0.55 -1.87 -0.13 0.00 -0.02 0.00 0.00 33.50 32.03 3k4x n PRO 736 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3k4x s VAL 737 N -1.26 1.90 -0.45 -1.45 1.01 -0.65 -4.97 120.40 114.52 3k4x s VAL 737 Ca 0.62 -1.49 0.05 0.00 0.00 0.00 0.00 61.98 61.17 3k4x s VAL 737 Cb -0.60 -1.68 0.19 0.00 0.00 0.00 0.00 36.38 34.28 3k4x s VAL 737 CO 0.58 0.11 0.52 -0.67 0.00 0.00 0.00 175.10 175.63 3k4x n ASP 738 N 1.33 -1.66 -4.60 3.32 2.03 -1.26 -0.84 116.55 114.87 3k4x n ASP 738 Ca -0.18 -2.63 -0.26 0.00 0.52 0.00 0.00 54.79 52.23 3k4x n ASP 738 Cb 0.53 0.40 -0.09 0.00 -0.72 0.00 0.00 41.12 41.24 3k4x n ASP 738 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3k4x s LEU 739 N 0.25 3.09 -0.07 -2.67 1.43 -0.24 -4.97 118.68 115.50 3k4x s LEU 739 Ca 0.32 -0.53 0.05 0.00 -1.03 0.00 0.00 54.13 52.94 3k4x s LEU 739 Cb 0.04 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 3k4x s LEU 739 CO -0.14 0.09 -0.24 -0.89 0.23 0.00 0.00 176.35 175.40 3k4x s THR 740 N -1.76 2.14 0.05 5.49 2.01 -1.26 0.01 115.64 122.31 3k4x s THR 740 Ca 0.26 -1.03 0.07 0.00 0.31 0.00 0.00 61.69 61.30 3k4x s THR 740 Cb -0.09 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 3k4x s THR 740 CO 0.16 0.57 -0.20 -0.36 -0.69 0.00 0.00 174.62 174.10 3k4x s PHE 741 N -0.10 1.75 0.06 4.92 0.08 0.06 -0.94 117.98 123.81 3k4x s PHE 741 Ca -0.05 -0.37 -0.31 0.00 0.12 0.00 0.00 56.93 56.32 3k4x s PHE 741 Cb -0.14 -1.04 -0.08 0.00 -0.57 0.00 0.00 43.02 41.19 3k4x s PHE 741 CO 0.04 0.09 1.67 0.20 -0.10 0.00 0.00 175.22 177.12 3k4x s GLY 742 N -1.21 1.55 0.51 4.36 0.00 -1.26 -0.91 107.32 110.35 3k4x s GLY 742 Ca 0.07 1.20 0.17 0.00 0.00 0.00 0.00 44.72 46.16 3k4x s GLY 742 CO 0.02 2.92 2.10 0.00 0.00 0.00 0.00 173.10 178.14 3k4x h ALA 743 N 8.46 2.08 -0.62 3.20 0.00 -1.38 -1.80 119.26 129.19 3k4x h ALA 743 Ca -0.43 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.56 3k4x h ALA 743 Cb 1.20 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 3k4x h ALA 743 CO 0.93 -0.12 0.26 -0.22 0.00 0.00 0.00 179.25 180.10 3k4x h LYS 744 N 0.08 0.45 0.09 0.00 3.64 -1.90 -1.72 116.57 117.20 3k4x h LYS 744 Ca 0.08 -0.03 -0.29 0.00 -1.27 0.00 0.00 60.65 59.15 3k4x h LYS 744 Cb 0.24 -0.10 0.03 0.00 -0.41 0.00 0.00 32.23 31.98 3k4x h LYS 744 CO -0.01 0.30 -1.19 1.88 -2.27 0.00 0.00 179.45 178.16 3k4x h TYR 745 N 0.46 1.01 -0.06 1.91 0.05 -1.73 -3.25 116.97 115.37 3k4x h TYR 745 Ca 0.31 -0.61 -0.04 0.00 0.05 0.00 0.00 58.73 58.44 3k4x h TYR 745 Cb 0.35 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 3k4x h TYR 745 CO -0.15 1.45 -0.13 -0.07 -1.05 0.00 0.00 178.16 178.21 3k4x h LEU 746 N 0.31 0.09 -1.72 3.88 3.38 -1.30 -0.61 115.31 119.34 3k4x h LEU 746 Ca -0.17 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3k4x h LEU 746 Cb 1.85 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.58 3k4x h LEU 746 CO 0.23 0.23 -0.16 -0.07 0.09 0.00 0.00 178.44 178.76 3k4x h LEU 747 N 0.09 0.00 0.15 1.67 3.38 -1.35 -1.41 115.31 117.85 3k4x h LEU 747 Ca 0.02 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.66 3k4x h LEU 747 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3k4x h LEU 747 CO 0.02 0.16 -1.64 0.44 0.09 0.00 0.00 178.44 177.51 3k4x h ASP 748 N 0.00 0.49 0.16 -0.43 3.32 -1.24 -3.36 116.42 115.36 3k4x h ASP 748 Ca -0.00 -0.72 -0.10 0.00 0.02 0.00 0.00 57.03 56.23 3k4x h ASP 748 Cb 0.43 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3k4x h ASP 748 CO 0.02 1.60 -0.35 0.40 -1.72 0.00 0.00 179.24 179.19 3k4x h ILE 749 N 0.09 1.29 0.00 0.35 2.04 -0.89 -2.50 117.51 117.88 3k4x h ILE 749 Ca -0.29 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.18 3k4x h ILE 749 Cb 2.06 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.71 3k4x h ILE 749 CO 0.17 0.42 0.00 0.16 0.00 0.00 0.00 178.15 178.90 3k4x h ILE 750 N 0.24 0.00 0.00 -0.67 3.07 -1.41 -2.78 117.51 115.96 3k4x h ILE 750 Ca 0.03 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 66.15 3k4x h ILE 750 Cb 0.74 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 38.36 3k4x h ILE 750 CO 0.06 0.00 0.00 0.29 -1.05 0.00 0.00 178.15 177.45 3k4x n LYS 751 N -2.34 0.25 -0.03 0.16 5.02 -0.94 -1.30 118.16 118.99 3k4x n LYS 751 Ca 0.02 0.13 0.11 0.00 -2.02 0.00 0.00 58.31 56.55 3k4x n LYS 751 Cb 0.25 -1.50 0.54 0.00 -0.02 0.00 0.00 35.03 34.30 3k4x n LYS 751 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k4x n GLY 752 N 0.02 -0.47 0.00 0.72 0.00 -1.05 -3.81 105.19 100.60 3k4x n GLY 752 Ca 0.08 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.92 3k4x n GLY 752 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k4x n SER 753 N -0.34 0.00 0.01 1.61 3.41 -0.42 -1.54 113.62 116.35 3k4x n SER 753 Ca 0.16 -0.16 0.12 0.00 -0.26 0.00 0.00 58.87 58.74 3k4x n SER 753 Cb 0.19 -0.18 0.21 0.00 -0.26 0.00 0.00 64.21 64.16 3k4x n SER 753 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3k4x n SER 754 N -1.18 0.55 -0.08 4.04 3.41 -1.25 -4.12 113.62 114.99 3k4x n SER 754 Ca 0.10 -0.21 -0.10 0.00 -0.26 0.00 0.00 58.87 58.40 3k4x n SER 754 Cb 0.11 0.31 -0.15 0.00 -0.26 0.00 0.00 64.21 64.21 3k4x n SER 754 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3k4x n LEU 755 N -1.63 0.26 -3.81 1.04 4.77 -0.59 -4.98 117.00 112.06 3k4x n LEU 755 Ca 0.05 0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 3k4x n LEU 755 Cb 0.36 0.40 -0.10 0.00 -2.33 0.00 0.00 43.42 41.75 3k4x n LEU 755 CO 0.36 0.47 -0.07 -0.55 -1.33 0.00 0.00 177.39 176.27 3k4x s SER 756 N -5.66 -0.12 0.33 -1.43 0.15 -1.22 -4.65 113.70 101.09 3k4x s SER 756 Ca -0.09 0.05 0.16 0.00 0.70 0.00 0.00 55.95 56.77 3k4x s SER 756 Cb 0.07 0.31 0.48 0.00 -1.71 0.00 0.00 66.02 65.16 3k4x s SER 756 CO 0.83 -0.35 1.64 0.44 1.20 0.00 0.00 173.24 177.00 3k4x h ASP 757 N 4.39 0.00 -2.95 5.45 3.32 -1.90 -3.42 116.42 121.31 3k4x h ASP 757 Ca -0.29 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.13 3k4x h ASP 757 Cb 1.19 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.59 3k4x h ASP 757 CO 0.39 0.48 -0.73 -0.13 -1.72 0.00 0.00 179.24 177.53 3k4x s ARG 758 N -3.46 1.98 -0.08 3.56 0.52 -1.26 0.85 118.95 121.05 3k4x s ARG 758 Ca 0.00 -1.34 0.01 0.00 -0.52 0.00 0.00 55.73 53.89 3k4x s ARG 758 Cb 0.11 -2.10 0.02 0.00 0.52 0.00 0.00 34.95 33.50 3k4x s ARG 758 CO 0.72 0.42 -0.11 0.54 0.02 0.00 0.00 175.30 176.89 3k4x s VAL 759 N -1.77 1.10 0.08 3.52 0.11 -0.04 -4.57 120.40 118.82 3k4x s VAL 759 Ca 0.25 -0.41 -0.23 0.00 -2.93 0.00 0.00 61.98 58.66 3k4x s VAL 759 Cb -0.08 -1.04 -0.06 0.00 -1.53 0.00 0.00 36.38 33.66 3k4x s VAL 759 CO 0.15 0.36 0.69 -0.83 -3.33 0.00 0.00 175.10 172.14 3k4x s GLY 760 N 1.05 2.76 -0.21 6.54 0.00 0.46 -2.82 107.32 115.11 3k4x s GLY 760 Ca -0.07 0.20 -0.02 0.00 0.00 0.00 0.00 44.72 44.83 3k4x s GLY 760 CO -0.01 0.82 0.01 -0.42 0.00 0.00 0.00 173.10 173.50 3k4x s ILE 761 N -0.63 0.83 -0.27 0.90 1.01 0.35 -0.58 121.20 122.81 3k4x s ILE 761 Ca 0.34 -0.81 -0.09 0.00 0.00 0.00 0.00 60.65 60.10 3k4x s ILE 761 Cb -0.21 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 3k4x s ILE 761 CO 0.22 -0.21 0.12 -0.13 0.00 0.00 0.00 174.94 174.93 3k4x s ARG 762 N 1.71 3.67 -0.04 2.79 1.81 0.19 -1.27 118.95 127.81 3k4x s ARG 762 Ca -0.02 -0.48 0.04 0.00 -1.72 0.00 0.00 55.73 53.55 3k4x s ARG 762 Cb -0.18 -3.46 -0.03 0.00 -0.45 0.00 0.00 34.95 30.84 3k4x s ARG 762 CO -0.09 -0.23 -0.15 -0.51 -0.68 0.00 0.00 175.30 173.64 3k4x s LEU 763 N 1.65 2.67 0.00 2.53 1.43 0.41 -0.32 118.68 127.06 3k4x s LEU 763 Ca 0.06 -0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 52.80 3k4x s LEU 763 Cb -0.16 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.55 3k4x s LEU 763 CO 0.06 0.34 0.29 -0.55 0.23 0.00 0.00 176.35 176.72 3k4x s SER 764 N -0.75 -0.15 0.05 2.29 0.15 -1.26 -0.37 113.70 113.67 3k4x s SER 764 Ca 0.11 -0.02 0.04 0.00 0.70 0.00 0.00 55.95 56.79 3k4x s SER 764 Cb -0.11 0.31 -0.24 0.00 -1.71 0.00 0.00 66.02 64.27 3k4x s SER 764 CO 0.01 -0.48 1.03 0.77 1.20 0.00 0.00 173.24 175.76 3k4x h SER 765 N 3.75 0.16 -0.07 5.45 4.64 -1.96 -3.31 113.55 122.21 3k4x h SER 765 Ca -0.30 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3k4x h SER 765 Cb 1.18 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3k4x h SER 765 CO 0.42 1.17 0.00 -0.62 -0.87 0.00 0.00 176.83 176.93 3k4x n GLU 766 N -3.34 2.29 -4.12 4.77 -0.58 -1.26 -4.97 120.64 113.43 3k4x n GLU 766 Ca -0.09 -1.88 -0.12 0.00 -0.42 0.00 0.00 57.16 54.65 3k4x n GLU 766 Cb 1.00 -1.47 -0.11 0.00 -0.57 0.00 0.00 31.44 30.30 3k4x n GLU 766 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3k4x s ALA 767 N -1.95 0.78 0.32 0.62 0.00 -1.25 -5.14 121.76 115.15 3k4x s ALA 767 Ca 0.30 -1.07 -0.29 0.00 0.00 0.00 0.00 51.96 50.90 3k4x s ALA 767 Cb 0.20 0.10 -0.10 0.00 0.00 0.00 0.00 23.12 23.33 3k4x s ALA 767 CO 0.30 -0.13 1.33 -2.14 0.00 0.00 0.00 175.76 175.12 3k4x s PRO 768 N -2.76 4.34 0.53 0.00 0.02 -1.26 -4.19 135.00 131.68 3k4x s PRO 768 Ca 0.01 2.24 -0.22 0.00 0.02 0.00 0.00 61.00 63.06 3k4x s PRO 768 Cb -0.02 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.38 3k4x s PRO 768 CO -0.02 -0.23 1.29 0.00 -0.33 0.00 0.00 177.00 177.71 3k4x s ALA 769 N -0.99 2.81 -0.19 -1.55 0.00 0.84 -4.76 121.76 117.92 3k4x s ALA 769 Ca 0.50 1.20 -0.03 0.00 0.00 0.00 0.00 51.96 53.63 3k4x s ALA 769 Cb -0.40 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.20 3k4x s ALA 769 CO 0.52 -1.18 -0.07 -1.17 0.00 0.00 0.00 175.76 173.86 3k4x s LEU 770 N -3.49 2.86 -0.28 0.00 0.20 0.57 -1.22 118.68 117.32 3k4x s LEU 770 Ca 0.71 -0.36 -0.01 0.00 0.69 0.00 0.00 54.13 55.16 3k4x s LEU 770 Cb -0.36 -1.70 0.04 0.00 -0.43 0.00 0.00 46.19 43.74 3k4x s LEU 770 CO 0.43 0.05 -0.03 -0.36 -0.29 0.00 0.00 176.35 176.14 3k4x s PHE 771 N 1.06 3.21 -0.10 5.38 0.40 0.34 -0.64 117.98 127.63 3k4x s PHE 771 Ca 0.00 -1.85 0.03 0.00 -0.60 0.00 0.00 56.93 54.51 3k4x s PHE 771 Cb -0.15 -2.07 -0.01 0.00 0.51 0.00 0.00 43.02 41.31 3k4x s PHE 771 CO -0.01 -0.80 -0.20 -1.14 0.70 0.00 0.00 175.22 173.77 3k4x s GLN 772 N 1.25 3.05 -0.26 0.44 0.74 0.25 -0.06 119.66 125.07 3k4x s GLN 772 Ca -0.04 -0.81 0.00 0.00 0.05 0.00 0.00 55.36 54.55 3k4x s GLN 772 Cb -0.19 -2.38 0.04 0.00 1.10 0.00 0.00 33.01 31.58 3k4x s GLN 772 CO -0.02 0.24 -0.07 -0.06 -0.55 0.00 0.00 175.29 174.83 3k4x s PHE 773 N 0.21 3.15 -0.34 1.67 0.08 -0.29 -0.41 117.98 122.05 3k4x s PHE 773 Ca -0.13 -1.88 -0.20 0.00 0.12 0.00 0.00 56.93 54.84 3k4x s PHE 773 Cb -0.16 -2.02 -0.00 0.00 -0.57 0.00 0.00 43.02 40.27 3k4x s PHE 773 CO 0.07 -0.80 0.62 -0.51 -0.10 0.00 0.00 175.22 174.50 3k4x s ASP 774 N 1.23 6.44 0.72 1.36 1.01 -1.26 -0.56 116.67 125.61 3k4x s ASP 774 Ca -0.04 0.22 -0.02 0.00 0.71 0.00 0.00 52.55 53.42 3k4x s ASP 774 Cb -0.18 -2.32 0.05 0.00 1.01 0.00 0.00 42.92 41.48 3k4x s ASP 774 CO -0.05 -0.55 0.32 0.18 0.21 0.00 0.00 175.17 175.29 3k4x n LEU 775 N 5.97 0.00 -4.58 1.23 4.77 -0.62 -4.71 117.00 119.05 3k4x n LEU 775 Ca -0.01 -0.50 -0.43 0.00 -0.03 0.00 0.00 56.01 55.04 3k4x n LEU 775 Cb 0.49 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 3k4x n LEU 775 CO 0.48 -0.69 0.79 -0.54 -1.33 0.00 0.00 177.39 176.09 3k4x s LYS 776 N -3.44 3.67 -1.21 3.23 1.02 -1.26 -3.72 119.74 118.02 3k4x s LYS 776 Ca 0.20 0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.55 3k4x s LYS 776 Cb -0.01 -3.88 0.00 0.00 -0.52 0.00 0.00 37.83 33.42 3k4x s LYS 776 CO 0.13 -1.15 0.00 0.43 -0.92 0.00 0.00 175.35 173.85 3k4x n SER 777 N 7.12 -4.24 -2.31 2.83 7.64 -1.26 -4.44 113.62 118.95 3k4x n SER 777 Ca 0.07 0.16 -0.05 0.00 1.01 0.00 0.00 58.87 60.06 3k4x n SER 777 Cb 0.48 -3.13 0.02 0.00 -1.01 0.00 0.00 64.21 60.57 3k4x n SER 777 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4x n GLY 778 N -1.24 1.17 3.53 0.23 0.00 -1.24 0.57 105.19 108.21 3k4x n GLY 778 Ca -0.14 -1.15 -0.08 0.00 0.00 0.00 0.00 46.02 44.65 3k4x n GLY 778 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3k4x s PHE 779 N -4.07 -0.35 -0.16 1.61 -0.12 -0.46 -1.59 117.98 112.83 3k4x s PHE 779 Ca 0.12 0.17 -0.01 0.00 -0.05 0.00 0.00 56.93 57.16 3k4x s PHE 779 Cb -0.03 0.56 0.04 0.00 -0.63 0.00 0.00 43.02 42.97 3k4x s PHE 779 CO 0.07 -0.67 -0.03 -1.17 -0.05 0.00 0.00 175.22 173.37 3k4x s LEU 780 N -2.62 1.43 -0.13 -1.99 2.96 0.27 -1.90 118.68 116.70 3k4x s LEU 780 Ca 0.05 -0.64 -0.05 0.00 -0.22 0.00 0.00 54.13 53.27 3k4x s LEU 780 Cb -0.01 -0.79 -0.04 0.00 0.50 0.00 0.00 46.19 45.85 3k4x s LEU 780 CO -0.08 -0.21 0.04 -1.10 -1.32 0.00 0.00 176.35 173.67 3k4x s GLN 781 N 1.72 3.44 -0.27 1.98 -0.21 0.89 -1.14 119.66 126.06 3k4x s GLN 781 Ca 0.01 -0.36 0.02 0.00 0.02 0.00 0.00 55.36 55.04 3k4x s GLN 781 Cb -0.15 -2.99 0.06 0.00 1.00 0.00 0.00 33.01 30.92 3k4x s GLN 781 CO -0.07 0.53 -0.08 -0.06 -2.12 0.00 0.00 175.29 173.49 3k4x s PHE 782 N -0.37 3.27 -0.63 0.91 0.40 0.91 -0.56 117.98 121.90 3k4x s PHE 782 Ca 0.08 -2.19 -0.16 0.00 -0.60 0.00 0.00 56.93 54.06 3k4x s PHE 782 Cb -0.12 -1.99 0.15 0.00 0.51 0.00 0.00 43.02 41.57 3k4x s PHE 782 CO 0.02 -0.86 0.63 -0.06 0.70 0.00 0.00 175.22 175.65 3k4x s PHE 783 N 1.15 3.32 -0.06 0.36 0.40 0.00 -0.50 117.98 122.65 3k4x s PHE 783 Ca -0.08 -1.40 -0.07 0.00 -0.60 0.00 0.00 56.93 54.78 3k4x s PHE 783 Cb -0.20 -3.87 -0.04 0.00 0.51 0.00 0.00 43.02 39.42 3k4x s PHE 783 CO -0.04 -1.08 0.21 -1.17 0.70 0.00 0.00 175.22 173.84 3k4x s LEU 784 N 1.51 4.39 -0.20 -0.37 2.96 -0.36 -1.95 118.68 124.66 3k4x s LEU 784 Ca 0.09 0.53 -0.11 0.00 -0.22 0.00 0.00 54.13 54.43 3k4x s LEU 784 Cb -0.23 -2.35 -0.05 0.00 0.50 0.00 0.00 46.19 44.06 3k4x s LEU 784 CO 0.00 0.34 0.16 0.00 -1.32 0.00 0.00 176.35 175.54 3k4x s ALA 785 N -1.14 3.66 0.58 5.97 0.00 -1.09 -0.11 121.76 129.63 3k4x s ALA 785 Ca 0.21 -0.69 -0.19 0.00 0.00 0.00 0.00 51.96 51.29 3k4x s ALA 785 Cb -0.13 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 3k4x s ALA 785 CO 0.10 0.07 1.17 -2.14 0.00 0.00 0.00 175.76 174.96 3k4x s PRO 786 N 0.54 3.09 0.00 0.00 0.02 -1.26 -4.83 135.00 132.55 3k4x s PRO 786 Ca 0.09 1.72 0.01 0.00 0.02 0.00 0.00 61.00 62.84 3k4x s PRO 786 Cb -0.12 -1.96 0.05 0.00 0.02 0.00 0.00 34.50 32.50 3k4x s PRO 786 CO 0.00 -1.09 0.55 1.63 -0.33 0.00 0.00 177.00 177.77