#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqa s ASP 2 N 0.00 5.34 0.16 6.12 1.01 -1.26 -4.75 116.67 123.29 3kqa s ASP 2 Ca 0.00 2.55 0.02 0.00 0.71 0.00 0.00 52.55 55.83 3kqa s ASP 2 Cb 0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 3kqa s ASP 2 CO 0.00 -1.50 -0.01 -0.54 0.21 0.00 0.00 175.17 173.32 3kqa s LYS 3 N -3.04 1.07 -0.19 8.23 1.02 -0.08 -2.89 119.74 123.87 3kqa s LYS 3 Ca 0.73 -1.50 -0.03 0.00 0.02 0.00 0.00 55.97 55.19 3kqa s LYS 3 Cb -0.35 -0.28 -0.01 0.00 -0.52 0.00 0.00 37.83 36.67 3kqa s LYS 3 CO 0.40 -0.10 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.60 3kqa s PHE 4 N -3.63 2.92 -0.31 3.18 2.99 0.05 0.26 117.98 123.44 3kqa s PHE 4 Ca 0.22 -0.79 -0.10 0.00 0.00 0.00 0.00 56.93 56.25 3kqa s PHE 4 Cb 0.06 -2.01 -0.02 0.00 0.00 0.00 0.00 43.02 41.05 3kqa s PHE 4 CO 0.02 -0.39 0.17 0.50 -0.00 0.00 0.00 175.22 175.52 3kqa s ARG 5 N 1.01 3.50 0.01 0.44 3.52 0.94 -1.09 118.95 127.28 3kqa s ARG 5 Ca -0.00 -0.62 0.05 0.00 -0.13 0.00 0.00 55.73 55.03 3kqa s ARG 5 Cb -0.15 -3.62 -0.03 0.00 -1.56 0.00 0.00 34.95 29.59 3kqa s ARG 5 CO -0.00 -0.37 -0.13 0.08 -0.81 0.00 0.00 175.30 174.07 3kqa s VAL 6 N 1.66 3.20 -0.11 7.11 1.01 -0.18 -1.19 120.40 131.91 3kqa s VAL 6 Ca 0.05 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.12 3kqa s VAL 6 Cb -0.17 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.86 3kqa s VAL 6 CO 0.08 0.40 -0.20 -1.10 0.00 0.00 0.00 175.10 174.28 3kqa s GLN 7 N -1.33 2.67 0.21 2.72 -0.21 0.69 -0.54 119.66 123.88 3kqa s GLN 7 Ca 0.15 -0.73 0.01 0.00 0.02 0.00 0.00 55.36 54.81 3kqa s GLN 7 Cb -0.11 -2.14 -0.01 0.00 1.00 0.00 0.00 33.01 31.76 3kqa s GLN 7 CO 0.06 0.03 0.05 0.41 -2.12 0.00 0.00 175.29 173.71 3kqa n GLY 8 N 3.94 3.73 3.85 3.09 0.00 0.15 -4.30 105.19 115.66 3kqa n GLY 8 Ca -0.20 -2.09 -0.32 0.00 0.00 0.00 0.00 46.02 43.42 3kqa n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kqa s PRO 9 N -2.80 3.94 0.05 1.61 0.04 -1.11 -2.59 135.00 134.15 3kqa s PRO 9 Ca 0.07 0.66 0.02 0.00 0.04 0.00 0.00 61.00 61.79 3kqa s PRO 9 Cb 0.00 -2.38 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 3kqa s PRO 9 CO 0.05 0.05 -0.06 0.95 0.04 0.00 0.00 177.00 178.02 3kqa s THR 10 N -2.18 0.49 -0.17 1.26 -4.23 0.29 -4.98 115.64 106.12 3kqa s THR 10 Ca 0.54 -1.30 -0.13 0.00 -1.18 0.00 0.00 61.69 59.62 3kqa s THR 10 Cb -0.10 -0.86 -0.05 0.00 1.34 0.00 0.00 72.50 72.83 3kqa s THR 10 CO 0.23 -0.55 0.25 -0.60 -0.54 0.00 0.00 174.62 173.41 3kqa s ARG 11 N -2.24 4.24 -0.30 3.99 3.52 -1.26 -4.50 118.95 122.41 3kqa s ARG 11 Ca -0.05 0.01 -0.13 0.00 -0.13 0.00 0.00 55.73 55.44 3kqa s ARG 11 Cb -0.05 -3.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.87 3kqa s ARG 11 CO -0.02 0.24 0.28 -0.51 -0.81 0.00 0.00 175.30 174.48 3kqa s LEU 12 N 0.48 4.18 0.17 -0.88 1.43 -1.26 -4.61 118.68 118.20 3kqa s LEU 12 Ca 0.14 -0.04 -0.23 0.00 -1.03 0.00 0.00 54.13 52.97 3kqa s LEU 12 Cb -0.13 -2.24 0.06 0.00 0.03 0.00 0.00 46.19 43.92 3kqa s LEU 12 CO 0.02 -0.17 0.61 0.00 0.23 0.00 0.00 176.35 177.05 3kqa s GLN 13 N 1.88 1.34 0.00 1.70 -2.07 -0.27 -3.78 119.66 118.45 3kqa s GLN 13 Ca 0.10 -0.54 0.00 0.00 -1.82 0.00 0.00 55.36 53.10 3kqa s GLN 13 Cb -0.16 0.59 0.00 0.00 -1.09 0.00 0.00 33.01 32.35 3kqa s GLN 13 CO 0.11 -0.59 0.00 0.41 -1.32 0.00 0.00 175.29 173.90 3kqa n GLY 14 N -0.39 0.19 3.31 2.60 0.00 -0.72 -4.37 105.19 105.82 3kqa n GLY 14 Ca -0.15 -1.62 -0.17 0.00 0.00 0.00 0.00 46.02 44.07 3kqa n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kqa s GLU 15 N -0.77 1.23 -0.08 1.61 2.02 -1.26 -1.94 118.70 119.51 3kqa s GLU 15 Ca 0.00 -1.52 -0.10 0.00 0.02 0.00 0.00 54.97 53.37 3kqa s GLU 15 Cb 0.00 -0.98 0.02 0.00 0.10 0.00 0.00 34.13 33.28 3kqa s GLU 15 CO 0.00 0.16 0.26 0.54 0.02 0.00 0.00 175.26 176.24 3kqa s VAL 16 N -2.98 0.01 -0.28 2.63 0.11 -0.68 -4.78 120.40 114.43 3kqa s VAL 16 Ca 0.20 -0.09 -0.07 0.00 -2.93 0.00 0.00 61.98 59.08 3kqa s VAL 16 Cb -0.00 -0.40 -0.01 0.00 -1.53 0.00 0.00 36.38 34.44 3kqa s VAL 16 CO 0.05 -0.05 0.08 -0.89 -3.33 0.00 0.00 175.10 170.96 3kqa s THR 17 N -0.10 4.18 0.15 5.04 2.01 -1.26 -0.29 115.64 125.36 3kqa s THR 17 Ca -0.02 -0.44 -0.31 0.00 0.31 0.00 0.00 61.69 61.23 3kqa s THR 17 Cb -0.03 -3.06 -0.09 0.00 0.01 0.00 0.00 72.50 69.34 3kqa s THR 17 CO 0.01 0.19 1.44 -0.63 -0.69 0.00 0.00 174.62 174.94 3kqa s ILE 18 N 1.56 3.02 0.74 1.82 -1.09 -0.37 -4.94 121.20 121.94 3kqa s ILE 18 Ca 0.05 0.76 -0.11 0.00 -2.23 0.00 0.00 60.65 59.11 3kqa s ILE 18 Cb -0.16 -3.48 0.04 0.00 -1.58 0.00 0.00 42.46 37.28 3kqa s ILE 18 CO 0.03 0.07 1.11 -0.44 -1.23 0.00 0.00 174.94 174.49 3kqa s SER 19 N 0.94 5.07 0.62 3.58 0.01 -1.26 -4.81 113.70 117.86 3kqa s SER 19 Ca 0.65 0.94 -0.15 0.00 1.31 0.00 0.00 55.95 58.70 3kqa s SER 19 Cb -0.39 -1.63 -0.02 0.00 0.21 0.00 0.00 66.02 64.19 3kqa s SER 19 CO 0.33 -1.55 1.07 -0.83 0.41 0.00 0.00 173.24 172.66 3kqa s GLY 20 N -4.45 2.05 -0.24 3.44 0.00 -1.24 -0.57 107.32 106.31 3kqa s GLY 20 Ca 0.59 0.37 -0.29 0.00 0.00 0.00 0.00 44.72 45.39 3kqa s GLY 20 CO 0.50 0.69 1.37 0.00 0.00 0.00 0.00 173.10 175.66 3kqa s ALA 21 N -2.53 3.43 0.40 3.20 0.00 -0.11 -4.37 121.76 121.77 3kqa s ALA 21 Ca 0.63 0.30 0.08 0.00 0.00 0.00 0.00 51.96 52.97 3kqa s ALA 21 Cb -0.16 -3.75 0.85 0.00 0.00 0.00 0.00 23.12 20.06 3kqa s ALA 21 CO 0.41 -1.64 2.02 -0.22 0.00 0.00 0.00 175.76 176.32 3kqa h LYS 22 N 9.32 0.57 0.00 0.00 3.64 -1.92 0.10 116.57 128.28 3kqa h LYS 22 Ca -0.28 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 3kqa h LYS 22 Cb 1.11 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3kqa h LYS 22 CO 1.01 0.38 0.00 0.09 -2.27 0.00 0.00 179.45 178.66 3kqa n ASN 23 N -4.47 0.00 -0.08 4.20 3.02 -1.26 -1.06 115.26 115.60 3kqa n ASN 23 Ca 0.07 0.36 -0.10 0.00 -0.03 0.00 0.00 54.58 54.88 3kqa n ASN 23 Cb 0.17 -0.44 -0.09 0.00 -0.61 0.00 0.00 39.78 38.81 3kqa n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kqa n ALA 24 N -1.44 1.63 -0.28 5.41 0.00 -0.58 -4.42 120.51 120.83 3kqa n ALA 24 Ca 0.05 -0.83 -0.05 0.00 0.00 0.00 0.00 53.44 52.62 3kqa n ALA 24 Cb 0.19 0.03 0.07 0.00 0.00 0.00 0.00 19.45 19.74 3kqa n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqa h ALA 25 N 0.27 1.00 0.54 0.00 0.00 -0.54 -2.32 119.26 118.19 3kqa h ALA 25 Ca -0.39 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 3kqa h ALA 25 Cb 1.71 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 19.20 3kqa h ALA 25 CO -0.03 0.49 -0.26 -0.07 0.00 0.00 0.00 179.25 179.38 3kqa h LEU 26 N 1.07 -0.61 -1.48 0.00 3.38 -1.33 0.17 115.31 116.51 3kqa h LEU 26 Ca 0.28 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 3kqa h LEU 26 Cb 0.01 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3kqa h LEU 26 CO -0.05 -0.43 -0.10 1.55 0.09 0.00 0.00 178.44 179.51 3kqa h PRO 27 N -0.74 0.21 -0.38 1.13 0.13 -1.76 -2.39 132.00 128.21 3kqa h PRO 27 Ca -0.07 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.95 3kqa h PRO 27 Cb 0.56 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 3kqa h PRO 27 CO 0.12 0.32 0.00 0.82 -0.23 0.00 0.00 178.00 179.04 3kqa h ILE 28 N 0.21 1.26 -0.63 -3.56 2.04 -1.17 0.02 117.51 115.68 3kqa h ILE 28 Ca 0.04 -0.99 0.05 0.00 1.00 0.00 0.00 64.86 64.97 3kqa h ILE 28 Cb 0.31 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 3kqa h ILE 28 CO 0.02 0.33 0.34 -0.07 0.00 0.00 0.00 178.15 178.77 3kqa h LEU 29 N 0.49 0.51 -0.64 1.44 3.38 -0.17 0.47 115.31 120.78 3kqa h LEU 29 Ca 0.11 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 3kqa h LEU 29 Cb 0.46 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3kqa h LEU 29 CO 0.02 0.34 -0.62 -0.26 0.09 0.00 0.00 178.44 178.01 3kqa h PHE 30 N 0.64 0.29 0.00 1.13 -1.00 -1.29 -2.72 116.94 114.00 3kqa h PHE 30 Ca 0.28 -0.11 -0.03 0.00 2.81 0.00 0.00 57.97 60.91 3kqa h PHE 30 Cb 0.16 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.67 3kqa h PHE 30 CO -0.08 0.78 -0.15 0.00 -1.61 0.00 0.00 178.31 177.25 3kqa h ALA 31 N 1.19 1.45 0.00 2.45 0.00 -0.14 -1.65 119.26 122.56 3kqa h ALA 31 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kqa h ALA 31 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3kqa h ALA 31 CO 0.09 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.53 3kqa h ALA 32 N 1.85 1.00 0.00 0.00 0.00 -0.60 -1.36 119.26 120.16 3kqa h ALA 32 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kqa h ALA 32 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3kqa h ALA 32 CO 0.02 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.20 3kqa h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -1.42 -1.83 115.31 115.45 3kqa h LEU 33 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3kqa h LEU 33 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3kqa h LEU 33 CO 0.00 0.00 -0.62 -0.07 0.09 0.00 0.00 178.44 177.84 3kqa h LEU 34 N 0.00 0.00 -9.35 1.67 3.38 -1.44 -3.47 115.31 106.10 3kqa h LEU 34 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 3kqa h LEU 34 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3kqa h LEU 34 CO 0.00 0.56 0.91 0.00 0.09 0.00 0.00 178.44 180.01 3kqa s ALA 35 N -2.93 3.61 -0.96 1.53 0.00 -0.69 -4.31 121.76 118.02 3kqa s ALA 35 Ca 0.03 0.92 0.27 0.00 0.00 0.00 0.00 51.96 53.18 3kqa s ALA 35 Cb 0.08 -3.64 0.91 0.00 0.00 0.00 0.00 23.12 20.46 3kqa s ALA 35 CO 0.76 -1.05 1.71 0.39 0.00 0.00 0.00 175.76 177.56 3kqa n GLU 36 N 5.81 0.04 -4.34 0.00 1.02 -0.64 -4.16 120.64 118.37 3kqa n GLU 36 Ca 0.14 0.02 -0.19 0.00 -0.02 0.00 0.00 57.16 57.11 3kqa n GLU 36 Cb 0.43 -1.53 -0.10 0.00 -0.02 0.00 0.00 31.44 30.21 3kqa n GLU 36 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3kqa s GLU 37 N -3.02 1.31 0.40 3.49 2.02 -1.25 -4.18 118.70 117.48 3kqa s GLU 37 Ca 0.12 -1.53 -0.23 0.00 0.02 0.00 0.00 54.97 53.35 3kqa s GLU 37 Cb 0.18 -1.16 -0.13 0.00 0.10 0.00 0.00 34.13 33.12 3kqa s GLU 37 CO 0.60 0.20 0.55 -2.30 0.02 0.00 0.00 175.26 174.34 3kqa n PRO 38 N -0.19 0.57 -4.12 0.39 -0.02 -1.26 -4.00 135.00 126.37 3kqa n PRO 38 Ca -0.09 0.21 -0.15 0.00 -2.02 0.00 0.00 63.50 61.45 3kqa n PRO 38 Cb 0.59 -1.49 -0.13 0.00 -0.02 0.00 0.00 33.50 32.46 3kqa n PRO 38 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kqa s VAL 39 N -1.44 0.47 -0.16 -1.45 1.01 0.61 -1.70 120.40 117.74 3kqa s VAL 39 Ca 0.63 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.03 3kqa s VAL 39 Cb -0.62 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.31 3kqa s VAL 39 CO 0.58 -0.09 -0.18 -0.70 0.00 0.00 0.00 175.10 174.71 3kqa s GLU 40 N -0.74 2.67 -0.28 2.72 2.12 0.75 -0.69 118.70 125.26 3kqa s GLU 40 Ca -0.03 -0.71 -0.05 0.00 0.36 0.00 0.00 54.97 54.54 3kqa s GLU 40 Cb -0.05 -2.32 0.01 0.00 0.26 0.00 0.00 34.13 32.03 3kqa s GLU 40 CO 0.00 -0.18 0.03 0.42 -0.54 0.00 0.00 175.26 174.99 3kqa s ILE 41 N 1.28 3.57 0.33 -3.70 1.01 -0.52 -0.73 121.20 122.44 3kqa s ILE 41 Ca 0.02 -0.81 -0.00 0.00 0.00 0.00 0.00 60.65 59.86 3kqa s ILE 41 Cb -0.13 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 3kqa s ILE 41 CO -0.10 0.13 0.55 -1.10 0.00 0.00 0.00 174.94 174.41 3kqa s GLN 42 N 1.44 3.51 -1.25 2.79 -0.21 0.22 -0.14 119.66 126.02 3kqa s GLN 42 Ca 0.02 -0.28 -0.07 0.00 0.02 0.00 0.00 55.36 55.05 3kqa s GLN 42 Cb -0.17 -2.66 0.01 0.00 1.00 0.00 0.00 33.01 31.18 3kqa s GLN 42 CO -0.00 0.16 1.08 -1.71 -2.12 0.00 0.00 175.29 172.70 3kqa n ASN 43 N -1.63 -5.34 -4.64 5.90 5.15 -0.86 -1.38 115.26 112.47 3kqa n ASN 43 Ca -0.04 -0.52 -0.39 0.00 -0.60 0.00 0.00 54.58 53.02 3kqa n ASN 43 Cb 0.56 -4.77 -0.07 0.00 -0.53 0.00 0.00 39.78 34.96 3kqa n ASN 43 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3kqa s VAL 44 N -3.31 5.10 0.78 3.44 1.01 -0.41 -3.67 120.40 123.34 3kqa s VAL 44 Ca 0.45 0.86 -0.13 0.00 0.00 0.00 0.00 61.98 63.15 3kqa s VAL 44 Cb -0.20 -3.81 0.07 0.00 0.00 0.00 0.00 36.38 32.44 3kqa s VAL 44 CO 0.68 0.14 1.18 -2.16 0.00 0.00 0.00 175.10 174.94 3kqa s PRO 45 N 1.97 1.88 -1.03 2.72 0.04 -1.26 -4.76 135.00 134.56 3kqa s PRO 45 Ca 0.21 1.66 -0.13 0.00 0.04 0.00 0.00 61.00 62.78 3kqa s PRO 45 Cb -0.15 -1.81 0.22 0.00 0.04 0.00 0.00 34.50 32.79 3kqa s PRO 45 CO 0.09 -2.01 1.09 0.15 0.04 0.00 0.00 177.00 176.36 3kqa s LYS 46 N -4.17 3.93 0.18 4.56 1.02 -1.26 -4.89 119.74 119.10 3kqa s LYS 46 Ca 0.71 -2.65 0.07 0.00 0.02 0.00 0.00 55.97 54.13 3kqa s LYS 46 Cb -0.27 -4.69 -0.04 0.00 -0.52 0.00 0.00 37.83 32.31 3kqa s LYS 46 CO 0.49 -1.45 -0.15 -0.51 -0.92 0.00 0.00 175.35 172.81 3kqa s LEU 47 N 0.36 2.51 0.22 3.17 1.43 -1.26 -4.92 118.68 120.18 3kqa s LEU 47 Ca 0.30 -0.95 -0.13 0.00 -1.03 0.00 0.00 54.13 52.32 3kqa s LEU 47 Cb -0.08 -0.67 0.26 0.00 0.03 0.00 0.00 46.19 45.72 3kqa s LEU 47 CO -0.07 -0.14 1.61 0.50 0.23 0.00 0.00 176.35 178.48 3kqa h LYS 48 N 2.87 -0.01 0.00 1.70 3.64 -1.86 -0.85 116.57 122.06 3kqa h LYS 48 Ca -0.39 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.97 3kqa h LYS 48 Cb 1.21 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3kqa h LYS 48 CO 0.58 -0.01 -0.09 -0.44 -2.27 0.00 0.00 179.45 177.22 3kqa h ASP 49 N -0.01 0.00 0.03 4.20 3.32 -1.98 0.26 116.42 122.24 3kqa h ASP 49 Ca 0.32 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 3kqa h ASP 49 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3kqa h ASP 49 CO -0.70 0.09 -0.02 0.40 -1.72 0.00 0.00 179.24 177.29 3kqa h ILE 50 N 0.00 1.33 -0.59 0.35 1.08 -1.51 0.14 117.51 118.30 3kqa h ILE 50 Ca -0.00 -1.21 0.02 0.00 -0.39 0.00 0.00 64.86 63.29 3kqa h ILE 50 Cb 0.20 2.13 -0.04 0.00 -3.07 0.00 0.00 36.82 36.04 3kqa h ILE 50 CO 0.01 0.30 0.37 -0.78 -0.69 0.00 0.00 178.15 177.36 3kqa h ASP 51 N -0.58 0.60 -0.86 1.72 -0.00 -0.84 0.56 116.42 117.02 3kqa h ASP 51 Ca -0.00 -0.00 0.05 0.00 -0.00 0.00 0.00 57.03 57.08 3kqa h ASP 51 Cb 0.53 -0.13 -0.06 0.00 -0.00 0.00 0.00 39.33 39.67 3kqa h ASP 51 CO 0.01 0.42 0.54 0.74 -0.00 0.00 0.00 179.24 180.95 3kqa h THR 52 N 0.73 1.08 -0.53 2.25 2.02 -0.45 -1.85 112.91 116.16 3kqa h THR 52 Ca 0.24 -0.35 -0.11 0.00 0.77 0.00 0.00 66.41 66.96 3kqa h THR 52 Cb 0.01 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.37 3kqa h THR 52 CO -0.09 0.18 -0.09 0.74 0.37 0.00 0.00 175.52 176.63 3kqa h THR 53 N 1.01 1.27 -0.46 3.16 2.02 0.32 -2.21 112.91 118.03 3kqa h THR 53 Ca 0.36 -1.23 0.02 0.00 0.77 0.00 0.00 66.41 66.34 3kqa h THR 53 Cb 0.11 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 3kqa h THR 53 CO -0.15 0.43 0.27 0.24 0.37 0.00 0.00 175.52 176.68 3kqa h MET 54 N 0.88 0.52 -0.76 6.66 2.07 -0.22 -0.43 114.93 123.64 3kqa h MET 54 Ca 0.14 -0.03 -0.05 0.00 -2.07 0.00 0.00 59.70 57.69 3kqa h MET 54 Cb 0.64 -0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 30.22 3kqa h MET 54 CO 0.04 0.35 0.28 0.87 1.07 0.00 0.00 176.91 179.52 3kqa h LYS 55 N 0.54 1.16 -0.15 1.72 1.57 -1.24 -0.77 116.57 119.39 3kqa h LYS 55 Ca 0.18 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3kqa h LYS 55 Cb 0.02 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 3kqa h LYS 55 CO -0.09 0.96 0.09 1.25 -0.57 0.00 0.00 179.45 181.09 3kqa h LEU 56 N 1.11 0.19 -0.82 2.94 6.46 -0.99 -1.08 115.31 123.12 3kqa h LEU 56 Ca 0.25 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 3kqa h LEU 56 Cb 0.25 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.10 3kqa h LEU 56 CO -0.02 0.19 0.46 -0.07 -0.62 0.00 0.00 178.44 178.38 3kqa h LEU 57 N 0.17 1.02 -0.89 2.25 3.38 -0.87 -2.51 115.31 117.85 3kqa h LEU 57 Ca 0.05 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3kqa h LEU 57 Cb 0.04 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 3kqa h LEU 57 CO -0.01 0.82 0.45 0.74 0.09 0.00 0.00 178.44 180.53 3kqa h THR 58 N 1.14 1.26 0.00 0.22 2.02 -0.84 0.75 112.91 117.45 3kqa h THR 58 Ca 0.29 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 3kqa h THR 58 Cb 0.02 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.54 3kqa h THR 58 CO -0.05 0.31 -0.01 -0.61 0.37 0.00 0.00 175.52 175.53 3kqa h GLN 59 N 1.24 0.00 -0.01 6.66 5.75 -0.79 -1.41 115.11 126.55 3kqa h GLN 59 Ca 0.30 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.80 3kqa h GLN 59 Cb 0.08 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.63 3kqa h GLN 59 CO -0.04 0.01 -0.25 1.28 -2.65 0.00 0.00 178.83 177.18 3kqa n LEU 60 N -3.16 1.05 0.00 -2.39 4.77 0.22 -4.78 117.00 112.71 3kqa n LEU 60 Ca -0.02 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 3kqa n LEU 60 Cb 0.16 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3kqa n LEU 60 CO 0.23 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3kqa n GLY 61 N 1.33 1.18 3.82 -0.72 0.00 -0.53 -1.94 105.19 108.33 3kqa n GLY 61 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 3kqa n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqa s THR 62 N -2.00 5.17 -0.19 2.61 2.01 -0.99 -3.31 115.64 118.94 3kqa s THR 62 Ca 0.00 0.69 -0.24 0.00 0.31 0.00 0.00 61.69 62.45 3kqa s THR 62 Cb 0.00 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 3kqa s THR 62 CO 0.00 0.54 0.77 -0.54 -0.69 0.00 0.00 174.62 174.70 3kqa s LYS 63 N -0.75 4.24 -0.02 4.92 1.02 0.32 -4.17 119.74 125.31 3kqa s LYS 63 Ca 0.21 0.87 0.02 0.00 0.02 0.00 0.00 55.97 57.09 3kqa s LYS 63 Cb -0.15 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.57 3kqa s LYS 63 CO 0.10 -0.34 -0.07 0.08 -0.92 0.00 0.00 175.35 174.20 3kqa s VAL 64 N 2.22 0.65 0.06 3.17 1.01 -1.26 -1.01 120.40 125.23 3kqa s VAL 64 Ca 0.34 -0.28 -0.21 0.00 0.00 0.00 0.00 61.98 61.83 3kqa s VAL 64 Cb -0.16 -0.59 0.05 0.00 0.00 0.00 0.00 36.38 35.68 3kqa s VAL 64 CO 0.11 0.21 0.49 -1.83 0.00 0.00 0.00 175.10 174.08 3kqa s GLU 65 N 0.24 1.02 0.26 2.72 -1.05 -0.92 -5.01 118.70 115.97 3kqa s GLU 65 Ca -0.03 -0.31 -0.04 0.00 -0.15 0.00 0.00 54.97 54.43 3kqa s GLU 65 Cb -0.08 0.46 -0.02 0.00 -0.44 0.00 0.00 34.13 34.05 3kqa s GLU 65 CO 0.00 -0.37 0.34 -0.98 0.95 0.00 0.00 175.26 175.20 3kqa s ARG 66 N -2.62 1.54 0.00 -4.83 1.70 -1.26 0.57 118.95 114.06 3kqa s ARG 66 Ca -0.04 -1.57 0.00 0.00 -0.47 0.00 0.00 55.73 53.64 3kqa s ARG 66 Cb -0.00 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.76 3kqa s ARG 66 CO -0.03 -0.60 0.00 -0.40 -1.08 0.00 0.00 175.30 173.19 3kqa n ASP 67 N -0.70 0.00 -0.30 -2.89 5.68 -1.26 -4.99 116.55 112.09 3kqa n ASP 67 Ca 0.01 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.41 3kqa n ASP 67 Cb 0.63 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.70 3kqa n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kqa n GLY 68 N 3.44 -0.43 3.71 6.12 0.00 -1.26 -5.19 105.19 111.58 3kqa n GLY 68 Ca 0.00 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 3kqa n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kqa s SER 69 N -2.63 4.47 -0.13 1.61 0.01 -1.26 -1.29 113.70 114.49 3kqa s SER 69 Ca 0.17 -0.92 0.01 0.00 1.31 0.00 0.00 55.95 56.52 3kqa s SER 69 Cb 0.18 -0.60 0.02 0.00 0.21 0.00 0.00 66.02 65.83 3kqa s SER 69 CO 0.63 -0.36 -0.14 -0.69 0.41 0.00 0.00 173.24 173.09 3kqa s VAL 70 N -2.50 1.49 -0.20 3.43 1.01 0.80 -4.31 120.40 120.12 3kqa s VAL 70 Ca 0.38 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 3kqa s VAL 70 Cb 0.00 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 3kqa s VAL 70 CO 0.22 0.44 0.15 0.26 0.00 0.00 0.00 175.10 176.18 3kqa s TRP 71 N 1.28 3.40 -0.06 5.22 0.51 0.19 -1.44 118.94 128.05 3kqa s TRP 71 Ca -0.00 0.35 0.04 0.00 -2.12 0.00 0.00 56.10 54.37 3kqa s TRP 71 Cb -0.14 -2.20 0.00 0.00 -0.81 0.00 0.00 33.47 30.33 3kqa s TRP 71 CO -0.06 0.26 -0.18 0.42 -0.51 0.00 0.00 176.95 176.87 3kqa s ILE 72 N 0.46 1.57 -0.31 2.03 -1.09 0.14 -2.15 121.20 121.84 3kqa s ILE 72 Ca 0.09 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.74 3kqa s ILE 72 Cb -0.12 -1.36 0.10 0.00 -1.58 0.00 0.00 42.46 39.50 3kqa s ILE 72 CO -0.01 0.45 0.08 -0.62 -1.23 0.00 0.00 174.94 173.61 3kqa s ASP 73 N 0.23 4.13 -0.13 3.58 3.68 -0.18 -0.29 116.67 127.69 3kqa s ASP 73 Ca -0.10 -1.69 0.18 0.00 2.13 0.00 0.00 52.55 53.07 3kqa s ASP 73 Cb -0.14 -1.02 0.73 0.00 -1.45 0.00 0.00 42.92 41.04 3kqa s ASP 73 CO 0.04 -0.40 1.64 0.00 0.13 0.00 0.00 175.17 176.59 3kqa n ALA 74 N 4.73 3.19 -0.06 3.66 0.00 -1.26 -0.52 120.51 130.25 3kqa n ALA 74 Ca -0.02 -1.67 0.13 0.00 0.00 0.00 0.00 53.44 51.88 3kqa n ALA 74 Cb 0.42 -1.01 0.52 0.00 0.00 0.00 0.00 19.45 19.38 3kqa n ALA 74 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kqa h SER 75 N 4.00 0.32 -0.25 0.00 4.64 -1.73 -2.64 113.55 117.90 3kqa h SER 75 Ca 0.00 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3kqa h SER 75 Cb 1.53 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.55 3kqa h SER 75 CO 0.27 0.19 -0.00 0.59 -0.87 0.00 0.00 176.83 177.01 3kqa n ASN 76 N -4.46 3.67 -4.68 4.97 5.03 -1.26 -5.01 115.26 113.51 3kqa n ASN 76 Ca 0.09 -3.08 -0.54 0.00 0.87 0.00 0.00 54.58 51.92 3kqa n ASN 76 Cb 0.38 -0.54 -0.06 0.00 -1.02 0.00 0.00 39.78 38.54 3kqa n ASN 76 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3kqa n VAL 77 N -0.63 0.28 -0.99 2.41 0.31 -1.00 -4.80 118.33 113.91 3kqa n VAL 77 Ca 0.22 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 3kqa n VAL 77 Cb 0.89 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 3kqa n VAL 77 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3kqa n ASN 78 N 4.97 0.01 -3.95 4.52 6.94 -0.82 -4.99 115.26 121.94 3kqa n ASN 78 Ca 0.24 -1.01 -0.27 0.00 -0.02 0.00 0.00 54.58 53.52 3kqa n ASN 78 Cb 0.18 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.43 3kqa n ASN 78 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3kqa s ASN 79 N -0.01 2.24 -0.30 0.53 2.47 -1.01 -5.04 114.94 113.83 3kqa s ASN 79 Ca 0.00 -0.35 0.11 0.00 0.42 0.00 0.00 52.86 53.04 3kqa s ASN 79 Cb 0.00 -0.92 0.69 0.00 -1.45 0.00 0.00 41.25 39.57 3kqa s ASN 79 CO 0.00 -0.08 1.71 0.49 -3.72 0.00 0.00 177.10 175.50 3kqa n PHE 80 N 4.71 2.07 -4.51 0.43 3.72 -1.26 -4.56 117.46 118.06 3kqa n PHE 80 Ca -0.15 -1.21 -0.30 0.00 -0.05 0.00 0.00 57.45 55.75 3kqa n PHE 80 Cb 0.50 -0.61 -0.17 0.00 -0.94 0.00 0.00 39.48 38.27 3kqa n PHE 80 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3kqa s SER 81 N -1.36 2.62 -0.44 4.37 0.15 -1.26 -1.18 113.70 116.60 3kqa s SER 81 Ca 0.52 -0.48 -0.14 0.00 0.70 0.00 0.00 55.95 56.55 3kqa s SER 81 Cb 0.42 -1.19 0.05 0.00 -1.71 0.00 0.00 66.02 63.60 3kqa s SER 81 CO 0.11 0.03 0.34 0.00 1.20 0.00 0.00 173.24 174.92 3kqa s ALA 82 N 0.94 3.48 0.61 5.45 0.00 -0.05 -4.86 121.76 127.34 3kqa s ALA 82 Ca -0.07 -1.96 -0.15 0.00 0.00 0.00 0.00 51.96 49.79 3kqa s ALA 82 Cb -0.15 -2.93 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 3kqa s ALA 82 CO -0.02 -1.61 1.06 -1.25 0.00 0.00 0.00 175.76 173.95 3kqa s PRO 83 N 1.63 3.22 0.18 0.00 0.04 -1.26 -0.53 135.00 138.27 3kqa s PRO 83 Ca 0.04 1.18 -0.23 0.00 0.04 0.00 0.00 61.00 62.03 3kqa s PRO 83 Cb -0.22 -2.02 0.08 0.00 0.04 0.00 0.00 34.50 32.38 3kqa s PRO 83 CO 0.07 -0.89 1.58 -0.92 0.04 0.00 0.00 177.00 176.88 3kqa h TYR 84 N 0.24 -1.11 -0.27 0.56 3.20 -1.96 -0.57 116.97 117.06 3kqa h TYR 84 Ca -0.46 0.08 0.08 0.00 3.14 0.00 0.00 58.73 61.56 3kqa h TYR 84 Cb 1.22 0.57 -0.01 0.00 1.54 0.00 0.00 36.73 40.05 3kqa h TYR 84 CO 0.59 -0.40 0.24 0.38 -1.64 0.00 0.00 178.16 177.32 3kqa h ASP 85 N -0.19 0.00 0.71 -2.11 2.03 -2.00 0.20 116.42 115.05 3kqa h ASP 85 Ca 0.21 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.48 3kqa h ASP 85 Cb 0.56 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.05 3kqa h ASP 85 CO -0.70 0.00 -1.32 0.18 -1.03 0.00 0.00 179.24 176.38 3kqa n LEU 86 N -4.06 0.64 -0.01 0.15 4.77 -0.30 -4.46 117.00 113.71 3kqa n LEU 86 Ca 0.04 0.25 0.06 0.00 -0.03 0.00 0.00 56.01 56.33 3kqa n LEU 86 Cb 0.39 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.35 3kqa n LEU 86 CO 0.31 -0.09 -0.71 1.33 -1.33 0.00 0.00 177.39 176.91 3kqa n VAL 87 N -2.61 0.11 -0.37 4.08 0.24 -0.71 -4.73 118.33 114.34 3kqa n VAL 87 Ca -0.03 -0.36 0.34 0.00 -2.04 0.00 0.00 64.34 62.25 3kqa n VAL 87 Cb 0.60 0.07 0.61 0.00 -1.47 0.00 0.00 33.84 33.65 3kqa n VAL 87 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 3kqa n LYS 88 N -2.07 -0.05 0.00 7.34 2.85 0.63 -0.09 118.16 126.78 3kqa n LYS 88 Ca -0.05 1.30 0.13 0.00 -1.05 0.00 0.00 58.31 58.64 3kqa n LYS 88 Cb 0.45 -2.41 0.40 0.00 -0.65 0.00 0.00 35.03 32.81 3kqa n LYS 88 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3kqa n THR 89 N -5.01 0.00 -3.69 0.58 -2.24 -1.26 -4.85 114.28 97.82 3kqa n THR 89 Ca 0.38 -0.13 -0.27 0.00 -2.27 0.00 0.00 64.05 61.76 3kqa n THR 89 Cb 1.35 0.38 -0.17 0.00 -2.10 0.00 0.00 70.33 69.80 3kqa n THR 89 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3kqa s MET 90 N -2.48 0.42 0.27 -0.78 0.00 0.88 -5.00 119.30 112.62 3kqa s MET 90 Ca 0.25 -0.30 -0.02 0.00 0.00 0.00 0.00 55.69 55.62 3kqa s MET 90 Cb 0.19 -2.00 0.42 0.00 0.00 0.00 0.00 34.83 33.44 3kqa s MET 90 CO 0.51 -0.66 1.89 0.00 0.00 0.00 0.00 175.02 176.76 3kqa h ARG 91 N 8.31 1.14 0.00 4.11 2.47 -1.89 -2.29 114.38 126.23 3kqa h ARG 91 Ca -0.16 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.49 3kqa h ARG 91 Cb 1.13 -0.26 0.00 0.00 -1.65 0.00 0.00 29.97 29.19 3kqa h ARG 91 CO 0.32 0.75 0.08 0.00 0.56 0.00 0.00 179.97 181.68 3kqa n ALA 92 N -2.37 0.87 0.32 0.04 0.00 -1.26 -2.15 120.51 115.96 3kqa n ALA 92 Ca 0.15 0.06 0.21 0.00 0.00 0.00 0.00 53.44 53.86 3kqa n ALA 92 Cb 0.17 -0.96 1.11 0.00 0.00 0.00 0.00 19.45 19.77 3kqa n ALA 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kqa h SER 93 N 0.00 0.00 0.28 0.00 4.64 -1.75 -0.16 113.55 116.56 3kqa h SER 93 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kqa h SER 93 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3kqa h SER 93 CO 0.00 0.00 0.00 -0.29 -0.87 0.00 0.00 176.83 175.67 3kqa h ILE 94 N 0.00 0.00 0.00 0.95 6.09 -1.70 -2.00 117.51 120.85 3kqa h ILE 94 Ca 0.00 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.36 3kqa h ILE 94 Cb 0.08 0.96 0.00 0.00 0.47 0.00 0.00 36.82 38.33 3kqa h ILE 94 CO 0.00 0.00 0.00 0.79 -3.07 0.00 0.00 178.15 175.87 3kqa n TRP 95 N -2.78 0.00 0.14 2.19 8.01 -0.07 -1.69 117.44 123.24 3kqa n TRP 95 Ca -0.01 0.00 0.05 0.00 -1.31 0.00 0.00 57.50 56.23 3kqa n TRP 95 Cb 0.13 -0.36 0.05 0.00 -2.01 0.00 0.00 31.31 29.11 3kqa n TRP 95 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3kqa h ALA 96 N 2.50 0.74 0.29 6.99 0.00 -1.58 -3.37 119.26 124.83 3kqa h ALA 96 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3kqa h ALA 96 Cb 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3kqa h ALA 96 CO 0.00 0.46 -0.16 1.25 0.00 0.00 0.00 179.25 180.80 3kqa h LEU 97 N 0.00 -0.39 -0.19 0.00 5.85 -1.53 -2.66 115.31 116.39 3kqa h LEU 97 Ca -0.02 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3kqa h LEU 97 Cb 1.29 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.39 3kqa h LEU 97 CO 0.04 -0.26 -0.06 1.23 -0.34 0.00 0.00 178.44 179.05 3kqa h GLY 98 N -0.42 0.12 1.00 3.75 0.00 -1.75 -1.59 103.07 104.18 3kqa h GLY 98 Ca -0.03 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 3kqa h GLY 98 CO 0.05 -0.09 0.41 -2.55 0.00 0.00 0.00 176.54 174.36 3kqa h PRO 99 N -0.02 0.98 0.31 4.80 0.11 -1.75 -0.22 132.00 136.21 3kqa h PRO 99 Ca 0.10 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 3kqa h PRO 99 Cb 0.17 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 3kqa h PRO 99 CO -0.21 0.72 -0.17 -0.07 -0.21 0.00 0.00 178.00 178.06 3kqa h LEU 100 N 0.98 -0.41 -0.88 2.35 3.38 -1.15 -0.29 115.31 119.28 3kqa h LEU 100 Ca 0.25 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 3kqa h LEU 100 Cb 0.00 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3kqa h LEU 100 CO -0.04 -0.28 0.07 1.62 0.09 0.00 0.00 178.44 179.90 3kqa h VAL 101 N -0.44 1.24 -0.53 1.22 3.04 -1.21 0.44 116.25 120.01 3kqa h VAL 101 Ca -0.04 -0.97 -0.08 0.00 -1.01 0.00 0.00 66.70 64.61 3kqa h VAL 101 Cb 0.36 0.75 -0.02 0.00 -2.01 0.00 0.00 31.29 30.37 3kqa h VAL 101 CO 0.05 0.35 0.03 0.00 -1.01 0.00 0.00 177.57 176.99 3kqa h ALA 102 N 1.23 1.04 0.04 3.17 0.00 -0.76 0.16 119.26 124.13 3kqa h ALA 102 Ca 0.17 -0.27 -0.35 0.00 0.00 0.00 0.00 54.91 54.46 3kqa h ALA 102 Cb 0.41 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3kqa h ALA 102 CO 0.01 0.60 -2.10 -2.13 0.00 0.00 0.00 179.25 175.64 3kqa n ARG 103 N -4.21 0.68 0.00 0.00 0.63 -0.14 -4.55 116.66 109.07 3kqa n ARG 103 Ca 0.03 0.19 0.05 0.00 -0.92 0.00 0.00 57.85 57.20 3kqa n ARG 103 Cb 0.30 -1.65 -0.00 0.00 0.45 0.00 0.00 32.46 31.56 3kqa n ARG 103 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3kqa n PHE 104 N -3.15 0.00 -0.95 -0.14 3.01 0.15 -4.98 117.46 111.40 3kqa n PHE 104 Ca -0.31 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.15 3kqa n PHE 104 Cb 1.06 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.53 3kqa n PHE 104 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kqa n GLY 105 N 0.91 0.62 3.50 1.37 0.00 0.55 -4.96 105.19 107.18 3kqa n GLY 105 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 3kqa n GLY 105 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kqa s GLN 106 N -0.27 1.09 -0.23 1.61 -2.07 -1.25 -1.43 119.66 117.11 3kqa s GLN 106 Ca 0.00 0.13 -0.30 0.00 -1.82 0.00 0.00 55.36 53.37 3kqa s GLN 106 Cb 0.00 0.51 0.16 0.00 -1.09 0.00 0.00 33.01 32.60 3kqa s GLN 106 CO 0.00 -0.37 1.21 0.20 -1.32 0.00 0.00 175.29 175.02 3kqa s GLY 107 N -1.45 -0.07 -0.11 2.60 0.00 -0.33 -3.64 107.32 104.31 3kqa s GLY 107 Ca -0.09 2.45 -0.07 0.00 0.00 0.00 0.00 44.72 47.00 3kqa s GLY 107 CO 0.06 1.04 0.28 -0.86 0.00 0.00 0.00 173.10 173.62 3kqa s GLN 108 N -1.14 0.28 -0.08 2.90 -2.07 -0.32 -0.33 119.66 118.89 3kqa s GLN 108 Ca 0.05 0.51 0.04 0.00 -1.82 0.00 0.00 55.36 54.14 3kqa s GLN 108 Cb -0.01 -0.00 0.00 0.00 -1.09 0.00 0.00 33.01 31.91 3kqa s GLN 108 CO -0.04 -0.12 -0.19 0.08 -1.32 0.00 0.00 175.29 173.70 3kqa s VAL 109 N 0.86 1.67 0.20 3.63 1.01 -0.65 -0.87 120.40 126.25 3kqa s VAL 109 Ca -0.06 -0.81 -0.31 0.00 0.00 0.00 0.00 61.98 60.80 3kqa s VAL 109 Cb -0.07 -1.46 -0.11 0.00 0.00 0.00 0.00 36.38 34.75 3kqa s VAL 109 CO -0.06 0.47 1.61 -0.55 0.00 0.00 0.00 175.10 176.58 3kqa s SER 110 N 0.36 6.50 -0.06 3.32 0.15 0.31 -1.11 113.70 123.16 3kqa s SER 110 Ca -0.14 2.74 0.01 0.00 0.70 0.00 0.00 55.95 59.26 3kqa s SER 110 Cb -0.16 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.57 3kqa s SER 110 CO 0.06 -0.87 -0.06 -0.22 1.20 0.00 0.00 173.24 173.34 3kqa s LEU 111 N 0.87 1.31 0.62 3.45 0.20 -0.23 -4.87 118.68 120.02 3kqa s LEU 111 Ca 0.70 -0.19 -0.12 0.00 0.69 0.00 0.00 54.13 55.20 3kqa s LEU 111 Cb -0.46 -0.60 -0.03 0.00 -0.43 0.00 0.00 46.19 44.66 3kqa s LEU 111 CO 0.34 -0.06 1.03 -2.16 -0.29 0.00 0.00 176.35 175.22 3kqa s PRO 112 N 1.08 3.46 0.00 0.98 0.04 -1.26 -4.18 135.00 135.11 3kqa s PRO 112 Ca -0.08 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.85 3kqa s PRO 112 Cb -0.14 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3kqa s PRO 112 CO -0.01 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.76 3kqa n GLY 113 N -2.15 0.86 5.45 0.56 0.00 -1.26 -5.14 105.19 103.51 3kqa n GLY 113 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3kqa n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqa n GLY 114 N -2.00 0.21 0.00 -0.02 0.00 -1.26 -5.13 105.19 96.99 3kqa n GLY 114 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3kqa n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa n ALA 116 N 2.26 0.00 -0.04 4.61 0.00 -1.26 -5.09 120.51 121.00 3kqa n ALA 116 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3kqa n ALA 116 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3kqa n ALA 116 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3kqa h ILE 117 N 1.34 1.41 -3.76 0.00 1.08 -2.07 -3.46 117.51 112.06 3kqa h ILE 117 Ca 0.00 -1.55 -0.56 0.00 -0.39 0.00 0.00 64.86 62.37 3kqa h ILE 117 Cb 0.00 2.20 0.13 0.00 -3.07 0.00 0.00 36.82 36.08 3kqa h ILE 117 CO 0.00 0.44 0.54 0.61 -0.69 0.00 0.00 178.15 179.06 3kqa n GLY 118 N 0.51 0.65 3.76 5.37 0.00 -1.26 -4.95 105.19 109.28 3kqa n GLY 118 Ca -0.08 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3kqa n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa s ALA 119 N -1.24 3.56 0.12 4.61 0.00 -1.26 -5.03 121.76 122.53 3kqa s ALA 119 Ca 0.64 1.34 0.03 0.00 0.00 0.00 0.00 51.96 53.98 3kqa s ALA 119 Cb -0.47 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.08 3kqa s ALA 119 CO 0.55 -0.75 -0.09 1.03 0.00 0.00 0.00 175.76 176.50 3kqa s ARG 120 N -1.26 0.94 0.36 0.00 0.52 -1.26 -5.04 118.95 113.20 3kqa s ARG 120 Ca 0.54 -1.35 0.10 0.00 -0.52 0.00 0.00 55.73 54.51 3kqa s ARG 120 Cb -0.42 -0.47 0.86 0.00 0.52 0.00 0.00 34.95 35.44 3kqa s ARG 120 CO 0.51 0.05 1.86 -1.00 0.02 0.00 0.00 175.30 176.74 3kqa h PRO 121 N 3.02 0.62 -0.87 3.54 0.13 -2.04 -1.88 132.00 134.52 3kqa h PRO 121 Ca -0.36 -0.04 0.06 0.00 -0.87 0.00 0.00 66.00 64.79 3kqa h PRO 121 Cb 1.18 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 32.12 3kqa h PRO 121 CO 0.61 0.41 0.57 0.28 -0.23 0.00 0.00 178.00 179.64 3kqa h VAL 122 N 0.64 1.08 -0.83 1.56 2.07 -2.00 -3.04 116.25 115.73 3kqa h VAL 122 Ca 0.46 -0.34 0.13 0.00 0.82 0.00 0.00 66.70 67.76 3kqa h VAL 122 Cb 0.81 -0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 3kqa h VAL 122 CO -0.21 0.18 0.54 0.44 0.02 0.00 0.00 177.57 178.54 3kqa h ASP 123 N 1.00 0.59 -0.95 0.57 3.32 -1.75 -1.17 116.42 118.02 3kqa h ASP 123 Ca 0.36 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.47 3kqa h ASP 123 Cb 0.16 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 3kqa h ASP 123 CO -0.13 0.32 0.63 -0.07 -1.72 0.00 0.00 179.24 178.27 3kqa h LEU 124 N 0.64 1.07 -0.50 1.55 3.38 -1.68 0.32 115.31 120.08 3kqa h LEU 124 Ca 0.40 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.28 3kqa h LEU 124 Cb 0.66 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3kqa h LEU 124 CO -0.16 0.75 0.02 0.45 0.09 0.00 0.00 178.44 179.59 3kqa h HIS 125 N 1.25 0.94 -0.27 1.13 3.86 -1.39 -1.92 115.15 118.75 3kqa h HIS 125 Ca 0.36 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 3kqa h HIS 125 Cb -0.08 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.13 3kqa h HIS 125 CO -0.00 0.88 0.13 0.82 0.86 0.00 0.00 177.93 180.62 3kqa h ILE 126 N 0.73 1.14 -0.64 2.45 2.04 -0.85 -2.34 117.51 120.04 3kqa h ILE 126 Ca 0.14 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 3kqa h ILE 126 Cb 0.49 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 3kqa h ILE 126 CO 0.02 0.14 0.25 -0.26 0.00 0.00 0.00 178.15 178.31 3kqa h PHE 127 N 0.30 0.95 -0.70 1.37 0.04 -0.33 -0.51 116.94 118.05 3kqa h PHE 127 Ca 0.09 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 3kqa h PHE 127 Cb 0.11 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 37.94 3kqa h PHE 127 CO -0.02 0.73 0.33 0.78 -0.60 0.00 0.00 178.31 179.52 3kqa h GLY 128 N 1.02 1.09 2.00 -1.45 0.00 -1.11 0.15 103.07 104.77 3kqa h GLY 128 Ca 0.22 -0.55 -0.14 0.00 0.00 0.00 0.00 47.33 46.86 3kqa h GLY 128 CO -0.02 0.52 -0.67 1.41 0.00 0.00 0.00 176.54 177.78 3kqa h LEU 129 N 0.98 0.00 -0.42 3.11 3.38 -0.94 -2.50 115.31 118.93 3kqa h LEU 129 Ca 0.24 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 3kqa h LEU 129 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3kqa h LEU 129 CO -0.03 0.67 -0.12 -0.33 0.09 0.00 0.00 178.44 178.73 3kqa h GLU 130 N 0.00 0.82 -0.50 1.13 5.08 -0.55 -1.13 114.58 119.43 3kqa h GLU 130 Ca -0.01 -0.32 0.03 0.00 -1.00 0.00 0.00 59.36 58.06 3kqa h GLU 130 Cb 1.23 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 3kqa h GLU 130 CO 0.09 0.95 0.33 -0.22 -1.00 0.00 0.00 179.01 179.16 3kqa h LYS 131 N 0.64 0.57 -0.01 2.33 3.11 -0.47 0.14 116.57 122.87 3kqa h LYS 131 Ca 0.10 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.91 3kqa h LYS 131 Cb 0.66 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.76 3kqa h LYS 131 CO 0.04 0.38 0.00 1.28 -2.81 0.00 0.00 179.45 178.34 3kqa n LEU 132 N -4.47 0.14 0.00 5.20 4.77 -0.83 -4.75 117.00 117.07 3kqa n LEU 132 Ca 0.05 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3kqa n LEU 132 Cb 0.13 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3kqa n LEU 132 CO 0.35 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3kqa n GLY 133 N 0.89 0.91 3.87 -0.72 0.00 0.04 -0.33 105.19 109.86 3kqa n GLY 133 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3kqa n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa s ALA 134 N -2.00 3.43 -0.19 4.61 0.00 -0.49 -4.82 121.76 122.29 3kqa s ALA 134 Ca 0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 51.96 51.64 3kqa s ALA 134 Cb 0.00 -2.60 -0.05 0.00 0.00 0.00 0.00 23.12 20.47 3kqa s ALA 134 CO 0.00 0.20 0.12 -1.21 0.00 0.00 0.00 175.76 174.87 3kqa s GLU 135 N -3.43 4.11 0.08 0.00 2.02 0.15 -4.32 118.70 117.31 3kqa s GLU 135 Ca 0.50 -0.24 0.06 0.00 0.02 0.00 0.00 54.97 55.31 3kqa s GLU 135 Cb -0.10 -3.37 -0.03 0.00 0.10 0.00 0.00 34.13 30.72 3kqa s GLU 135 CO 0.26 0.32 -0.17 0.42 0.02 0.00 0.00 175.26 176.11 3kqa s ILE 136 N 0.29 1.34 0.14 -1.63 1.01 -1.26 -1.70 121.20 119.39 3kqa s ILE 136 Ca 0.07 -1.37 -0.20 0.00 0.00 0.00 0.00 60.65 59.16 3kqa s ILE 136 Cb -0.11 -1.25 0.05 0.00 0.01 0.00 0.00 42.46 41.16 3kqa s ILE 136 CO -0.01 -0.14 0.51 -1.59 0.00 0.00 0.00 174.94 173.71 3kqa s LYS 137 N -1.75 1.17 -0.20 2.79 -2.85 -0.80 -5.00 119.74 113.11 3kqa s LYS 137 Ca 0.01 -0.55 -0.05 0.00 -1.00 0.00 0.00 55.97 54.38 3kqa s LYS 137 Cb -0.10 0.53 -0.02 0.00 -2.06 0.00 0.00 37.83 36.18 3kqa s LYS 137 CO 0.03 -0.48 0.00 -0.51 0.10 0.00 0.00 175.35 174.49 3kqa s LEU 138 N -2.71 3.28 -0.17 2.77 1.02 -1.26 -0.17 118.68 121.44 3kqa s LEU 138 Ca 0.01 -0.19 -0.28 0.00 0.02 0.00 0.00 54.13 53.69 3kqa s LEU 138 Cb 0.00 -1.83 0.09 0.00 0.02 0.00 0.00 46.19 44.47 3kqa s LEU 138 CO -0.12 0.07 0.79 -1.83 0.02 0.00 0.00 176.35 175.28 3kqa s GLU 139 N 0.97 0.84 -1.60 1.70 -1.05 -0.27 -4.94 118.70 114.35 3kqa s GLU 139 Ca 0.02 0.55 -0.12 0.00 -0.15 0.00 0.00 54.97 55.27 3kqa s GLU 139 Cb -0.14 0.40 0.10 0.00 -0.44 0.00 0.00 34.13 34.05 3kqa s GLU 139 CO 0.02 -0.19 0.64 -0.85 0.95 0.00 0.00 175.26 175.83 3kqa n GLU 140 N 1.68 -3.20 -0.97 -4.83 0.28 -1.26 -1.22 120.64 111.12 3kqa n GLU 140 Ca -0.15 0.38 0.00 0.00 -0.16 0.00 0.00 57.16 57.23 3kqa n GLU 140 Cb 0.56 -4.86 0.00 0.00 1.43 0.00 0.00 31.44 28.57 3kqa n GLU 140 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kqa n GLY 141 N -1.65 0.47 3.45 -1.84 0.00 -1.26 -5.03 105.19 99.33 3kqa n GLY 141 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 3kqa n GLY 141 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqa s TYR 142 N -2.13 2.30 -0.21 1.61 1.51 -0.36 -1.07 117.35 119.00 3kqa s TYR 142 Ca 0.00 -0.34 -0.08 0.00 -1.01 0.00 0.00 57.07 55.64 3kqa s TYR 142 Cb 0.00 -1.06 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 3kqa s TYR 142 CO 0.00 0.61 0.08 0.54 -1.11 0.00 0.00 175.55 175.68 3kqa s VAL 143 N -2.11 4.74 -0.14 0.71 0.11 -0.27 -1.12 120.40 122.34 3kqa s VAL 143 Ca 0.26 -0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.29 3kqa s VAL 143 Cb -0.06 -3.18 0.00 0.00 -1.53 0.00 0.00 36.38 31.61 3kqa s VAL 143 CO 0.13 0.40 -0.20 -0.54 -3.33 0.00 0.00 175.10 171.55 3kqa s LYS 144 N 0.91 3.11 0.03 1.54 1.02 0.77 -1.64 119.74 125.48 3kqa s LYS 144 Ca 0.04 -0.82 0.08 0.00 0.02 0.00 0.00 55.97 55.30 3kqa s LYS 144 Cb -0.14 -2.48 -0.03 0.00 -0.52 0.00 0.00 37.83 34.67 3kqa s LYS 144 CO 0.03 0.05 -0.22 0.00 -0.92 0.00 0.00 175.35 174.29 3kqa s ALA 145 N 0.69 2.41 0.11 5.17 0.00 0.55 -1.91 121.76 128.78 3kqa s ALA 145 Ca -0.09 -1.20 -0.15 0.00 0.00 0.00 0.00 51.96 50.52 3kqa s ALA 145 Cb -0.16 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.36 3kqa s ALA 145 CO 0.01 0.55 0.37 -1.54 0.00 0.00 0.00 175.76 175.15 3kqa s SER 146 N -1.20 -0.18 -0.26 0.00 1.04 -0.69 -1.19 113.70 111.23 3kqa s SER 146 Ca 0.13 -0.34 -0.19 0.00 0.48 0.00 0.00 55.95 56.02 3kqa s SER 146 Cb -0.10 0.45 0.07 0.00 0.10 0.00 0.00 66.02 66.54 3kqa s SER 146 CO 0.03 -0.82 0.66 0.54 0.98 0.00 0.00 173.24 174.63 3kqa s VAL 147 N -3.70 -0.00 -0.10 5.02 0.11 -0.51 0.31 120.40 121.52 3kqa s VAL 147 Ca 0.03 0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.79 3kqa s VAL 147 Cb 0.02 -0.94 -0.02 0.00 -1.53 0.00 0.00 36.38 33.91 3kqa s VAL 147 CO -0.11 0.00 1.24 0.21 -3.33 0.00 0.00 175.10 173.11 3kqa s ASN 148 N 1.02 7.00 0.62 3.54 3.04 -1.26 -4.68 114.94 124.21 3kqa s ASN 148 Ca -0.05 1.77 0.00 0.00 0.04 0.00 0.00 52.86 54.62 3kqa s ASN 148 Cb -0.05 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 37.11 3kqa s ASN 148 CO -0.10 -0.67 0.00 0.61 -3.04 0.00 0.00 177.10 173.91 3kqa n GLY 149 N 3.49 1.67 3.88 1.21 0.00 -1.26 -4.83 105.19 109.35 3kqa n GLY 149 Ca 0.12 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 3kqa n GLY 149 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kqa s ARG 150 N 0.00 3.71 1.00 1.61 3.52 -1.26 -4.67 118.95 122.86 3kqa s ARG 150 Ca 0.00 0.36 -0.13 0.00 -0.13 0.00 0.00 55.73 55.83 3kqa s ARG 150 Cb 0.00 -2.41 0.19 0.00 -1.56 0.00 0.00 34.95 31.16 3kqa s ARG 150 CO 0.00 -0.05 1.11 -0.51 -0.81 0.00 0.00 175.30 175.04 3kqa s LEU 151 N -4.01 1.61 -0.09 -0.88 1.43 -1.26 -4.86 118.68 110.61 3kqa s LEU 151 Ca 0.50 1.05 0.02 0.00 -1.03 0.00 0.00 54.13 54.66 3kqa s LEU 151 Cb -0.10 -3.21 0.02 0.00 0.03 0.00 0.00 46.19 42.92 3kqa s LEU 151 CO 0.34 -3.09 -0.13 -0.75 0.23 0.00 0.00 176.35 172.95 3kqa s LYS 152 N -5.10 1.90 0.37 1.70 2.20 0.56 -1.44 119.74 119.92 3kqa s LYS 152 Ca 0.66 -0.45 -0.28 0.00 -0.36 0.00 0.00 55.97 55.54 3kqa s LYS 152 Cb -0.17 -1.65 -0.11 0.00 -1.51 0.00 0.00 37.83 34.39 3kqa s LYS 152 CO 0.56 -0.06 1.34 0.41 -0.36 0.00 0.00 175.35 177.24 3kqa n GLY 153 N 4.18 0.75 3.23 5.54 0.00 -0.56 -4.52 105.19 113.81 3kqa n GLY 153 Ca -0.19 0.29 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 3kqa n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa s ALA 154 N -1.12 0.36 -0.43 4.61 0.00 -1.12 -4.74 121.76 119.33 3kqa s ALA 154 Ca 0.56 -1.12 -0.20 0.00 0.00 0.00 0.00 51.96 51.20 3kqa s ALA 154 Cb -0.53 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.39 3kqa s ALA 154 CO 0.62 -0.55 0.57 -1.58 0.00 0.00 0.00 175.76 174.82 3kqa s HIS 155 N -3.99 3.10 -0.14 0.00 2.46 -1.26 -1.12 115.29 114.35 3kqa s HIS 155 Ca 0.18 -0.14 -0.03 0.00 0.47 0.00 0.00 55.06 55.54 3kqa s HIS 155 Cb 0.05 -3.19 -0.03 0.00 -0.13 0.00 0.00 32.58 29.29 3kqa s HIS 155 CO -0.01 -0.80 -0.02 0.42 -2.47 0.00 0.00 174.74 171.86 3kqa s ILE 156 N 2.59 4.08 -0.25 0.89 1.01 0.32 -4.93 121.20 124.91 3kqa s ILE 156 Ca 0.19 -0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.53 3kqa s ILE 156 Cb -0.15 -2.77 0.03 0.00 0.01 0.00 0.00 42.46 39.58 3kqa s ILE 156 CO 0.17 0.52 -0.06 -0.69 0.00 0.00 0.00 174.94 174.88 3kqa s VAL 157 N 0.01 2.85 -0.14 2.92 1.01 -1.26 0.14 120.40 125.92 3kqa s VAL 157 Ca 0.02 -1.08 -0.29 0.00 0.00 0.00 0.00 61.98 60.63 3kqa s VAL 157 Cb -0.13 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 3kqa s VAL 157 CO 0.02 0.17 0.99 -0.32 0.00 0.00 0.00 175.10 175.96 3kqa s MET 158 N 1.31 4.36 0.15 2.72 1.75 -0.70 -4.95 119.30 123.95 3kqa s MET 158 Ca -0.01 1.32 -0.14 0.00 -1.25 0.00 0.00 55.69 55.61 3kqa s MET 158 Cb -0.17 -3.57 0.03 0.00 2.84 0.00 0.00 34.83 33.96 3kqa s MET 158 CO -0.04 -0.39 1.74 0.38 -0.65 0.00 0.00 175.02 176.05 3kqa h ASP 159 N 7.22 0.63 -4.71 1.11 3.04 -1.91 -3.44 116.42 118.36 3kqa h ASP 159 Ca -0.28 -0.13 -0.24 0.00 -3.24 0.00 0.00 57.03 53.14 3kqa h ASP 159 Cb 1.12 -0.16 -0.22 0.00 -1.04 0.00 0.00 39.33 39.03 3kqa h ASP 159 CO 0.88 0.58 -0.72 -0.75 -2.04 0.00 0.00 179.24 177.19 3kqa s LYS 160 N -5.71 0.43 0.21 4.15 2.20 -1.26 -5.11 119.74 114.64 3kqa s LYS 160 Ca -0.13 -0.63 -0.31 0.00 -0.36 0.00 0.00 55.97 54.54 3kqa s LYS 160 Cb 0.11 -0.17 -0.10 0.00 -1.51 0.00 0.00 37.83 36.16 3kqa s LYS 160 CO 0.76 0.02 1.56 0.08 -0.36 0.00 0.00 175.35 177.41 3kqa s VAL 161 N -1.24 2.48 -0.12 4.02 1.01 -1.26 -4.99 120.40 120.30 3kqa s VAL 161 Ca -0.10 0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 3kqa s VAL 161 Cb -0.09 -3.23 0.06 0.00 0.00 0.00 0.00 36.38 33.12 3kqa s VAL 161 CO -0.00 0.04 0.15 -0.55 0.00 0.00 0.00 175.10 174.74 3kqa s SER 162 N 0.87 1.27 0.11 3.32 0.15 -1.26 -5.01 113.70 113.15 3kqa s SER 162 Ca 0.67 -0.02 -0.17 0.00 0.70 0.00 0.00 55.95 57.13 3kqa s SER 162 Cb -0.45 0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 63.96 3kqa s SER 162 CO 0.37 -0.29 1.59 0.58 1.20 0.00 0.00 173.24 176.69 3kqa h VAL 163 N 6.37 1.23 -0.17 4.45 2.07 -1.96 -1.99 116.25 126.25 3kqa h VAL 163 Ca -0.14 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.58 3kqa h VAL 163 Cb 1.13 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 3kqa h VAL 163 CO 0.21 0.27 0.11 1.23 0.02 0.00 0.00 177.57 179.40 3kqa h GLY 164 N 0.38 0.25 1.76 2.17 0.00 -2.00 -2.29 103.07 103.34 3kqa h GLY 164 Ca 0.10 -0.10 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 3kqa h GLY 164 CO 0.00 0.09 -0.57 0.00 0.00 0.00 0.00 176.54 176.07 3kqa h ALA 165 N 1.05 0.88 -0.60 3.60 0.00 -1.90 -2.43 119.26 119.86 3kqa h ALA 165 Ca 0.06 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3kqa h ALA 165 Cb -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3kqa h ALA 165 CO -0.01 0.70 0.39 1.15 0.00 0.00 0.00 179.25 181.48 3kqa h THR 166 N 0.20 1.16 -0.23 0.00 2.02 -1.18 -0.13 112.91 114.75 3kqa h THR 166 Ca -0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 3kqa h THR 166 Cb 1.06 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3kqa h THR 166 CO 0.09 0.16 0.15 0.58 0.37 0.00 0.00 175.52 176.87 3kqa h VAL 167 N 0.82 1.07 -0.26 3.16 2.07 -1.23 0.81 116.25 122.70 3kqa h VAL 167 Ca 0.22 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 3kqa h VAL 167 Cb -0.07 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3kqa h VAL 167 CO -0.05 0.07 0.16 0.74 0.02 0.00 0.00 177.57 178.51 3kqa h THR 168 N 0.31 1.09 -0.01 2.57 2.02 -1.04 0.22 112.91 118.06 3kqa h THR 168 Ca 0.09 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 3kqa h THR 168 Cb -0.01 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 3kqa h THR 168 CO -0.02 0.09 -0.00 0.40 0.37 0.00 0.00 175.52 176.36 3kqa h ILE 169 N 0.33 1.27 -0.45 3.11 2.04 -0.92 -1.58 117.51 121.29 3kqa h ILE 169 Ca 0.09 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.17 3kqa h ILE 169 Cb 0.01 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 3kqa h ILE 169 CO -0.02 0.21 0.29 -0.03 0.00 0.00 0.00 178.15 178.60 3kqa h MET 170 N -0.30 0.57 0.65 2.37 4.05 -0.70 0.30 114.93 121.87 3kqa h MET 170 Ca 0.00 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.36 3kqa h MET 170 Cb 0.34 -0.13 0.01 0.00 -0.80 0.00 0.00 31.60 31.02 3kqa h MET 170 CO 0.00 0.37 -0.31 0.77 0.23 0.00 0.00 176.91 177.97 3kqa h SER 171 N 0.58 -0.74 -0.66 1.39 0.02 -0.57 -2.81 113.55 110.77 3kqa h SER 171 Ca 0.17 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.15 3kqa h SER 171 Cb -0.03 0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 3kqa h SER 171 CO -0.06 -0.52 0.44 0.00 -1.14 0.00 0.00 176.83 175.55 3kqa h ALA 172 N -0.53 1.54 -0.48 3.77 0.00 -1.19 -2.68 119.26 119.68 3kqa h ALA 172 Ca -0.09 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3kqa h ALA 172 Cb 0.67 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3kqa h ALA 172 CO 0.15 0.43 0.32 0.00 0.00 0.00 0.00 179.25 180.15 3kqa h ALA 173 N 1.59 1.77 -0.07 0.00 0.00 -0.15 -2.80 119.26 119.60 3kqa h ALA 173 Ca 0.24 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3kqa h ALA 173 Cb -0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3kqa h ALA 173 CO -0.05 0.18 0.29 1.79 0.00 0.00 0.00 179.25 181.45 3kqa h THR 174 N 0.55 0.09 -0.24 0.00 1.35 -1.26 0.12 112.91 113.53 3kqa h THR 174 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.05 3kqa h THR 174 Cb 0.09 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 3kqa h THR 174 CO -0.05 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.40 3kqa n LEU 175 N -3.10 2.80 -4.85 3.87 4.77 -1.06 -1.22 117.00 118.21 3kqa n LEU 175 Ca -0.01 -2.16 -0.32 0.00 -0.03 0.00 0.00 56.01 53.49 3kqa n LEU 175 Cb 0.36 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 3kqa n LEU 175 CO 0.17 0.67 0.70 0.00 -1.33 0.00 0.00 177.39 177.60 3kqa s ALA 176 N -1.29 3.07 -0.36 -1.18 0.00 0.43 -4.52 121.76 117.91 3kqa s ALA 176 Ca 0.20 0.06 -0.23 0.00 0.00 0.00 0.00 51.96 51.99 3kqa s ALA 176 Cb 0.12 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 20.15 3kqa s ALA 176 CO 0.11 -0.48 0.78 -2.00 0.00 0.00 0.00 175.76 174.17 3kqa s GLU 177 N -4.61 3.77 0.00 0.00 2.12 -0.52 -3.68 118.70 115.78 3kqa s GLU 177 Ca 0.57 0.33 0.00 0.00 0.36 0.00 0.00 54.97 56.23 3kqa s GLU 177 Cb -0.11 -3.80 0.00 0.00 0.26 0.00 0.00 34.13 30.48 3kqa s GLU 177 CO 0.43 -0.83 0.00 0.41 -0.54 0.00 0.00 175.26 174.72 3kqa n GLY 178 N 4.50 -1.62 3.89 -1.50 0.00 -1.26 -1.50 105.19 107.70 3kqa n GLY 178 Ca 0.03 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 3kqa n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqa s THR 179 N 0.00 5.44 -0.02 2.61 2.01 -1.26 -1.06 115.64 123.35 3kqa s THR 179 Ca 0.00 0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.12 3kqa s THR 179 Cb 0.00 -3.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 3kqa s THR 179 CO 0.00 0.45 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.26 3kqa s THR 180 N -1.20 1.86 -0.09 -0.82 2.01 0.03 -2.78 115.64 114.66 3kqa s THR 180 Ca 0.22 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 61.23 3kqa s THR 180 Cb -0.13 -1.55 0.02 0.00 0.01 0.00 0.00 72.50 70.85 3kqa s THR 180 CO 0.12 0.53 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.86 3kqa s ILE 181 N -0.47 1.02 -0.37 1.82 1.01 -0.28 -0.76 121.20 123.18 3kqa s ILE 181 Ca 0.07 -0.35 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 3kqa s ILE 181 Cb -0.10 -0.99 0.04 0.00 0.01 0.00 0.00 42.46 41.42 3kqa s ILE 181 CO -0.00 0.35 0.18 -0.63 0.00 0.00 0.00 174.94 174.83 3kqa s ILE 182 N 1.18 4.23 0.23 2.92 1.01 -0.17 0.12 121.20 130.72 3kqa s ILE 182 Ca -0.05 -1.04 -0.15 0.00 0.00 0.00 0.00 60.65 59.41 3kqa s ILE 182 Cb -0.14 -3.41 -0.08 0.00 0.01 0.00 0.00 42.46 38.84 3kqa s ILE 182 CO -0.02 -0.26 0.64 -1.61 0.00 0.00 0.00 174.94 173.69 3kqa s GLU 183 N 1.48 4.01 -1.43 2.79 0.41 0.12 -1.97 118.70 124.11 3kqa s GLU 183 Ca 0.01 0.57 -0.10 0.00 -0.41 0.00 0.00 54.97 55.04 3kqa s GLU 183 Cb -0.20 -2.72 0.04 0.00 -1.78 0.00 0.00 34.13 29.47 3kqa s GLU 183 CO 0.05 0.34 1.05 -1.71 -0.49 0.00 0.00 175.26 174.50 3kqa n ASN 184 N 0.26 -5.06 -4.77 -0.19 4.05 0.41 -1.72 115.26 108.24 3kqa n ASN 184 Ca -0.01 -0.67 -0.33 0.00 0.45 0.00 0.00 54.58 54.02 3kqa n ASN 184 Cb 0.52 -4.45 0.06 0.00 1.23 0.00 0.00 39.78 37.14 3kqa n ASN 184 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3kqa s ALA 185 N -3.34 2.42 0.40 5.20 0.00 0.73 -4.49 121.76 122.67 3kqa s ALA 185 Ca 0.55 0.49 -0.26 0.00 0.00 0.00 0.00 51.96 52.73 3kqa s ALA 185 Cb -0.26 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.46 3kqa s ALA 185 CO 0.78 -1.39 1.30 0.00 0.00 0.00 0.00 175.76 176.45 3kqa s ALA 186 N -2.46 3.29 -0.76 0.00 0.00 -1.26 -4.64 121.76 115.93 3kqa s ALA 186 Ca 0.66 1.23 0.13 0.00 0.00 0.00 0.00 51.96 53.97 3kqa s ALA 186 Cb -0.20 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.34 3kqa s ALA 186 CO 0.45 -0.80 0.59 0.54 0.00 0.00 0.00 175.76 176.54 3kqa n ARG 187 N 0.20 2.59 -1.40 0.00 1.74 -1.26 -4.67 116.66 113.86 3kqa n ARG 187 Ca 0.03 -0.20 -0.43 0.00 -0.77 0.00 0.00 57.85 56.48 3kqa n ARG 187 Cb 0.43 -1.12 -0.01 0.00 -1.02 0.00 0.00 32.46 30.75 3kqa n ARG 187 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kqa n GLU 188 N -0.99 0.33 -0.01 5.56 4.71 -1.26 -4.48 120.64 124.49 3kqa n GLU 188 Ca 0.03 0.12 0.21 0.00 -0.01 0.00 0.00 57.16 57.51 3kqa n GLU 188 Cb 0.22 -1.26 0.70 0.00 -1.01 0.00 0.00 31.44 30.09 3kqa n GLU 188 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3kqa h PRO 189 N 0.79 0.00 -0.21 3.49 0.11 -1.97 0.21 132.00 134.43 3kqa h PRO 189 Ca -0.36 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.71 3kqa h PRO 189 Cb 1.42 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.52 3kqa h PRO 189 CO 0.52 0.00 -0.03 0.93 -0.21 0.00 0.00 178.00 179.21 3kqa h GLU 190 N 0.00 0.31 -0.22 1.05 3.07 -1.90 0.87 114.58 117.75 3kqa h GLU 190 Ca 0.27 -0.05 -0.19 0.00 -0.50 0.00 0.00 59.36 58.88 3kqa h GLU 190 Cb 1.10 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 3kqa h GLU 190 CO -0.00 0.36 -0.63 0.82 -1.40 0.00 0.00 179.01 178.16 3kqa h ILE 191 N 0.30 1.29 0.08 3.13 1.08 -0.89 -1.73 117.51 120.76 3kqa h ILE 191 Ca 0.07 -1.84 -0.00 0.00 -0.39 0.00 0.00 64.86 62.70 3kqa h ILE 191 Cb 0.25 1.78 0.00 0.00 -3.07 0.00 0.00 36.82 35.78 3kqa h ILE 191 CO 0.01 0.59 -0.04 0.58 -0.69 0.00 0.00 178.15 178.60 3kqa h VAL 192 N 0.57 0.97 -0.88 1.67 2.07 -0.99 0.15 116.25 119.81 3kqa h VAL 192 Ca -0.01 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.40 3kqa h VAL 192 Cb 1.23 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 32.01 3kqa h VAL 192 CO 0.13 0.04 0.56 -0.78 0.02 0.00 0.00 177.57 177.54 3kqa h ASP 193 N -0.17 0.92 -0.41 0.57 3.58 -0.88 0.24 116.42 120.27 3kqa h ASP 193 Ca -0.01 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.31 3kqa h ASP 193 Cb 0.14 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 3kqa h ASP 193 CO 0.02 0.62 -0.26 0.74 -2.88 0.00 0.00 179.24 177.48 3kqa h THR 194 N 1.07 1.28 -0.42 2.25 2.02 -1.04 -1.13 112.91 116.94 3kqa h THR 194 Ca 0.36 -1.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.12 3kqa h THR 194 Cb 0.06 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3kqa h THR 194 CO -0.14 0.48 0.25 0.00 0.37 0.00 0.00 175.52 176.49 3kqa h ALA 195 N 0.81 0.54 -0.09 6.16 0.00 0.12 -1.42 119.26 125.37 3kqa h ALA 195 Ca 0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3kqa h ALA 195 Cb 0.84 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3kqa h ALA 195 CO 0.07 0.03 -0.08 -0.91 0.00 0.00 0.00 179.25 178.36 3kqa h ASN 196 N 0.56 0.12 -0.12 0.00 2.35 -0.33 -0.83 115.58 117.33 3kqa h ASN 196 Ca 0.15 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 3kqa h ASN 196 Cb -0.00 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 3kqa h ASN 196 CO -0.03 0.22 -0.12 0.15 -1.65 0.00 0.00 177.43 176.01 3kqa h PHE 197 N 0.13 0.35 -0.59 1.19 3.57 -0.74 -0.72 116.94 120.13 3kqa h PHE 197 Ca 0.03 -0.10 0.05 0.00 3.53 0.00 0.00 57.97 61.47 3kqa h PHE 197 Cb 0.23 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 3kqa h PHE 197 CO 0.00 0.70 0.33 -0.07 -2.23 0.00 0.00 178.31 177.04 3kqa h LEU 198 N -0.10 0.50 -0.50 0.59 3.38 -0.57 -2.27 115.31 116.34 3kqa h LEU 198 Ca 0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kqa h LEU 198 Cb 0.64 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3kqa h LEU 198 CO 0.03 0.33 0.32 0.58 0.09 0.00 0.00 178.44 179.79 3kqa h VAL 199 N 0.63 1.14 0.00 1.22 2.07 -1.09 -1.10 116.25 119.12 3kqa h VAL 199 Ca 0.26 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3kqa h VAL 199 Cb 0.12 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3kqa h VAL 199 CO -0.15 0.14 0.01 0.00 0.02 0.00 0.00 177.57 177.59 3kqa h ALA 200 N 1.16 1.01 0.00 1.67 0.00 -0.56 0.53 119.26 123.07 3kqa h ALA 200 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kqa h ALA 200 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3kqa h ALA 200 CO -0.04 -0.01 -0.54 1.28 0.00 0.00 0.00 179.25 179.94 3kqa n LEU 201 N -2.95 0.56 0.00 0.00 4.77 -0.47 -4.81 117.00 114.10 3kqa n LEU 201 Ca -0.03 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3kqa n LEU 201 Cb 0.07 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3kqa n LEU 201 CO 0.18 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 3kqa n GLY 202 N 1.42 1.55 3.90 -0.72 0.00 0.18 -1.85 105.19 109.67 3kqa n GLY 202 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 3kqa n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa s ALA 203 N -2.00 3.27 -0.47 4.61 0.00 -0.85 -4.96 121.76 121.36 3kqa s ALA 203 Ca 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 3kqa s ALA 203 Cb 0.00 -2.71 0.13 0.00 0.00 0.00 0.00 23.12 20.54 3kqa s ALA 203 CO 0.00 -0.64 0.27 0.15 0.00 0.00 0.00 175.76 175.54 3kqa s LYS 204 N -4.96 2.16 0.01 0.00 1.02 -1.26 -4.33 119.74 112.38 3kqa s LYS 204 Ca 0.52 -2.06 0.04 0.00 0.02 0.00 0.00 55.97 54.49 3kqa s LYS 204 Cb -0.11 -3.61 -0.01 0.00 -0.52 0.00 0.00 37.83 33.58 3kqa s LYS 204 CO 0.47 -1.10 -0.11 0.42 -0.92 0.00 0.00 175.35 174.10 3kqa s ILE 205 N 0.73 0.89 0.05 2.17 1.01 -1.26 -0.61 121.20 124.18 3kqa s ILE 205 Ca 0.11 -0.62 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 3kqa s ILE 205 Cb -0.22 -0.77 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 3kqa s ILE 205 CO -0.04 0.14 0.08 -0.94 0.00 0.00 0.00 174.94 174.19 3kqa s SER 206 N -0.55 0.22 0.00 3.58 1.04 -0.55 -4.90 113.70 112.55 3kqa s SER 206 Ca 0.03 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.83 3kqa s SER 206 Cb -0.05 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.30 3kqa s SER 206 CO 0.00 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.28 3kqa n GLY 207 N 0.57 1.60 3.66 7.32 0.00 -1.26 -0.41 105.19 116.67 3kqa n GLY 207 Ca -0.18 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.35 3kqa n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqa n GLN 208 N -2.00 1.86 0.00 1.61 0.00 -1.26 -0.71 117.38 116.88 3kqa n GLN 208 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 57.00 57.68 3kqa n GLN 208 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 30.24 27.81 3kqa n GLN 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kqa n GLY 209 N 3.61 1.34 3.88 2.61 0.00 -1.26 -4.89 105.19 110.48 3kqa n GLY 209 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 3kqa n GLY 209 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kqa s THR 210 N -2.20 1.69 -1.66 2.61 -4.23 0.11 -4.85 115.64 107.11 3kqa s THR 210 Ca 0.00 -1.54 0.22 0.00 -1.18 0.00 0.00 61.69 59.19 3kqa s THR 210 Cb 0.00 -2.23 0.49 0.00 1.34 0.00 0.00 72.50 72.10 3kqa s THR 210 CO 0.00 0.00 1.71 -0.90 -0.54 0.00 0.00 174.62 174.89 3kqa n ASP 211 N -1.69 0.00 -3.90 3.99 3.85 -1.26 -4.65 116.55 112.89 3kqa n ASP 211 Ca -0.03 -0.31 -0.24 0.00 -0.71 0.00 0.00 54.79 53.50 3kqa n ASP 211 Cb 0.64 -0.17 -0.17 0.00 -1.35 0.00 0.00 41.12 40.08 3kqa n ASP 211 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 3kqa s ARG 212 N -2.34 1.24 -0.13 0.11 3.52 -1.26 -0.20 118.95 119.90 3kqa s ARG 212 Ca 0.26 -0.18 -0.00 0.00 -0.13 0.00 0.00 55.73 55.68 3kqa s ARG 212 Cb 0.15 -1.28 -0.02 0.00 -1.56 0.00 0.00 34.95 32.25 3kqa s ARG 212 CO 0.30 -0.18 -0.13 0.42 -0.81 0.00 0.00 175.30 174.90 3kqa s ILE 213 N 1.40 3.06 -0.14 4.11 1.01 -0.83 -4.34 121.20 125.47 3kqa s ILE 213 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.97 3kqa s ILE 213 Cb -0.13 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 3kqa s ILE 213 CO -0.04 0.53 -0.14 -0.89 0.00 0.00 0.00 174.94 174.40 3kqa s THR 214 N 0.31 2.85 -0.03 2.92 2.01 0.45 -1.00 115.64 123.16 3kqa s THR 214 Ca -0.10 -0.72 0.07 0.00 0.31 0.00 0.00 61.69 61.25 3kqa s THR 214 Cb -0.16 -2.20 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 3kqa s THR 214 CO 0.06 0.52 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.64 3kqa s ILE 215 N 0.56 2.25 -0.30 1.82 1.09 0.06 -1.48 121.20 125.20 3kqa s ILE 215 Ca -0.09 -1.03 0.00 0.00 -1.10 0.00 0.00 60.65 58.43 3kqa s ILE 215 Cb -0.16 -1.80 0.06 0.00 -1.06 0.00 0.00 42.46 39.51 3kqa s ILE 215 CO 0.04 0.58 -0.02 -0.70 -0.10 0.00 0.00 174.94 174.74 3kqa s GLU 216 N -0.63 2.22 0.57 2.79 2.12 0.22 -0.79 118.70 125.20 3kqa s GLU 216 Ca 0.10 -1.41 -0.18 0.00 0.36 0.00 0.00 54.97 53.84 3kqa s GLU 216 Cb -0.10 -3.12 -0.09 0.00 0.26 0.00 0.00 34.13 31.08 3kqa s GLU 216 CO -0.01 -0.68 0.50 0.41 -0.54 0.00 0.00 175.26 174.94 3kqa n GLY 217 N 4.51 -1.56 3.12 -1.50 0.00 -0.23 -4.10 105.19 105.43 3kqa n GLY 217 Ca -0.11 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 3kqa n GLY 217 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kqa s VAL 218 N -1.73 0.59 0.30 1.61 -7.23 -0.36 -4.76 120.40 108.82 3kqa s VAL 218 Ca 0.68 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 3kqa s VAL 218 Cb -0.45 -1.22 0.28 0.00 0.56 0.00 0.00 36.38 35.55 3kqa s VAL 218 CO 0.55 -0.68 1.92 -0.33 -0.31 0.00 0.00 175.10 176.24 3kqa h GLU 219 N 3.61 1.02 -2.41 4.82 5.08 -1.90 -3.39 114.58 121.40 3kqa h GLU 219 Ca -0.35 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.05 3kqa h GLU 219 Cb 1.18 -0.23 -0.13 0.00 0.50 0.00 0.00 28.75 30.07 3kqa h GLU 219 CO 0.55 0.67 0.44 -0.98 -1.00 0.00 0.00 179.01 178.70 3kqa s ARG 220 N -5.91 0.97 0.10 2.33 1.70 -1.26 -5.03 118.95 111.86 3kqa s ARG 220 Ca -0.11 -0.40 0.08 0.00 -0.47 0.00 0.00 55.73 54.82 3kqa s ARG 220 Cb 0.20 0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 34.96 3kqa s ARG 220 CO 0.80 -0.43 -0.14 -0.51 -1.08 0.00 0.00 175.30 173.94 3kqa s LEU 221 N -2.61 2.87 0.00 -1.89 1.43 -1.26 -4.94 118.68 112.29 3kqa s LEU 221 Ca 0.06 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3kqa s LEU 221 Cb -0.01 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.52 3kqa s LEU 221 CO -0.07 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.30 3kqa n GLY 222 N 0.81 1.79 0.00 -3.19 0.00 -0.77 -1.62 105.19 102.21 3kqa n GLY 222 Ca -0.15 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.13 3kqa n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqa n GLY 223 N 5.00 6.98 0.00 -0.02 0.00 -1.26 -3.69 105.19 112.20 3kqa n GLY 223 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.02 3kqa n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqa n GLY 224 N 4.47 0.14 2.88 -0.02 0.00 -0.69 -4.63 105.19 107.34 3kqa n GLY 224 Ca 0.00 -1.42 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 3kqa n GLY 224 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kqa s VAL 225 N -3.09 0.15 -0.09 1.61 1.01 -1.26 -0.18 120.40 118.55 3kqa s VAL 225 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.85 3kqa s VAL 225 Cb 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 36.38 36.24 3kqa s VAL 225 CO 0.00 0.07 0.28 -0.47 0.00 0.00 0.00 175.10 174.98 3kqa s TYR 226 N 0.28 -0.28 -0.24 5.22 5.04 0.09 -4.96 117.35 122.51 3kqa s TYR 226 Ca -0.02 0.66 -0.06 0.00 -2.44 0.00 0.00 57.07 55.20 3kqa s TYR 226 Cb -0.05 0.10 -0.02 0.00 0.35 0.00 0.00 41.96 42.34 3kqa s TYR 226 CO -0.01 -0.19 0.04 0.50 -1.34 0.00 0.00 175.55 174.55 3kqa s ARG 227 N -0.11 3.59 0.56 4.97 3.52 -1.26 -0.61 118.95 129.61 3kqa s ARG 227 Ca -0.02 -0.51 -0.21 0.00 -0.13 0.00 0.00 55.73 54.85 3kqa s ARG 227 Cb -0.03 -3.22 -0.04 0.00 -1.56 0.00 0.00 34.95 30.10 3kqa s ARG 227 CO 0.01 -0.16 1.34 0.08 -0.81 0.00 0.00 175.30 175.76 3kqa s VAL 228 N 1.49 2.13 0.66 7.11 1.01 -0.48 -4.94 120.40 127.38 3kqa s VAL 228 Ca 0.06 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 3kqa s VAL 228 Cb -0.15 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 3kqa s VAL 228 CO 0.02 -0.00 1.05 -1.48 0.00 0.00 0.00 175.10 174.69 3kqa s LEU 229 N -3.62 3.11 0.67 3.92 2.34 -1.26 -4.81 118.68 119.03 3kqa s LEU 229 Ca 0.73 1.38 -0.17 0.00 0.06 0.00 0.00 54.13 56.13 3kqa s LEU 229 Cb -0.39 -4.33 0.00 0.00 -0.56 0.00 0.00 46.19 40.91 3kqa s LEU 229 CO 0.46 -1.11 1.27 -2.84 -1.06 0.00 0.00 176.35 173.07 3kqa s PRO 230 N -5.20 2.43 -0.64 1.48 0.02 -1.26 -0.94 135.00 130.88 3kqa s PRO 230 Ca 0.56 1.99 -0.27 0.00 0.02 0.00 0.00 61.00 63.30 3kqa s PRO 230 Cb -0.12 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.60 3kqa s PRO 230 CO 0.54 -1.67 1.20 0.34 -0.33 0.00 0.00 177.00 177.08 3kqa s ASP 231 N -1.55 6.32 0.47 2.53 -1.08 0.26 -4.30 116.67 119.31 3kqa s ASP 231 Ca 0.81 -0.18 0.13 0.00 -0.52 0.00 0.00 52.55 52.79 3kqa s ASP 231 Cb -0.35 -2.54 1.07 0.00 -1.46 0.00 0.00 42.92 39.63 3kqa s ASP 231 CO 0.41 -1.61 2.07 0.08 0.52 0.00 0.00 175.17 176.64 3kqa h ARG 232 N 9.72 0.14 0.00 4.34 0.11 -1.91 -1.58 114.38 125.19 3kqa h ARG 232 Ca -0.26 -0.01 -0.26 0.00 0.10 0.00 0.00 59.98 59.54 3kqa h ARG 232 Cb 1.06 -0.03 0.02 0.00 1.11 0.00 0.00 29.97 32.13 3kqa h ARG 232 CO 1.22 0.16 -1.04 0.82 0.10 0.00 0.00 179.97 181.23 3kqa h ILE 233 N 0.14 1.29 -0.96 0.08 1.08 -1.95 -0.77 117.51 116.42 3kqa h ILE 233 Ca 0.03 -2.26 -0.00 0.00 -0.39 0.00 0.00 64.86 62.24 3kqa h ILE 233 Cb 0.11 2.39 -0.05 0.00 -3.07 0.00 0.00 36.82 36.20 3kqa h ILE 233 CO 0.00 0.70 0.59 -0.08 -0.69 0.00 0.00 178.15 178.67 3kqa h GLU 234 N 0.38 1.29 0.30 2.37 4.81 -1.89 0.69 114.58 122.53 3kqa h GLU 234 Ca -0.13 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 3kqa h GLU 234 Cb 1.69 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 30.80 3kqa h GLU 234 CO 0.20 0.89 -0.16 1.15 -0.73 0.00 0.00 179.01 180.36 3kqa h THR 235 N 1.31 0.67 -0.82 0.32 2.02 -1.10 -1.03 112.91 114.27 3kqa h THR 235 Ca 0.34 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.58 3kqa h THR 235 Cb -0.08 0.67 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 3kqa h THR 235 CO -0.07 0.00 0.54 1.23 0.37 0.00 0.00 175.52 177.59 3kqa h GLY 236 N -0.43 1.15 0.98 2.16 0.00 -0.83 -0.02 103.07 106.09 3kqa h GLY 236 Ca -0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 3kqa h GLY 236 CO 0.05 0.29 0.28 -0.84 0.00 0.00 0.00 176.54 176.32 3kqa h THR 237 N 0.94 1.18 -0.11 4.70 2.02 -0.32 0.81 112.91 122.13 3kqa h THR 237 Ca 0.34 -0.48 -0.17 0.00 0.77 0.00 0.00 66.41 66.87 3kqa h THR 237 Cb 0.16 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3kqa h THR 237 CO -0.12 0.20 -0.66 -0.26 0.37 0.00 0.00 175.52 175.05 3kqa h PHE 238 N 0.70 0.59 -0.50 3.16 -1.00 -0.65 -1.31 116.94 117.93 3kqa h PHE 238 Ca 0.18 -0.24 0.00 0.00 2.81 0.00 0.00 57.97 60.73 3kqa h PHE 238 Cb 0.07 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 3kqa h PHE 238 CO -0.01 0.98 0.32 -0.07 -1.61 0.00 0.00 178.31 177.92 3kqa h LEU 239 N 0.32 0.58 -1.04 1.54 3.38 -0.64 -2.00 115.31 117.46 3kqa h LEU 239 Ca -0.02 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3kqa h LEU 239 Cb 1.22 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3kqa h LEU 239 CO 0.12 0.44 0.10 0.58 0.09 0.00 0.00 178.44 179.77 3kqa h VAL 240 N 0.67 1.22 -0.40 1.22 2.07 -0.74 -0.22 116.25 120.08 3kqa h VAL 240 Ca 0.18 -0.83 0.07 0.00 0.82 0.00 0.00 66.70 66.94 3kqa h VAL 240 Cb -0.05 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 3kqa h VAL 240 CO -0.04 0.30 0.05 0.00 0.02 0.00 0.00 177.57 177.90 3kqa h ALA 241 N 1.35 0.41 -0.14 1.67 0.00 -0.50 -1.10 119.26 120.94 3kqa h ALA 241 Ca 0.17 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 3kqa h ALA 241 Cb 0.31 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3kqa h ALA 241 CO 0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 179.25 178.70 3kqa h ALA 242 N 1.33 0.22 -0.86 0.00 0.00 -1.16 -3.07 119.26 115.71 3kqa h ALA 242 Ca 0.20 -0.36 0.20 0.00 0.00 0.00 0.00 54.91 54.95 3kqa h ALA 242 Cb 0.26 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3kqa h ALA 242 CO -0.29 0.15 0.58 0.00 0.00 0.00 0.00 179.25 179.69 3kqa h ALA 243 N 0.58 2.28 0.00 0.00 0.00 -0.60 -1.35 119.26 120.17 3kqa h ALA 243 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kqa h ALA 243 Cb 0.76 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3kqa h ALA 243 CO 0.05 -0.55 -0.67 0.44 0.00 0.00 0.00 179.25 178.52 3kqa n ILE 244 N -4.47 0.17 -0.73 0.00 -5.35 -0.46 -4.15 119.36 104.38 3kqa n ILE 244 Ca 0.18 -0.15 0.08 0.00 -0.27 0.00 0.00 62.75 62.58 3kqa n ILE 244 Cb 0.70 0.11 0.22 0.00 -1.74 0.00 0.00 39.64 38.93 3kqa n ILE 244 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3kqa n SER 245 N -1.83 3.51 -1.90 7.28 3.41 -0.64 -4.91 113.62 118.54 3kqa n SER 245 Ca 0.04 -2.69 -0.18 0.00 -0.26 0.00 0.00 58.87 55.78 3kqa n SER 245 Cb 0.40 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 63.89 3kqa n SER 245 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kqa n GLY 246 N -0.22 0.06 0.01 5.00 0.00 -1.07 -4.42 105.19 104.55 3kqa n GLY 246 Ca 0.18 -0.14 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 3kqa n GLY 246 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqa n GLY 247 N -0.97 0.86 3.03 -0.02 0.00 -0.60 -3.28 105.19 104.21 3kqa n GLY 247 Ca -0.20 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 43.72 3kqa n GLY 247 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kqa s LYS 248 N -2.36 0.18 0.10 1.61 2.20 -1.25 -1.35 119.74 118.88 3kqa s LYS 248 Ca 0.00 0.26 -0.20 0.00 -0.36 0.00 0.00 55.97 55.67 3kqa s LYS 248 Cb -0.00 0.05 0.05 0.00 -1.51 0.00 0.00 37.83 36.42 3kqa s LYS 248 CO 0.00 -0.05 0.49 -1.50 -0.36 0.00 0.00 175.35 173.93 3kqa s ILE 249 N 0.26 0.04 -0.07 5.43 2.07 -0.10 -1.75 121.20 127.08 3kqa s ILE 249 Ca -0.01 -0.33 0.02 0.00 -1.41 0.00 0.00 60.65 58.92 3kqa s ILE 249 Cb -0.03 -1.05 0.01 0.00 0.13 0.00 0.00 42.46 41.52 3kqa s ILE 249 CO -0.01 -0.18 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.01 3kqa s VAL 250 N -3.27 1.27 -0.30 4.00 1.01 -0.82 -0.96 120.40 121.34 3kqa s VAL 250 Ca -0.01 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 3kqa s VAL 250 Cb 0.00 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 3kqa s VAL 250 CO -0.08 0.38 0.16 0.00 0.00 0.00 0.00 175.10 175.56 3kqa s ARG 252 N 1.66 3.56 -1.36 0.00 1.81 0.60 -2.10 118.95 123.10 3kqa s ARG 252 Ca 0.06 0.05 -0.07 0.00 -1.72 0.00 0.00 55.73 54.04 3kqa s ARG 252 Cb -0.17 -2.49 0.02 0.00 -0.45 0.00 0.00 34.95 31.87 3kqa s ARG 252 CO 0.07 -0.04 1.06 0.09 -0.68 0.00 0.00 175.30 175.80 3kqa n ASN 253 N -1.87 -4.66 -4.61 0.23 4.13 -1.02 -1.24 115.26 106.22 3kqa n ASN 253 Ca -0.01 -0.64 -0.22 0.00 1.68 0.00 0.00 54.58 55.39 3kqa n ASN 253 Cb 0.55 -4.69 0.02 0.00 -1.54 0.00 0.00 39.78 34.12 3kqa n ASN 253 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kqa n ALA 254 N -4.70 0.86 -3.34 5.41 0.00 -0.57 -4.50 120.51 113.68 3kqa n ALA 254 Ca -0.07 -1.98 -0.15 0.00 0.00 0.00 0.00 53.44 51.23 3kqa n ALA 254 Cb 0.59 0.75 -0.07 0.00 0.00 0.00 0.00 19.45 20.72 3kqa n ALA 254 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3kqa s GLN 255 N -4.14 0.67 0.29 0.00 0.74 -1.26 -4.20 119.66 111.76 3kqa s GLN 255 Ca 0.35 -0.83 0.03 0.00 0.05 0.00 0.00 55.36 54.96 3kqa s GLN 255 Cb -0.03 -0.64 0.70 0.00 1.10 0.00 0.00 33.01 34.14 3kqa s GLN 255 CO 0.23 -1.20 1.69 -1.35 -0.55 0.00 0.00 175.29 174.10 3kqa h PRO 256 N 7.01 0.36 0.00 1.67 0.11 -1.84 -2.25 132.00 137.06 3kqa h PRO 256 Ca 0.06 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3kqa h PRO 256 Cb 1.07 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3kqa h PRO 256 CO 0.19 0.24 0.00 -0.40 -0.21 0.00 0.00 178.00 177.81 3kqa n ASP 257 N -5.07 0.45 -0.19 -2.05 3.85 -1.26 -0.52 116.55 111.76 3kqa n ASP 257 Ca 0.21 0.69 0.14 0.00 -0.71 0.00 0.00 54.79 55.12 3kqa n ASP 257 Cb 0.64 -0.76 0.53 0.00 -1.35 0.00 0.00 41.12 40.19 3kqa n ASP 257 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3kqa n THR 258 N -2.08 0.00 -1.64 2.12 -2.24 -0.84 -4.13 114.28 105.45 3kqa n THR 258 Ca -0.00 -0.10 0.06 0.00 -2.27 0.00 0.00 64.05 61.74 3kqa n THR 258 Cb 0.07 0.12 0.14 0.00 -2.10 0.00 0.00 70.33 68.56 3kqa n THR 258 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kqa n LEU 259 N -0.74 2.09 -0.16 3.22 4.77 0.32 -4.92 117.00 121.58 3kqa n LEU 259 Ca 0.14 -3.12 -0.13 0.00 -0.03 0.00 0.00 56.01 52.87 3kqa n LEU 259 Cb 0.30 -0.37 -0.10 0.00 -2.33 0.00 0.00 43.42 40.93 3kqa n LEU 259 CO 0.24 0.97 0.50 0.44 -1.33 0.00 0.00 177.39 178.20 3kqa h ASP 260 N 0.65 -1.87 -0.60 -1.43 3.32 -1.71 -0.25 116.42 114.52 3kqa h ASP 260 Ca -0.04 0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 3kqa h ASP 260 Cb 1.18 0.77 -0.03 0.00 0.22 0.00 0.00 39.33 41.48 3kqa h ASP 260 CO 0.02 -0.38 0.36 0.00 -1.72 0.00 0.00 179.24 177.51 3kqa h ALA 261 N -0.01 1.47 -0.33 3.45 0.00 -1.89 -1.26 119.26 120.68 3kqa h ALA 261 Ca 0.08 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3kqa h ALA 261 Cb 0.57 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3kqa h ALA 261 CO -0.62 0.45 -0.07 0.28 0.00 0.00 0.00 179.25 179.29 3kqa h VAL 262 N 0.85 1.28 -0.07 0.00 2.07 -1.75 -1.74 116.25 116.88 3kqa h VAL 262 Ca 0.22 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 3kqa h VAL 262 Cb -0.01 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3kqa h VAL 262 CO -0.04 0.36 0.03 -0.07 0.02 0.00 0.00 177.57 177.87 3kqa h LEU 263 N 0.42 0.11 -1.10 2.57 3.38 -0.79 0.17 115.31 120.07 3kqa h LEU 263 Ca 0.09 -0.19 0.13 0.00 0.09 0.00 0.00 57.88 57.99 3kqa h LEU 263 Cb 0.56 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.21 3kqa h LEU 263 CO 0.03 0.27 0.61 0.00 0.09 0.00 0.00 178.44 179.44 3kqa h ALA 264 N 0.84 1.63 -0.09 1.53 0.00 -1.22 0.72 119.26 122.67 3kqa h ALA 264 Ca 0.02 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 3kqa h ALA 264 Cb 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kqa h ALA 264 CO -0.00 0.13 -0.76 -0.22 0.00 0.00 0.00 179.25 178.40 3kqa h LYS 265 N 0.89 0.49 -0.27 0.00 1.63 -1.03 -2.02 116.57 116.26 3kqa h LYS 265 Ca 0.48 -0.41 -0.07 0.00 -0.85 0.00 0.00 60.65 59.80 3kqa h LYS 265 Cb 0.57 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.27 3kqa h LYS 265 CO -0.25 1.04 -0.13 -0.07 -3.45 0.00 0.00 179.45 176.59 3kqa h LEU 266 N 0.33 0.44 -0.60 5.20 3.38 0.54 -1.78 115.31 122.82 3kqa h LEU 266 Ca -0.04 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 3kqa h LEU 266 Cb 1.35 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3kqa h LEU 266 CO 0.14 0.61 -0.11 0.03 0.09 0.00 0.00 178.44 179.20 3kqa h ARG 267 N 0.42 1.00 0.00 1.13 3.08 -0.76 -1.66 114.38 117.60 3kqa h ARG 267 Ca 0.08 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 59.75 3kqa h ARG 267 Cb 0.49 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 3kqa h ARG 267 CO 0.03 1.05 -0.08 0.93 -1.07 0.00 0.00 179.97 180.82 3kqa h GLU 268 N 0.89 0.00 -0.01 0.04 5.08 -0.88 0.40 114.58 120.10 3kqa h GLU 268 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3kqa h GLU 268 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3kqa h GLU 268 CO 0.05 0.08 -0.04 0.00 -1.00 0.00 0.00 179.01 178.10 3kqa n ALA 269 N -2.25 2.69 0.00 3.43 0.00 -0.71 -4.77 120.51 118.89 3kqa n ALA 269 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3kqa n ALA 269 Cb 0.21 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3kqa n ALA 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqa n GLY 270 N 1.16 0.91 3.74 0.00 0.00 0.13 -0.46 105.19 110.67 3kqa n GLY 270 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3kqa n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa s ALA 271 N -2.00 3.31 -0.59 4.61 0.00 -0.69 -4.87 121.76 121.54 3kqa s ALA 271 Ca 0.00 0.59 -0.21 0.00 0.00 0.00 0.00 51.96 52.34 3kqa s ALA 271 Cb 0.00 -3.22 0.07 0.00 0.00 0.00 0.00 23.12 19.97 3kqa s ALA 271 CO 0.00 0.13 0.81 0.34 0.00 0.00 0.00 175.76 177.04 3kqa s ASP 272 N -0.76 6.22 -0.08 0.00 2.15 -0.47 -4.37 116.67 119.35 3kqa s ASP 272 Ca 0.43 -0.97 0.01 0.00 0.43 0.00 0.00 52.55 52.44 3kqa s ASP 272 Cb -0.25 -2.36 -0.03 0.00 -0.30 0.00 0.00 42.92 39.98 3kqa s ASP 272 CO 0.31 -1.19 -0.09 -0.63 -0.17 0.00 0.00 175.17 173.40 3kqa s ILE 273 N 3.36 3.52 0.10 4.11 1.01 -1.26 -1.47 121.20 130.57 3kqa s ILE 273 Ca 0.19 -0.53 0.06 0.00 0.00 0.00 0.00 60.65 60.37 3kqa s ILE 273 Cb -0.18 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 3kqa s ILE 273 CO 0.11 0.57 -0.15 -1.61 0.00 0.00 0.00 174.94 173.87 3kqa s GLU 274 N -0.48 0.96 0.06 2.79 0.41 -0.95 -5.01 118.70 116.49 3kqa s GLU 274 Ca 0.07 -1.13 -0.05 0.00 -0.41 0.00 0.00 54.97 53.45 3kqa s GLU 274 Cb -0.12 -0.92 -0.02 0.00 -1.78 0.00 0.00 34.13 31.29 3kqa s GLU 274 CO 0.02 0.19 0.08 0.95 -0.49 0.00 0.00 175.26 176.01 3kqa s THR 275 N -1.75 0.17 0.00 3.63 -4.23 -1.26 -1.38 115.64 110.81 3kqa s THR 275 Ca 0.05 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 3kqa s THR 275 Cb -0.07 -1.25 0.00 0.00 1.34 0.00 0.00 72.50 72.52 3kqa s THR 275 CO 0.03 -0.76 0.00 0.61 -0.54 0.00 0.00 174.62 173.96 3kqa n GLY 276 N 0.27 4.77 0.25 3.99 0.00 -0.82 -5.01 105.19 108.64 3kqa n GLY 276 Ca -0.16 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 3kqa n GLY 276 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kqa h GLU 277 N 0.00 -0.27 -0.19 1.61 4.11 -2.02 -3.34 114.58 114.49 3kqa h GLU 277 Ca 0.00 0.02 -0.19 0.00 0.07 0.00 0.00 59.36 59.26 3kqa h GLU 277 Cb 0.00 0.06 -0.28 0.00 0.50 0.00 0.00 28.75 29.03 3kqa h GLU 277 CO 0.00 -0.18 -0.85 -0.40 0.07 0.00 0.00 179.01 177.65 3kqa n ASP 278 N -5.35 1.93 -3.62 3.06 3.85 -1.26 -4.49 116.55 110.67 3kqa n ASP 278 Ca -0.03 -2.87 -0.11 0.00 -0.71 0.00 0.00 54.79 51.07 3kqa n ASP 278 Cb 0.26 -0.41 -0.05 0.00 -1.35 0.00 0.00 41.12 39.57 3kqa n ASP 278 CO 0.00 0.00 0.00 -1.66 -1.01 0.00 0.00 177.20 174.53 3kqa s TRP 279 N -2.24 -0.26 -0.03 2.11 1.48 -1.25 -1.51 118.94 117.23 3kqa s TRP 279 Ca 0.37 0.05 -0.01 0.00 -1.06 0.00 0.00 56.10 55.44 3kqa s TRP 279 Cb 0.37 0.28 0.02 0.00 -1.16 0.00 0.00 33.47 32.99 3kqa s TRP 279 CO -0.08 -0.68 0.07 0.42 -4.06 0.00 0.00 176.95 172.62 3kqa s ILE 280 N -3.38 -0.04 0.09 0.66 1.01 -0.89 -1.94 121.20 116.70 3kqa s ILE 280 Ca 0.00 0.13 0.10 0.00 0.00 0.00 0.00 60.65 60.88 3kqa s ILE 280 Cb 0.01 -0.12 -0.04 0.00 0.01 0.00 0.00 42.46 42.32 3kqa s ILE 280 CO -0.09 0.05 -0.26 -0.94 0.00 0.00 0.00 174.94 173.70 3kqa s SER 281 N 0.72 3.30 -0.01 3.58 1.04 -0.48 -0.08 113.70 121.78 3kqa s SER 281 Ca -0.06 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.71 3kqa s SER 281 Cb -0.08 -0.28 0.01 0.00 0.10 0.00 0.00 66.02 65.77 3kqa s SER 281 CO -0.03 0.22 -0.00 -0.22 0.98 0.00 0.00 173.24 174.19 3kqa s LEU 282 N -1.70 1.77 -0.04 2.42 0.20 -0.13 -2.23 118.68 118.97 3kqa s LEU 282 Ca 0.13 -0.01 -0.00 0.00 0.69 0.00 0.00 54.13 54.94 3kqa s LEU 282 Cb -0.10 -0.06 0.03 0.00 -0.43 0.00 0.00 46.19 45.63 3kqa s LEU 282 CO 0.05 -0.02 0.01 -0.62 -0.29 0.00 0.00 176.35 175.47 3kqa s ASP 283 N 0.25 0.91 0.02 3.68 -1.08 -0.54 -0.92 116.67 118.99 3kqa s ASP 283 Ca -0.02 -0.03 0.24 0.00 -0.52 0.00 0.00 52.55 52.22 3kqa s ASP 283 Cb -0.04 -0.28 0.34 0.00 -1.46 0.00 0.00 42.92 41.48 3kqa s ASP 283 CO -0.01 -0.15 1.29 0.23 0.52 0.00 0.00 175.17 177.05 3kqa n MET 284 N 4.63 0.09 -3.86 4.34 2.81 -0.46 -1.37 117.12 123.30 3kqa n MET 284 Ca -0.17 0.01 -0.29 0.00 -1.81 0.00 0.00 57.70 55.44 3kqa n MET 284 Cb 0.50 -1.54 0.04 0.00 -0.71 0.00 0.00 33.22 31.51 3kqa n MET 284 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3kqa n HIS 285 N -1.66 -2.43 -0.88 2.03 8.25 -1.26 -1.41 115.22 117.87 3kqa n HIS 285 Ca 0.04 0.93 0.00 0.00 -0.26 0.00 0.00 57.72 58.43 3kqa n HIS 285 Cb 0.36 -4.18 0.00 0.00 1.12 0.00 0.00 29.99 27.29 3kqa n HIS 285 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kqa n GLY 286 N -1.76 0.40 3.89 -1.41 0.00 -1.20 -5.00 105.19 100.11 3kqa n GLY 286 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3kqa n GLY 286 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqa s LYS 287 N -0.70 3.62 0.58 1.61 -0.14 -0.50 -4.86 119.74 119.37 3kqa s LYS 287 Ca 0.00 -0.08 -0.19 0.00 -1.36 0.00 0.00 55.97 54.35 3kqa s LYS 287 Cb 0.00 -2.88 -0.04 0.00 -1.68 0.00 0.00 37.83 33.23 3kqa s LYS 287 CO 0.00 0.49 1.20 0.50 -0.76 0.00 0.00 175.35 176.78 3kqa s ARG 288 N -2.53 3.04 0.63 1.68 3.52 -1.26 -4.42 118.95 119.61 3kqa s ARG 288 Ca 0.39 1.80 -0.11 0.00 -0.13 0.00 0.00 55.73 57.69 3kqa s ARG 288 Cb -0.12 -1.95 -0.03 0.00 -1.56 0.00 0.00 34.95 31.29 3kqa s ARG 288 CO 0.24 -1.15 1.03 -1.25 -0.81 0.00 0.00 175.30 173.36 3kqa s PRO 289 N -3.31 3.42 -0.11 5.12 0.04 -1.26 -4.88 135.00 134.01 3kqa s PRO 289 Ca 0.77 0.64 -0.13 0.00 0.04 0.00 0.00 61.00 62.32 3kqa s PRO 289 Cb -0.30 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 3kqa s PRO 289 CO 0.32 -0.65 0.30 0.15 0.04 0.00 0.00 177.00 177.15 3kqa s LYS 290 N -5.19 4.02 0.55 4.56 -0.14 0.39 -0.70 119.74 123.23 3kqa s LYS 290 Ca 0.55 0.14 -0.21 0.00 -1.36 0.00 0.00 55.97 55.09 3kqa s LYS 290 Cb -0.11 -3.33 -0.05 0.00 -1.68 0.00 0.00 37.83 32.66 3kqa s LYS 290 CO 0.53 0.45 1.34 0.00 -0.76 0.00 0.00 175.35 176.91 3kqa s ALA 291 N -0.19 2.78 0.38 5.17 0.00 -0.58 -4.40 121.76 124.92 3kqa s ALA 291 Ca 0.18 1.31 0.04 0.00 0.00 0.00 0.00 51.96 53.49 3kqa s ALA 291 Cb -0.14 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 3kqa s ALA 291 CO 0.06 -1.37 0.13 0.14 0.00 0.00 0.00 175.76 174.72 3kqa s VAL 292 N -1.32 0.62 -0.10 0.00 -7.23 -1.26 -4.88 120.40 106.23 3kqa s VAL 292 Ca 0.72 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.91 3kqa s VAL 292 Cb -0.40 -2.42 -0.01 0.00 0.56 0.00 0.00 36.38 34.11 3kqa s VAL 292 CO 0.46 0.00 -0.16 -0.89 -0.31 0.00 0.00 175.10 174.20 3kqa s THR 293 N -3.27 2.80 -0.02 5.32 2.01 -1.26 -3.05 115.64 118.16 3kqa s THR 293 Ca 0.27 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.53 3kqa s THR 293 Cb 0.04 -2.13 -0.00 0.00 0.01 0.00 0.00 72.50 70.41 3kqa s THR 293 CO 0.15 0.55 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.83 3kqa s VAL 294 N 0.11 0.89 -0.19 3.82 1.01 0.14 -4.96 120.40 121.23 3kqa s VAL 294 Ca -0.08 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 3kqa s VAL 294 Cb -0.15 -0.77 0.05 0.00 0.00 0.00 0.00 36.38 35.52 3kqa s VAL 294 CO 0.05 0.26 -0.00 -0.60 0.00 0.00 0.00 175.10 174.81 3kqa s ARG 295 N -0.02 1.00 0.36 2.72 3.52 -1.26 0.19 118.95 125.45 3kqa s ARG 295 Ca 0.00 -0.52 -0.26 0.00 -0.13 0.00 0.00 55.73 54.82 3kqa s ARG 295 Cb -0.07 -2.11 -0.09 0.00 -1.56 0.00 0.00 34.95 31.12 3kqa s ARG 295 CO 0.00 -0.57 1.04 0.95 -0.81 0.00 0.00 175.30 175.92 3kqa s THR 296 N 1.73 3.74 0.31 4.11 -4.23 -0.43 -4.24 115.64 116.63 3kqa s THR 296 Ca -0.01 1.44 -0.17 0.00 -1.18 0.00 0.00 61.69 61.77 3kqa s THR 296 Cb -0.17 -3.80 0.03 0.00 1.34 0.00 0.00 72.50 69.90 3kqa s THR 296 CO -0.07 0.11 0.69 0.00 -0.54 0.00 0.00 174.62 174.81 3kqa s ALA 297 N -1.54 -0.84 0.73 3.99 0.00 -0.52 -3.64 121.76 119.95 3kqa s ALA 297 Ca 0.54 -0.58 -0.16 0.00 0.00 0.00 0.00 51.96 51.76 3kqa s ALA 297 Cb -0.24 0.85 0.03 0.00 0.00 0.00 0.00 23.12 23.77 3kqa s ALA 297 CO 0.30 -0.98 1.19 -2.30 0.00 0.00 0.00 175.76 173.97 3kqa n PRO 298 N -0.47 0.58 -1.90 0.00 -0.02 -1.26 -4.37 135.00 127.55 3kqa n PRO 298 Ca -0.05 0.26 -0.39 0.00 -2.02 0.00 0.00 63.50 61.31 3kqa n PRO 298 Cb 0.60 -2.43 0.01 0.00 -0.02 0.00 0.00 33.50 31.66 3kqa n PRO 298 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kqa s HIS 299 N -1.79 2.57 -1.48 6.00 5.65 -1.26 -0.22 115.29 124.75 3kqa s HIS 299 Ca 0.77 1.34 0.00 0.00 0.25 0.00 0.00 55.06 57.42 3kqa s HIS 299 Cb -0.33 -3.80 0.00 0.00 -1.18 0.00 0.00 32.58 27.27 3kqa s HIS 299 CO 0.47 -2.59 0.64 -0.35 -0.65 0.00 0.00 174.74 172.26 3kqa n PRO 300 N -0.23 0.86 -1.50 2.88 -0.04 -1.26 -4.67 135.00 131.05 3kqa n PRO 300 Ca 0.06 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.26 3kqa n PRO 300 Cb 0.43 -1.22 0.18 0.00 -0.04 0.00 0.00 33.50 32.85 3kqa n PRO 300 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kqa n ALA 301 N -0.21 -1.62 -1.69 0.55 0.00 0.69 -4.45 120.51 113.78 3kqa n ALA 301 Ca 0.00 -1.47 -0.44 0.00 0.00 0.00 0.00 53.44 51.52 3kqa n ALA 301 Cb 0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 3kqa n ALA 301 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kqa n PHE 302 N -3.76 2.44 -2.82 0.00 7.35 -1.26 -4.75 117.46 114.67 3kqa n PHE 302 Ca 0.14 0.23 -0.41 0.00 -0.76 0.00 0.00 57.45 56.65 3kqa n PHE 302 Cb 0.50 -2.57 -0.05 0.00 0.35 0.00 0.00 39.48 37.71 3kqa n PHE 302 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3kqa s PRO 303 N 0.65 4.62 0.54 -7.13 0.04 -1.26 -1.44 135.00 131.01 3kqa s PRO 303 Ca 0.75 1.31 0.19 0.00 0.04 0.00 0.00 61.00 63.29 3kqa s PRO 303 Cb -0.61 -3.38 1.40 0.00 0.04 0.00 0.00 34.50 31.96 3kqa s PRO 303 CO 0.39 0.22 2.17 0.00 0.04 0.00 0.00 177.00 179.82 3kqa h THR 304 N 4.12 0.88 0.00 1.26 1.03 -1.92 -1.14 112.91 117.14 3kqa h THR 304 Ca -0.43 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.97 3kqa h THR 304 Cb 1.21 0.99 0.00 0.00 -1.07 0.00 0.00 68.15 69.28 3kqa h THR 304 CO 0.72 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.70 3kqa n ASP 305 N -4.37 0.00 -0.42 0.00 9.92 -1.26 -1.11 116.55 119.31 3kqa n ASP 305 Ca -0.03 0.28 0.05 0.00 -0.53 0.00 0.00 54.79 54.56 3kqa n ASP 305 Cb 0.10 -0.36 0.05 0.00 -0.64 0.00 0.00 41.12 40.27 3kqa n ASP 305 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 3kqa n MET 306 N -1.36 0.65 -0.22 -1.24 2.81 -0.44 -4.76 117.12 112.56 3kqa n MET 306 Ca 0.04 -1.19 -0.08 0.00 -1.81 0.00 0.00 57.70 54.66 3kqa n MET 306 Cb 0.09 -1.20 0.03 0.00 -0.71 0.00 0.00 33.22 31.43 3kqa n MET 306 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 3kqa h GLN 307 N 1.98 0.98 -0.53 0.03 -0.00 -1.11 -1.72 115.11 114.74 3kqa h GLN 307 Ca 0.00 -0.22 -0.12 0.00 -0.00 0.00 0.00 58.65 58.31 3kqa h GLN 307 Cb 0.45 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.78 3kqa h GLN 307 CO 0.00 0.88 -0.14 0.00 0.00 0.00 0.00 178.83 179.57 3kqa h ALA 308 N 1.06 0.75 -0.52 3.38 0.00 -1.86 -0.76 119.26 121.31 3kqa h ALA 308 Ca 0.20 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3kqa h ALA 308 Cb 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3kqa h ALA 308 CO -0.00 0.67 0.24 1.96 0.00 0.00 0.00 179.25 182.12 3kqa h GLN 309 N 0.90 0.76 0.00 0.00 7.50 -1.80 -0.85 115.11 121.63 3kqa h GLN 309 Ca 0.13 -0.12 -0.05 0.00 0.50 0.00 0.00 58.65 59.11 3kqa h GLN 309 Cb 0.72 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 28.11 3kqa h GLN 309 CO 0.05 0.65 -0.24 0.74 -1.50 0.00 0.00 178.83 178.53 3kqa h PHE 310 N 0.70 0.00 -0.28 2.96 -1.00 -1.17 -0.79 116.94 117.35 3kqa h PHE 310 Ca 0.18 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.90 3kqa h PHE 310 Cb 0.15 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.70 3kqa h PHE 310 CO -0.00 0.24 -0.04 1.15 -1.61 0.00 0.00 178.31 178.05 3kqa h THR 311 N 0.00 1.27 -0.65 -1.55 2.02 -0.54 -1.69 112.91 111.77 3kqa h THR 311 Ca -0.00 -1.03 0.03 0.00 0.77 0.00 0.00 66.41 66.17 3kqa h THR 311 Cb 0.74 1.38 -0.04 0.00 -1.74 0.00 0.00 68.15 68.49 3kqa h THR 311 CO 0.03 0.33 0.41 0.25 0.37 0.00 0.00 175.52 176.91 3kqa h LEU 312 N 0.29 0.67 -0.33 2.58 5.85 -0.60 -1.70 115.31 122.08 3kqa h LEU 312 Ca 0.07 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3kqa h LEU 312 Cb 0.50 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 3kqa h LEU 312 CO 0.02 0.47 0.14 0.25 -0.34 0.00 0.00 178.44 178.98 3kqa h LEU 313 N 0.81 0.19 -1.53 2.25 6.46 -0.85 -1.86 115.31 120.78 3kqa h LEU 313 Ca 0.26 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 58.04 3kqa h LEU 313 Cb 0.01 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 3kqa h LEU 313 CO -0.10 0.15 0.20 0.78 -0.62 0.00 0.00 178.44 178.85 3kqa h ASN 314 N 0.30 0.46 0.60 1.25 2.35 -0.89 -2.05 115.58 117.60 3kqa h ASN 314 Ca 0.14 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3kqa h ASN 314 Cb 0.08 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3kqa h ASN 314 CO -0.12 0.38 0.00 0.18 -1.65 0.00 0.00 177.43 176.22 3kqa n LEU 315 N -4.43 0.10 -0.06 1.61 4.77 -0.68 -1.95 117.00 116.36 3kqa n LEU 315 Ca 0.03 0.52 0.03 0.00 -0.03 0.00 0.00 56.01 56.56 3kqa n LEU 315 Cb 0.10 -0.51 0.04 0.00 -2.33 0.00 0.00 43.42 40.73 3kqa n LEU 315 CO 0.36 -0.26 0.47 1.33 -1.33 0.00 0.00 177.39 177.96 3kqa n VAL 316 N -1.61 1.06 -2.58 4.08 0.24 -0.93 -1.55 118.33 117.04 3kqa n VAL 316 Ca 0.04 -1.18 -0.22 0.00 -2.04 0.00 0.00 64.34 60.94 3kqa n VAL 316 Cb 0.20 0.34 0.06 0.00 -1.47 0.00 0.00 33.84 32.98 3kqa n VAL 316 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kqa s ALA 317 N -1.36 3.77 -0.21 2.33 0.00 -0.82 -4.52 121.76 120.96 3kqa s ALA 317 Ca 0.09 -1.42 -0.17 0.00 0.00 0.00 0.00 51.96 50.47 3kqa s ALA 317 Cb 0.08 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 3kqa s ALA 317 CO 0.01 -1.03 0.44 -1.21 0.00 0.00 0.00 175.76 173.97 3kqa s GLU 318 N -4.93 4.16 0.00 0.00 2.02 0.12 -3.86 118.70 116.21 3kqa s GLU 318 Ca 0.60 0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.86 3kqa s GLU 318 Cb -0.09 -3.56 0.00 0.00 0.10 0.00 0.00 34.13 30.58 3kqa s GLU 318 CO 0.41 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.98 3kqa n GLY 319 N 4.01 -1.19 3.39 -1.39 0.00 -1.26 -1.52 105.19 107.23 3kqa n GLY 319 Ca -0.07 -2.15 -0.31 0.00 0.00 0.00 0.00 46.02 43.49 3kqa n GLY 319 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqa s THR 320 N -0.11 2.45 0.09 2.61 2.01 -1.26 -1.36 115.64 120.07 3kqa s THR 320 Ca 0.00 -1.15 0.01 0.00 0.31 0.00 0.00 61.69 60.86 3kqa s THR 320 Cb 0.00 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 3kqa s THR 320 CO 0.00 0.45 -0.03 -0.83 -0.69 0.00 0.00 174.62 173.52 3kqa s GLY 321 N -1.04 0.74 -0.11 4.40 0.00 0.08 -4.63 107.32 106.76 3kqa s GLY 321 Ca 0.12 -1.34 0.02 0.00 0.00 0.00 0.00 44.72 43.52 3kqa s GLY 321 CO 0.02 -1.41 -0.17 0.14 0.00 0.00 0.00 173.10 171.68 3kqa s VAL 322 N -3.77 1.60 -0.18 1.40 1.01 -1.17 -0.38 120.40 118.91 3kqa s VAL 322 Ca 0.13 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 3kqa s VAL 322 Cb 0.06 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 3kqa s VAL 322 CO -0.05 0.46 0.02 -0.63 0.00 0.00 0.00 175.10 174.90 3kqa s ILE 323 N 0.85 4.29 -0.11 2.22 -1.09 -0.10 -0.68 121.20 126.58 3kqa s ILE 323 Ca -0.09 -0.21 0.02 0.00 -2.23 0.00 0.00 60.65 58.14 3kqa s ILE 323 Cb -0.15 -2.92 0.01 0.00 -1.58 0.00 0.00 42.46 37.81 3kqa s ILE 323 CO 0.00 0.45 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.11 3kqa s THR 324 N 0.60 1.60 -0.24 2.92 2.01 0.13 -0.16 115.64 122.49 3kqa s THR 324 Ca 0.01 -0.72 -0.10 0.00 0.31 0.00 0.00 61.69 61.18 3kqa s THR 324 Cb -0.14 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 3kqa s THR 324 CO 0.02 0.46 0.16 -1.61 -0.69 0.00 0.00 174.62 172.96 3kqa s GLU 325 N 0.85 4.06 0.00 4.92 0.41 0.08 -1.31 118.70 127.71 3kqa s GLU 325 Ca -0.09 -0.27 0.02 0.00 -0.41 0.00 0.00 54.97 54.21 3kqa s GLU 325 Cb -0.15 -3.54 0.01 0.00 -1.78 0.00 0.00 34.13 28.66 3kqa s GLU 325 CO 0.00 0.05 0.45 0.25 -0.49 0.00 0.00 175.26 175.52 3kqa n THR 326 N 4.33 0.00 -0.13 3.63 -2.24 -1.24 -4.44 114.28 114.19 3kqa n THR 326 Ca -0.15 -0.49 -0.27 0.00 -2.27 0.00 0.00 64.05 60.87 3kqa n THR 326 Cb 0.52 1.03 -0.11 0.00 -2.10 0.00 0.00 70.33 69.67 3kqa n THR 326 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3kqa n ILE 327 N -0.14 1.53 -3.60 2.28 2.08 -1.26 -4.83 119.36 115.42 3kqa n ILE 327 Ca 0.01 -0.38 -0.29 0.00 0.56 0.00 0.00 62.75 62.65 3kqa n ILE 327 Cb 0.04 -1.83 -0.13 0.00 -0.75 0.00 0.00 39.64 36.97 3kqa n ILE 327 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 3kqa s PHE 328 N -2.49 1.23 -1.86 1.39 0.40 -1.26 -5.02 117.98 110.35 3kqa s PHE 328 Ca -0.37 -1.79 0.00 0.00 -0.60 0.00 0.00 56.93 54.17 3kqa s PHE 328 Cb 0.13 -1.35 0.00 0.00 0.51 0.00 0.00 43.02 42.31 3kqa s PHE 328 CO 0.53 -0.82 0.56 0.39 0.70 0.00 0.00 175.22 176.57 3kqa n GLU 329 N 4.19 0.60 0.00 0.44 1.02 -1.26 -2.68 120.64 122.95 3kqa n GLU 329 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3kqa n GLU 329 Cb 0.38 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 3kqa n GLU 329 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3kqa n ASN 330 N -0.40 0.99 -3.42 1.62 0.23 -1.26 -4.34 115.26 108.68 3kqa n ASN 330 Ca 0.00 -1.44 -0.40 0.00 -0.53 0.00 0.00 54.58 52.21 3kqa n ASN 330 Cb 0.02 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.70 3kqa n ASN 330 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 3kqa n ARG 331 N -0.22 3.82 -0.58 -3.83 0.63 -1.09 -4.41 116.66 110.97 3kqa n ARG 331 Ca 0.00 -2.58 0.06 0.00 -0.92 0.00 0.00 57.85 54.41 3kqa n ARG 331 Cb 0.32 -2.82 0.12 0.00 0.45 0.00 0.00 32.46 30.53 3kqa n ARG 331 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3kqa n PHE 332 N 3.44 0.00 -0.17 -0.14 0.99 -1.26 -4.84 117.46 115.49 3kqa n PHE 332 Ca 0.71 -0.95 0.25 0.00 -0.00 0.00 0.00 57.45 57.46 3kqa n PHE 332 Cb 0.26 -0.17 0.67 0.00 -1.00 0.00 0.00 39.48 39.23 3kqa n PHE 332 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.76 177.28 3kqa h MET 333 N 0.54 0.10 -0.05 -1.08 2.86 -2.02 -1.98 114.93 113.31 3kqa h MET 333 Ca -0.04 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 3kqa h MET 333 Cb 1.22 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 3kqa h MET 333 CO 0.02 0.06 -0.51 1.12 1.06 0.00 0.00 176.91 178.67 3kqa h HIS 334 N 0.10 0.15 -0.01 -0.22 2.07 -1.92 -3.36 115.15 111.96 3kqa h HIS 334 Ca 0.41 -0.05 0.03 0.00 -2.85 0.00 0.00 60.37 57.91 3kqa h HIS 334 Cb 1.46 -0.03 -0.05 0.00 2.57 0.00 0.00 27.41 31.36 3kqa h HIS 334 CO -0.00 0.60 -0.35 0.28 -3.07 0.00 0.00 177.93 175.40 3kqa h VAL 335 N 0.10 0.26 -0.75 6.12 2.07 -1.75 0.12 116.25 122.41 3kqa h VAL 335 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 3kqa h VAL 335 Cb 0.93 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 3kqa h VAL 335 CO 0.07 0.00 0.49 -0.65 0.02 0.00 0.00 177.57 177.50 3kqa h PRO 336 N -0.50 0.64 -0.24 1.57 0.11 -1.75 0.70 132.00 132.52 3kqa h PRO 336 Ca 0.06 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.96 3kqa h PRO 336 Cb 0.59 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 3kqa h PRO 336 CO -0.29 0.42 -0.53 0.93 -0.21 0.00 0.00 178.00 178.32 3kqa h GLU 337 N 0.66 0.72 -0.01 1.05 4.39 -1.50 -2.23 114.58 117.65 3kqa h GLU 337 Ca 0.34 -0.45 -0.13 0.00 0.34 0.00 0.00 59.36 59.46 3kqa h GLU 337 Cb 0.46 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 3kqa h GLU 337 CO -0.12 1.07 -0.63 -0.07 -1.16 0.00 0.00 179.01 178.10 3kqa h LEU 338 N 0.56 0.03 -1.01 1.33 3.38 -0.11 -2.60 115.31 116.88 3kqa h LEU 338 Ca 0.02 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3kqa h LEU 338 Cb 1.11 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3kqa h LEU 338 CO 0.11 0.65 -0.23 0.40 0.09 0.00 0.00 178.44 179.45 3kqa h ILE 339 N 0.02 1.25 0.00 1.22 2.04 -0.72 0.20 117.51 121.51 3kqa h ILE 339 Ca -0.01 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.65 3kqa h ILE 339 Cb 1.11 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 3kqa h ILE 339 CO 0.08 0.38 0.00 0.54 0.00 0.00 0.00 178.15 179.15 3kqa n ARG 340 N -4.14 0.20 -0.27 2.37 1.74 -0.85 -1.62 116.66 114.08 3kqa n ARG 340 Ca -0.00 0.12 0.10 0.00 -0.77 0.00 0.00 57.85 57.30 3kqa n ARG 340 Cb 0.38 -1.50 0.25 0.00 -1.02 0.00 0.00 32.46 30.57 3kqa n ARG 340 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3kqa n MET 341 N -1.35 2.61 0.00 5.56 2.81 -0.02 -4.81 117.12 121.91 3kqa n MET 341 Ca 0.08 -2.38 0.00 0.00 -1.81 0.00 0.00 57.70 53.59 3kqa n MET 341 Cb 0.18 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 3kqa n MET 341 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kqa n GLY 342 N 1.34 0.65 3.73 3.03 0.00 -0.64 0.91 105.19 114.21 3kqa n GLY 342 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 3kqa n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa s ALA 343 N -2.00 1.31 -0.13 4.61 0.00 -0.71 -4.94 121.76 119.90 3kqa s ALA 343 Ca 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 3kqa s ALA 343 Cb 0.00 -3.03 0.04 0.00 0.00 0.00 0.00 23.12 20.13 3kqa s ALA 343 CO 0.00 -2.69 0.01 -1.01 0.00 0.00 0.00 175.76 172.07 3kqa s HIS 344 N -3.15 0.93 -0.09 0.00 0.09 -1.26 -4.60 115.29 107.20 3kqa s HIS 344 Ca 0.66 -0.54 -0.30 0.00 -0.00 0.00 0.00 55.06 54.88 3kqa s HIS 344 Cb -0.15 -0.95 0.08 0.00 -0.00 0.00 0.00 32.58 31.55 3kqa s HIS 344 CO 0.55 -0.47 0.72 0.00 -0.00 0.00 0.00 174.74 175.54 3kqa s ALA 345 N 1.89 -1.79 -0.04 -1.40 0.00 -1.26 -2.00 121.76 117.15 3kqa s ALA 345 Ca 0.02 1.45 0.06 0.00 0.00 0.00 0.00 51.96 53.49 3kqa s ALA 345 Cb -0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 3kqa s ALA 345 CO -0.07 -0.36 -0.21 -1.21 0.00 0.00 0.00 175.76 173.92 3kqa s GLU 346 N -0.95 2.37 -0.23 0.00 8.01 -0.37 -4.94 118.70 122.60 3kqa s GLU 346 Ca -0.08 -0.83 -0.08 0.00 0.01 0.00 0.00 54.97 53.99 3kqa s GLU 346 Cb -0.01 -2.21 -0.04 0.00 -4.31 0.00 0.00 34.13 27.56 3kqa s GLU 346 CO 0.08 0.55 0.10 0.42 0.01 0.00 0.00 175.26 176.41 3kqa s ILE 347 N -0.56 4.77 -0.41 -1.63 1.01 -1.26 -0.24 121.20 122.88 3kqa s ILE 347 Ca 0.08 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.72 3kqa s ILE 347 Cb -0.11 -3.21 0.12 0.00 0.01 0.00 0.00 42.46 39.27 3kqa s ILE 347 CO 0.00 0.37 0.19 -1.61 0.00 0.00 0.00 174.94 173.89 3kqa s GLU 348 N 1.14 1.31 7.69 2.79 0.41 -0.05 -5.01 118.70 126.99 3kqa s GLU 348 Ca 0.05 -1.89 0.00 0.00 -0.41 0.00 0.00 54.97 52.72 3kqa s GLU 348 Cb -0.14 -2.55 0.00 0.00 -1.78 0.00 0.00 34.13 29.66 3kqa s GLU 348 CO 0.04 -1.09 0.00 0.45 -0.49 0.00 0.00 175.26 174.17 3kqa n SER 349 N 3.84 0.00 -2.00 -0.19 2.88 -1.26 -2.27 113.62 114.62 3kqa n SER 349 Ca 0.05 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.49 3kqa n SER 349 Cb 0.37 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 64.09 3kqa n SER 349 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3kqa n ASN 350 N 9.34 4.46 -4.08 -3.46 6.94 -1.26 -4.86 115.26 122.33 3kqa n ASN 350 Ca 0.00 -3.23 -0.07 0.00 -0.02 0.00 0.00 54.58 51.26 3kqa n ASN 350 Cb 0.00 -0.76 -0.10 0.00 -2.36 0.00 0.00 39.78 36.56 3kqa n ASN 350 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3kqa s THR 351 N -2.89 0.21 -0.09 5.53 -4.23 -0.96 -0.74 115.64 112.47 3kqa s THR 351 Ca 0.52 -1.74 0.02 0.00 -1.18 0.00 0.00 61.69 59.31 3kqa s THR 351 Cb 0.42 -1.42 0.02 0.00 1.34 0.00 0.00 72.50 72.85 3kqa s THR 351 CO 0.12 -0.96 -0.12 -0.69 -0.54 0.00 0.00 174.62 172.43 3kqa s VAL 352 N -3.73 1.21 -0.30 2.29 1.01 0.77 -0.87 120.40 120.78 3kqa s VAL 352 Ca 0.05 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 3kqa s VAL 352 Cb 0.07 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 3kqa s VAL 352 CO -0.09 0.38 0.43 -0.63 0.00 0.00 0.00 175.10 175.19 3kqa s ILE 353 N 0.95 5.12 -0.11 2.22 -1.09 0.67 -0.92 121.20 128.04 3kqa s ILE 353 Ca -0.09 0.50 -0.02 0.00 -2.23 0.00 0.00 60.65 58.81 3kqa s ILE 353 Cb -0.15 -3.80 -0.03 0.00 -1.58 0.00 0.00 42.46 36.90 3kqa s ILE 353 CO 0.00 0.02 -0.02 0.00 -1.23 0.00 0.00 174.94 173.71 3kqa s HIS 355 N -0.38 3.15 0.16 0.00 3.76 -0.85 -0.74 115.29 120.39 3kqa s HIS 355 Ca 0.07 -2.90 -0.34 0.00 -0.15 0.00 0.00 55.06 51.74 3kqa s HIS 355 Cb -0.12 -2.66 -0.15 0.00 1.11 0.00 0.00 32.58 30.76 3kqa s HIS 355 CO 0.02 -0.84 1.33 0.41 -0.85 0.00 0.00 174.74 174.81 3kqa n GLY 356 N 3.77 0.48 3.84 -2.22 0.00 -0.47 -4.33 105.19 106.27 3kqa n GLY 356 Ca 0.04 0.59 -0.22 0.00 0.00 0.00 0.00 46.02 46.43 3kqa n GLY 356 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kqa s VAL 357 N 0.19 2.53 -0.04 1.61 -7.23 -0.60 -4.66 120.40 112.20 3kqa s VAL 357 Ca 0.76 -1.44 -0.20 0.00 -1.81 0.00 0.00 61.98 59.29 3kqa s VAL 357 Cb -0.81 -2.97 -0.14 0.00 0.56 0.00 0.00 36.38 33.02 3kqa s VAL 357 CO 0.48 0.00 0.85 -0.08 -0.31 0.00 0.00 175.10 176.04 3kqa h GLU 358 N 1.12 -0.31 -3.96 4.82 4.81 -1.88 -3.40 114.58 115.78 3kqa h GLU 358 Ca -0.42 0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 58.61 3kqa h GLU 358 Cb 1.26 0.07 -0.25 0.00 0.63 0.00 0.00 28.75 30.46 3kqa h GLU 358 CO 0.61 0.04 -0.72 -1.59 -0.73 0.00 0.00 179.01 176.62 3kqa s LYS 359 N -3.53 0.20 0.47 1.92 -2.85 -1.26 -5.00 119.74 109.69 3kqa s LYS 359 Ca -0.12 -0.29 -0.01 0.00 -1.00 0.00 0.00 55.97 54.56 3kqa s LYS 359 Cb 0.01 -0.05 -0.00 0.00 -2.06 0.00 0.00 37.83 35.73 3kqa s LYS 359 CO 0.42 0.00 0.70 -0.51 0.10 0.00 0.00 175.35 176.07 3kqa s LEU 360 N -0.62 3.60 0.04 2.77 1.43 -1.26 -4.92 118.68 119.72 3kqa s LEU 360 Ca -0.06 0.37 0.09 0.00 -1.03 0.00 0.00 54.13 53.50 3kqa s LEU 360 Cb -0.04 -3.24 -0.03 0.00 0.03 0.00 0.00 46.19 42.91 3kqa s LEU 360 CO -0.00 -0.74 -0.25 -0.44 0.23 0.00 0.00 176.35 175.15 3kqa s SER 361 N -4.22 3.25 0.59 2.29 0.01 0.26 -0.41 113.70 115.46 3kqa s SER 361 Ca 0.49 -0.57 -0.20 0.00 1.31 0.00 0.00 55.95 56.98 3kqa s SER 361 Cb -0.10 -0.33 -0.03 0.00 0.21 0.00 0.00 66.02 65.77 3kqa s SER 361 CO 0.39 0.26 1.31 -0.83 0.41 0.00 0.00 173.24 174.78 3kqa s GLY 362 N -1.25 2.86 0.28 3.44 0.00 0.56 -4.49 107.32 108.72 3kqa s GLY 362 Ca 0.12 1.23 -0.21 0.00 0.00 0.00 0.00 44.72 45.87 3kqa s GLY 362 CO 0.02 1.70 0.76 0.00 0.00 0.00 0.00 173.10 175.58 3kqa s ALA 363 N -1.38 -1.19 -0.24 3.20 0.00 -1.16 -4.87 121.76 116.12 3kqa s ALA 363 Ca 0.76 -0.34 -0.17 0.00 0.00 0.00 0.00 51.96 52.21 3kqa s ALA 363 Cb -0.38 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 3kqa s ALA 363 CO 0.42 -1.03 0.48 -0.65 0.00 0.00 0.00 175.76 174.98 3kqa s GLN 364 N -3.59 4.11 0.25 0.00 -0.21 -1.26 -1.77 119.66 117.19 3kqa s GLN 364 Ca 0.12 0.29 0.02 0.00 0.02 0.00 0.00 55.36 55.81 3kqa s GLN 364 Cb -0.05 -3.61 -0.04 0.00 1.00 0.00 0.00 33.01 30.30 3kqa s GLN 364 CO 0.07 -0.25 0.16 0.14 -2.12 0.00 0.00 175.29 173.29 3kqa s VAL 365 N 1.98 0.13 -0.19 1.09 -7.23 0.12 -4.94 120.40 111.35 3kqa s VAL 365 Ca 0.21 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.08 3kqa s VAL 365 Cb -0.15 -2.52 0.14 0.00 0.56 0.00 0.00 36.38 34.41 3kqa s VAL 365 CO 0.09 0.00 1.06 -0.32 -0.31 0.00 0.00 175.10 175.62 3kqa s MET 366 N -3.93 0.50 -0.04 4.82 0.00 -1.26 -1.54 119.30 117.85 3kqa s MET 366 Ca 0.38 0.16 -0.13 0.00 0.00 0.00 0.00 55.69 56.10 3kqa s MET 366 Cb 0.06 0.24 0.02 0.00 0.00 0.00 0.00 34.83 35.15 3kqa s MET 366 CO 0.16 -0.15 0.30 0.00 0.00 0.00 0.00 175.02 175.34 3kqa s ALA 367 N -0.97 -0.76 -1.59 4.11 0.00 -1.26 -4.96 121.76 116.32 3kqa s ALA 367 Ca 0.00 0.45 0.24 0.00 0.00 0.00 0.00 51.96 52.66 3kqa s ALA 367 Cb -0.01 -0.09 0.34 0.00 0.00 0.00 0.00 23.12 23.37 3kqa s ALA 367 CO -0.01 -0.23 1.30 0.25 0.00 0.00 0.00 175.76 177.08 3kqa n THR 368 N 1.73 0.00 -3.44 0.00 -2.24 -1.26 -4.63 114.28 104.44 3kqa n THR 368 Ca -0.19 -0.12 -0.37 0.00 -2.27 0.00 0.00 64.05 61.09 3kqa n THR 368 Cb 0.56 0.71 -0.06 0.00 -2.10 0.00 0.00 70.33 69.44 3kqa n THR 368 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kqa s ASP 369 N -2.66 6.59 0.23 3.42 2.15 -1.26 -4.96 116.67 120.18 3kqa s ASP 369 Ca 0.18 0.70 -0.11 0.00 0.43 0.00 0.00 52.55 53.75 3kqa s ASP 369 Cb 0.18 -2.23 0.31 0.00 -0.30 0.00 0.00 42.92 40.88 3kqa s ASP 369 CO 0.62 0.10 1.62 0.25 -0.17 0.00 0.00 175.17 177.59 3kqa h LEU 370 N 6.38 -0.54 -0.24 -1.34 5.85 -1.89 0.11 115.31 123.65 3kqa h LEU 370 Ca -0.43 0.20 -0.13 0.00 0.84 0.00 0.00 57.88 58.36 3kqa h LEU 370 Cb 1.18 0.39 -0.00 0.00 0.37 0.00 0.00 40.66 42.60 3kqa h LEU 370 CO 0.73 -0.21 -0.34 0.03 -0.34 0.00 0.00 178.44 178.31 3kqa h ARG 371 N 0.03 0.66 -0.43 1.25 2.47 -1.94 -1.57 114.38 114.85 3kqa h ARG 371 Ca 0.35 -0.38 -0.06 0.00 -1.26 0.00 0.00 59.98 58.62 3kqa h ARG 371 Cb 0.56 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.89 3kqa h ARG 371 CO -0.68 1.00 0.01 0.00 0.56 0.00 0.00 179.97 180.86 3kqa h ALA 372 N 0.65 1.21 -0.30 0.04 0.00 -1.86 -0.72 119.26 118.28 3kqa h ALA 372 Ca 0.03 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 3kqa h ALA 372 Cb 0.93 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3kqa h ALA 372 CO 0.08 0.52 -0.11 1.03 0.00 0.00 0.00 179.25 180.77 3kqa h SER 373 N 0.66 0.61 -0.75 0.00 0.87 -0.64 -1.75 113.55 112.55 3kqa h SER 373 Ca 0.13 -0.39 -0.01 0.00 -1.23 0.00 0.00 61.79 60.29 3kqa h SER 373 Cb 0.39 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 3kqa h SER 373 CO 0.01 0.86 0.42 0.00 -0.53 0.00 0.00 176.83 177.60 3kqa h ALA 374 N 0.77 1.31 -0.57 6.23 0.00 -1.06 -1.83 119.26 124.11 3kqa h ALA 374 Ca 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3kqa h ALA 374 Cb 0.61 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3kqa h ALA 374 CO 0.04 0.57 0.22 0.77 0.00 0.00 0.00 179.25 180.85 3kqa h SER 375 N 1.06 0.75 0.28 0.00 0.02 -0.74 -1.23 113.55 113.70 3kqa h SER 375 Ca 0.27 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 61.01 3kqa h SER 375 Cb 0.02 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 3kqa h SER 375 CO -0.04 0.67 -0.46 -0.07 -1.14 0.00 0.00 176.83 175.79 3kqa h LEU 376 N 0.81 0.23 -0.31 5.07 3.38 -0.59 -0.34 115.31 123.57 3kqa h LEU 376 Ca 0.19 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3kqa h LEU 376 Cb 0.16 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3kqa h LEU 376 CO -0.02 0.66 -0.07 0.58 0.09 0.00 0.00 178.44 179.68 3kqa h VAL 377 N 0.18 1.28 -0.83 1.22 2.07 -0.52 -1.54 116.25 118.10 3kqa h VAL 377 Ca 0.01 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.45 3kqa h VAL 377 Cb 0.88 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 3kqa h VAL 377 CO 0.07 0.36 0.54 -0.07 0.02 0.00 0.00 177.57 178.48 3kqa h LEU 378 N 0.36 0.90 -1.03 2.57 3.38 -1.03 -1.20 115.31 119.25 3kqa h LEU 378 Ca 0.08 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3kqa h LEU 378 Cb 0.56 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3kqa h LEU 378 CO 0.03 0.62 0.31 0.00 0.09 0.00 0.00 178.44 179.50 3kqa h ALA 379 N 1.34 1.24 -0.27 1.53 0.00 -0.88 -1.37 119.26 120.86 3kqa h ALA 379 Ca 0.33 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3kqa h ALA 379 Cb -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3kqa h ALA 379 CO -0.11 0.57 -0.08 0.78 0.00 0.00 0.00 179.25 180.42 3kqa h GLY 380 N 1.06 0.46 1.48 0.00 0.00 -0.34 0.80 103.07 106.52 3kqa h GLY 380 Ca 0.24 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 3kqa h GLY 380 CO -0.03 0.26 0.20 0.00 0.00 0.00 0.00 176.54 176.98 3kqa n ILE 382 N -4.36 0.00 -2.51 0.00 -5.35 -1.00 -0.55 119.36 105.59 3kqa n ILE 382 Ca 0.04 -0.19 -0.32 0.00 -0.27 0.00 0.00 62.75 62.00 3kqa n ILE 382 Cb 0.14 1.15 -0.04 0.00 -1.74 0.00 0.00 39.64 39.15 3kqa n ILE 382 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kqa s ALA 383 N -2.52 3.03 -0.03 -1.28 0.00 0.24 -4.52 121.76 116.69 3kqa s ALA 383 Ca 0.13 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.07 3kqa s ALA 383 Cb 0.16 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 3kqa s ALA 383 CO 0.63 -0.16 1.24 -2.00 0.00 0.00 0.00 175.76 175.48 3kqa s GLU 384 N -3.77 4.35 1.11 0.00 2.56 0.45 -2.74 118.70 120.65 3kqa s GLU 384 Ca 0.60 1.75 0.00 0.00 0.00 0.00 0.00 54.97 57.32 3kqa s GLU 384 Cb -0.10 -3.53 0.00 0.00 2.00 0.00 0.00 34.13 32.49 3kqa s GLU 384 CO 0.26 -0.45 0.00 0.41 -0.56 0.00 0.00 175.26 174.92 3kqa n GLY 385 N 3.41 -0.07 3.62 -1.50 0.00 -1.07 -0.32 105.19 109.26 3kqa n GLY 385 Ca 0.11 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 3kqa n GLY 385 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqa s THR 386 N 0.00 4.13 0.04 2.61 2.01 -1.26 -0.67 115.64 122.49 3kqa s THR 386 Ca 0.00 -0.30 0.07 0.00 0.31 0.00 0.00 61.69 61.77 3kqa s THR 386 Cb 0.00 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.74 3kqa s THR 386 CO 0.00 0.57 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.41 3kqa s THR 387 N -0.56 1.66 -0.21 -0.82 2.01 0.30 -2.97 115.64 115.06 3kqa s THR 387 Ca 0.09 -1.16 0.01 0.00 0.31 0.00 0.00 61.69 60.93 3kqa s THR 387 Cb -0.12 -1.44 0.05 0.00 0.01 0.00 0.00 72.50 71.00 3kqa s THR 387 CO 0.02 0.23 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.42 3kqa s VAL 388 N -0.77 1.52 -0.31 3.82 1.01 -0.73 -1.01 120.40 123.93 3kqa s VAL 388 Ca 0.07 -1.03 -0.12 0.00 0.00 0.00 0.00 61.98 60.91 3kqa s VAL 388 Cb -0.09 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 3kqa s VAL 388 CO 0.01 0.07 0.22 -0.69 0.00 0.00 0.00 175.10 174.71 3kqa s VAL 389 N 1.43 5.30 0.36 2.92 1.01 -0.25 -0.70 120.40 130.46 3kqa s VAL 389 Ca -0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 3kqa s VAL 389 Cb -0.17 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3kqa s VAL 389 CO -0.07 0.11 0.62 -0.62 0.00 0.00 0.00 175.10 175.13 3kqa s ASP 390 N 1.74 6.35 -1.25 3.32 2.15 -0.59 -0.77 116.67 127.62 3kqa s ASP 390 Ca 0.07 0.69 -0.03 0.00 0.43 0.00 0.00 52.55 53.71 3kqa s ASP 390 Cb -0.17 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.32 3kqa s ASP 390 CO 0.11 -0.33 1.02 0.54 -0.17 0.00 0.00 175.17 176.34 3kqa n ARG 391 N -1.57 -6.80 0.00 4.34 1.74 -1.14 -4.53 116.66 108.69 3kqa n ARG 391 Ca -0.02 0.82 0.11 0.00 -0.77 0.00 0.00 57.85 57.99 3kqa n ARG 391 Cb 0.55 -5.81 0.60 0.00 -1.02 0.00 0.00 32.46 26.78 3kqa n ARG 391 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3kqa n ILE 392 N -4.37 0.11 0.32 0.55 -5.35 -1.15 -3.26 119.36 106.22 3kqa n ILE 392 Ca -0.21 0.03 0.21 0.00 -0.27 0.00 0.00 62.75 62.51 3kqa n ILE 392 Cb 0.64 -0.69 1.08 0.00 -1.74 0.00 0.00 39.64 38.93 3kqa n ILE 392 CO 0.00 0.00 0.00 0.10 -1.76 0.00 0.00 176.55 174.89 3kqa h TYR 393 N 0.00 0.00 -0.46 4.28 -0.00 -1.90 -0.35 116.97 118.54 3kqa h TYR 393 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.62 3kqa h TYR 393 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.78 3kqa h TYR 393 CO 0.00 0.00 -0.15 0.45 -0.00 0.00 0.00 178.16 178.46 3kqa h HIS 394 N 0.00 1.03 -0.35 0.10 3.86 -1.92 -2.26 115.15 115.61 3kqa h HIS 394 Ca 0.00 -0.23 -0.05 0.00 -1.16 0.00 0.00 60.37 58.92 3kqa h HIS 394 Cb 0.12 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 3kqa h HIS 394 CO 0.00 1.02 0.01 0.82 0.86 0.00 0.00 177.93 180.64 3kqa h ILE 395 N 0.75 1.25 -0.63 2.45 2.04 -1.37 -2.91 117.51 119.09 3kqa h ILE 395 Ca 0.11 -0.94 0.10 0.00 1.00 0.00 0.00 64.86 65.13 3kqa h ILE 395 Cb 0.71 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 3kqa h ILE 395 CO 0.05 0.31 0.42 0.44 0.00 0.00 0.00 178.15 179.38 3kqa h ASP 396 N 0.42 0.42 1.47 1.72 3.32 -1.07 0.38 116.42 123.07 3kqa h ASP 396 Ca 0.10 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3kqa h ASP 396 Cb 0.43 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 3kqa h ASP 396 CO 0.02 0.26 -0.07 0.03 -1.72 0.00 0.00 179.24 177.75 3kqa h ARG 397 N 0.47 0.00 -0.00 3.56 3.08 -1.21 -3.36 114.38 116.92 3kqa h ARG 397 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3kqa h ARG 397 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3kqa h ARG 397 CO -0.09 0.07 -0.00 0.41 -1.07 0.00 0.00 179.97 179.29 3kqa n GLY 398 N 0.60 0.46 3.13 0.04 0.00 -0.69 -4.59 105.19 104.14 3kqa n GLY 398 Ca 0.02 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 3kqa n GLY 398 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqa s TYR 399 N -0.79 1.88 -0.14 1.61 1.51 0.04 -4.95 117.35 116.50 3kqa s TYR 399 Ca 0.00 -0.64 -0.24 0.00 -1.01 0.00 0.00 57.07 55.18 3kqa s TYR 399 Cb 0.00 -1.28 -0.02 0.00 -0.11 0.00 0.00 41.96 40.54 3kqa s TYR 399 CO 0.00 -0.25 0.76 -2.00 -1.11 0.00 0.00 175.55 172.95 3kqa s GLU 400 N 0.26 4.32 -1.54 -0.62 2.12 -1.26 -4.28 118.70 117.70 3kqa s GLU 400 Ca -0.10 0.92 -0.01 0.00 0.36 0.00 0.00 54.97 56.14 3kqa s GLU 400 Cb -0.14 -3.54 0.00 0.00 0.26 0.00 0.00 34.13 30.71 3kqa s GLU 400 CO 0.04 -0.20 0.02 0.54 -0.54 0.00 0.00 175.26 175.12 3kqa n ARG 401 N 4.79 -1.01 0.21 4.30 1.74 -1.26 -4.79 116.66 120.65 3kqa n ARG 401 Ca 0.02 0.10 0.06 0.00 -0.77 0.00 0.00 57.85 57.26 3kqa n ARG 401 Cb 0.50 -3.59 0.55 0.00 -1.02 0.00 0.00 32.46 28.89 3kqa n ARG 401 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3kqa h ILE 402 N -1.81 1.07 -0.28 0.55 2.10 -1.94 -2.18 117.51 115.04 3kqa h ILE 402 Ca -0.66 -0.32 -0.02 0.00 1.08 0.00 0.00 64.86 64.94 3kqa h ILE 402 Cb 1.40 1.10 -0.01 0.00 -1.09 0.00 0.00 36.82 38.21 3kqa h ILE 402 CO 0.70 0.10 0.11 -0.08 -1.08 0.00 0.00 178.15 177.91 3kqa h GLU 403 N 0.07 0.41 -0.38 2.19 4.81 -1.95 -1.59 114.58 118.14 3kqa h GLU 403 Ca 0.02 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 3kqa h GLU 403 Cb 0.15 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3kqa h GLU 403 CO 0.01 0.43 0.03 -0.44 -0.73 0.00 0.00 179.01 178.31 3kqa h ASP 404 N 0.30 0.63 -0.99 1.04 3.32 -1.87 -2.20 116.42 116.65 3kqa h ASP 404 Ca 0.09 -0.29 0.04 0.00 0.02 0.00 0.00 57.03 56.89 3kqa h ASP 404 Cb 0.17 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.50 3kqa h ASP 404 CO -0.01 0.76 0.65 0.11 -1.72 0.00 0.00 179.24 179.03 3kqa h LYS 405 N 0.48 1.20 -0.06 3.56 1.57 -1.18 -1.02 116.57 121.12 3kqa h LYS 405 Ca 0.11 -0.07 -0.22 0.00 -1.87 0.00 0.00 60.65 58.60 3kqa h LYS 405 Cb 0.42 -0.27 0.01 0.00 0.08 0.00 0.00 32.23 32.47 3kqa h LYS 405 CO 0.01 0.80 -0.86 -0.07 -0.57 0.00 0.00 179.45 178.76 3kqa h LEU 406 N 1.24 0.71 -0.87 2.94 3.38 -1.26 -2.96 115.31 118.48 3kqa h LEU 406 Ca 0.40 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3kqa h LEU 406 Cb 0.02 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3kqa h LEU 406 CO -0.13 1.30 0.51 -0.09 0.09 0.00 0.00 178.44 180.12 3kqa h ARG 407 N 0.36 1.20 0.00 1.13 2.43 -0.96 0.18 114.38 118.71 3kqa h ARG 407 Ca -0.07 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 3kqa h ARG 407 Cb 1.49 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3kqa h ARG 407 CO 0.16 0.85 0.00 0.00 -1.51 0.00 0.00 179.97 179.47 3kqa h ALA 408 N 1.28 1.00 -0.02 2.80 0.00 -1.11 -1.18 119.26 122.02 3kqa h ALA 408 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3kqa h ALA 408 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kqa h ALA 408 CO -0.06 0.00 -0.08 1.28 0.00 0.00 0.00 179.25 180.40 3kqa n LEU 409 N -2.48 1.87 0.00 0.00 4.77 -0.10 -4.74 117.00 116.32 3kqa n LEU 409 Ca 0.01 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 3kqa n LEU 409 Cb 0.20 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3kqa n LEU 409 CO 0.19 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3kqa n GLY 410 N 1.27 1.18 3.79 -0.72 0.00 -0.45 -1.12 105.19 109.14 3kqa n GLY 410 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3kqa n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa s ALA 411 N -2.00 2.96 -0.69 4.61 0.00 0.44 -4.76 121.76 122.32 3kqa s ALA 411 Ca 0.00 0.67 -0.09 0.00 0.00 0.00 0.00 51.96 52.54 3kqa s ALA 411 Cb 0.00 -3.27 0.18 0.00 0.00 0.00 0.00 23.12 20.03 3kqa s ALA 411 CO 0.00 -0.30 0.57 1.21 0.00 0.00 0.00 175.76 177.24 3kqa s ASN 412 N -1.77 6.01 0.04 0.00 3.84 -1.26 -4.46 114.94 117.34 3kqa s ASN 412 Ca 0.63 -2.60 0.02 0.00 0.21 0.00 0.00 52.86 51.13 3kqa s ASN 412 Cb -0.19 -2.05 -0.02 0.00 -0.55 0.00 0.00 41.25 38.43 3kqa s ASN 412 CO 0.24 -0.53 -0.08 -0.51 -2.79 0.00 0.00 177.10 173.44 3kqa s ILE 413 N 0.32 0.53 -0.12 -5.21 2.07 -1.26 -0.22 121.20 117.30 3kqa s ILE 413 Ca 0.15 -1.11 -0.11 0.00 -1.41 0.00 0.00 60.65 58.18 3kqa s ILE 413 Cb -0.17 -0.64 0.03 0.00 0.13 0.00 0.00 42.46 41.81 3kqa s ILE 413 CO -0.05 -0.41 0.32 -0.70 -1.91 0.00 0.00 174.94 172.19 3kqa s GLU 414 N -1.67 0.36 0.02 3.50 2.12 -0.33 -4.97 118.70 117.73 3kqa s GLU 414 Ca -0.09 0.48 -0.22 0.00 0.36 0.00 0.00 54.97 55.49 3kqa s GLU 414 Cb -0.09 0.14 -0.05 0.00 0.26 0.00 0.00 34.13 34.38 3kqa s GLU 414 CO 0.00 -0.06 0.67 0.50 -0.54 0.00 0.00 175.26 175.83 3kqa s ARG 415 N 0.34 4.39 -0.23 4.30 3.52 -1.26 -0.04 118.95 129.98 3kqa s ARG 415 Ca -0.01 0.88 0.01 0.00 -0.13 0.00 0.00 55.73 56.47 3kqa s ARG 415 Cb -0.03 -3.35 0.03 0.00 -1.56 0.00 0.00 34.95 30.04 3kqa s ARG 415 CO -0.01 0.35 -0.12 0.08 -0.81 0.00 0.00 175.30 174.78 3kqa s VAL 416 N -0.19 2.40 0.00 7.11 1.01 0.14 -4.94 120.40 125.93 3kqa s VAL 416 Ca 0.34 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3kqa s VAL 416 Cb -0.19 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 33.99 3kqa s VAL 416 CO 0.20 0.27 0.00 0.29 0.00 0.00 0.00 175.10 175.86 3kqa n LYS 417 N 4.59 0.47 0.00 2.72 4.76 -1.26 -0.90 118.16 128.54 3kqa n LYS 417 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 3kqa n LYS 417 Cb 0.47 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.66 3kqa n LYS 417 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kqa n GLY 418 N 5.00 1.69 0.00 0.72 0.00 -1.26 -4.89 105.19 106.45 3kqa n GLY 418 Ca 0.00 -0.29 0.16 0.00 0.00 0.00 0.00 46.02 45.89 3kqa n GLY 418 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48