#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m4x s LEU 8 N 0.00 3.88 0.18 3.22 1.43 -1.26 -5.01 118.68 121.12 3m4x s LEU 8 Ca 0.00 2.07 -0.31 0.00 -1.03 0.00 0.00 54.13 54.87 3m4x s LEU 8 Cb 0.00 -4.48 -0.09 0.00 0.03 0.00 0.00 46.19 41.66 3m4x s LEU 8 CO 0.00 -0.90 1.37 -2.84 0.23 0.00 0.00 176.35 174.21 3m4x s PRO 9 N -3.08 4.34 0.27 1.29 0.02 -1.26 -4.92 135.00 131.65 3m4x s PRO 9 Ca 0.67 2.12 -0.00 0.00 0.02 0.00 0.00 61.00 63.81 3m4x s PRO 9 Cb -0.21 -3.19 0.56 0.00 0.02 0.00 0.00 34.50 31.67 3m4x s PRO 9 CO 0.25 -0.36 1.76 1.96 -0.33 0.00 0.00 177.00 180.27 3m4x h GLN 10 N 5.87 0.59 -0.22 5.54 7.50 -1.99 -0.52 115.11 131.88 3m4x h GLN 10 Ca -0.44 -0.04 -0.07 0.00 0.50 0.00 0.00 58.65 58.60 3m4x h GLN 10 Cb 1.21 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 28.60 3m4x h GLN 10 CO 0.81 0.39 -0.19 1.96 -1.50 0.00 0.00 178.83 180.30 3m4x h GLN 11 N 0.61 0.38 -0.13 1.46 1.08 -2.00 -1.76 115.11 114.75 3m4x h GLN 11 Ca 0.47 -0.12 -0.04 0.00 -1.45 0.00 0.00 58.65 57.52 3m4x h GLN 11 Cb 0.70 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.09 3m4x h GLN 11 CO -0.38 0.56 -0.05 0.35 -0.95 0.00 0.00 178.83 178.36 3m4x h PHE 12 N 0.35 0.31 -0.54 2.96 3.57 -1.53 -1.87 116.94 120.18 3m4x h PHE 12 Ca 0.06 -0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.56 3m4x h PHE 12 Cb 0.54 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.15 3m4x h PHE 12 CO 0.01 0.60 0.22 0.82 -2.23 0.00 0.00 178.31 177.73 3m4x h ILE 13 N -0.06 0.84 -0.25 1.41 2.04 -0.95 -1.45 117.51 119.09 3m4x h ILE 13 Ca 0.03 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 3m4x h ILE 13 Cb 0.51 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3m4x h ILE 13 CO 0.02 0.08 0.08 0.11 0.00 0.00 0.00 178.15 178.43 3m4x h LYS 14 N 0.41 0.39 -0.21 2.37 1.57 -1.34 -0.47 116.57 119.30 3m4x h LYS 14 Ca 0.26 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 3m4x h LYS 14 Cb 0.27 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 3m4x h LYS 14 CO -0.24 0.47 -0.10 -0.22 -0.57 0.00 0.00 179.45 178.78 3m4x h LYS 15 N 0.23 -0.08 0.00 3.15 3.64 -0.97 -2.26 116.57 120.29 3m4x h LYS 15 Ca 0.08 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3m4x h LYS 15 Cb 0.24 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3m4x h LYS 15 CO -0.00 -0.05 -0.24 1.88 -2.27 0.00 0.00 179.45 178.77 3m4x h TYR 16 N -0.08 0.00 0.08 1.91 -1.99 -1.27 -1.53 116.97 114.09 3m4x h TYR 16 Ca 0.11 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.85 3m4x h TYR 16 Cb 0.25 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.97 3m4x h TYR 16 CO -0.27 0.04 -0.13 0.00 -0.00 0.00 0.00 178.16 177.80 3m4x h ARG 17 N 0.00 -0.25 -0.61 4.88 3.08 -0.84 -0.78 114.38 119.86 3m4x h ARG 17 Ca -0.00 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3m4x h ARG 17 Cb 1.03 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.11 3m4x h ARG 17 CO 0.00 -0.16 0.24 -0.07 -1.07 0.00 0.00 179.97 178.91 3m4x h LEU 18 N -0.26 0.85 -0.38 3.04 3.38 -1.23 -0.91 115.31 119.80 3m4x h LEU 18 Ca 0.02 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.66 3m4x h LEU 18 Cb 0.27 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3m4x h LEU 18 CO -0.07 0.79 -0.37 -0.07 0.09 0.00 0.00 178.44 178.80 3m4x h LEU 19 N 0.86 0.99 0.00 1.67 -0.00 -1.25 -3.34 115.31 114.23 3m4x h LEU 19 Ca 0.20 -0.46 -0.02 0.00 -0.00 0.00 0.00 57.88 57.60 3m4x h LEU 19 Cb 0.21 -0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 40.58 3m4x h LEU 19 CO -0.02 1.25 -1.76 0.18 -0.00 0.00 0.00 178.44 178.09 3m4x n LEU 20 N -4.08 0.23 0.00 1.67 4.77 -0.30 -5.06 117.00 114.23 3m4x n LEU 20 Ca -0.02 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3m4x n LEU 20 Cb 0.54 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 3m4x n LEU 20 CO 0.48 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3m4x n GLY 21 N 1.27 2.62 0.21 -0.72 0.00 -0.35 -2.86 105.19 105.36 3m4x n GLY 21 Ca -0.04 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.82 3m4x n GLY 21 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3m4x h GLU 22 N 0.00 0.00 0.00 1.61 4.11 -1.96 -2.76 114.58 115.58 3m4x h GLU 22 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 3m4x h GLU 22 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3m4x h GLU 22 CO 0.00 0.00 -0.04 1.49 0.07 0.00 0.00 179.01 180.53 3m4x h GLU 23 N 0.00 0.00 -0.95 1.06 4.81 -1.92 -3.09 114.58 114.49 3m4x h GLU 23 Ca 0.00 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.39 3m4x h GLU 23 Cb 1.00 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.29 3m4x h GLU 23 CO 0.00 0.04 0.60 0.00 -0.73 0.00 0.00 179.01 178.93 3m4x h ALA 24 N 1.96 1.79 -0.16 2.92 0.00 -1.63 -2.40 119.26 121.73 3m4x h ALA 24 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3m4x h ALA 24 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3m4x h ALA 24 CO 0.01 -0.08 0.10 0.77 0.00 0.00 0.00 179.25 180.05 3m4x h SER 25 N 0.73 0.17 -0.55 0.00 0.02 -1.78 -0.55 113.55 111.59 3m4x h SER 25 Ca 0.50 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.44 3m4x h SER 25 Cb 0.81 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 3m4x h SER 25 CO -0.27 0.13 0.31 0.44 -1.14 0.00 0.00 176.83 176.30 3m4x h ASP 26 N 0.21 0.70 0.06 3.07 3.32 -1.66 -0.83 116.42 121.29 3m4x h ASP 26 Ca 0.06 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3m4x h ASP 26 Cb -0.02 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.35 3m4x h ASP 26 CO -0.02 0.57 -0.03 0.15 -1.72 0.00 0.00 179.24 178.19 3m4x h PHE 27 N 0.79 -0.07 -0.43 4.55 3.57 -1.08 0.10 116.94 124.37 3m4x h PHE 27 Ca 0.20 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.61 3m4x h PHE 27 Cb 0.03 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3m4x h PHE 27 CO 0.00 0.15 -0.11 0.74 -2.23 0.00 0.00 178.31 176.87 3m4x h PHE 28 N -0.28 0.86 -0.21 0.41 0.05 -1.02 -1.33 116.94 115.41 3m4x h PHE 28 Ca -0.01 -0.16 -0.08 0.00 3.82 0.00 0.00 57.97 61.55 3m4x h PHE 28 Cb 0.25 -0.22 -0.01 0.00 2.00 0.00 0.00 35.95 37.97 3m4x h PHE 28 CO -0.00 0.85 -0.21 1.03 -0.18 0.00 0.00 178.31 179.79 3m4x h SER 29 N 0.71 0.37 -0.32 2.17 0.87 -0.95 0.79 113.55 117.18 3m4x h SER 29 Ca 0.12 -0.11 -0.13 0.00 -1.23 0.00 0.00 61.79 60.44 3m4x h SER 29 Cb 0.59 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 3m4x h SER 29 CO 0.04 0.59 -0.32 0.00 -0.53 0.00 0.00 176.83 176.61 3m4x h ALA 30 N 1.44 0.47 -0.58 6.23 0.00 -0.43 -1.57 119.26 124.80 3m4x h ALA 30 Ca 0.06 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 3m4x h ALA 30 Cb 0.57 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3m4x h ALA 30 CO 0.04 0.51 0.04 -0.07 0.00 0.00 0.00 179.25 179.77 3m4x h LEU 31 N 0.54 0.95 0.00 0.00 4.07 -0.44 -0.87 115.31 119.56 3m4x h LEU 31 Ca 0.05 -0.24 -0.11 0.00 0.08 0.00 0.00 57.88 57.66 3m4x h LEU 31 Cb 0.90 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.37 3m4x h LEU 31 CO 0.08 0.98 -1.74 -1.84 -1.08 0.00 0.00 178.44 174.84 3m4x n GLU 32 N -4.20 0.65 -0.00 1.13 0.28 0.20 -4.52 120.64 114.17 3m4x n GLU 32 Ca 0.03 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.06 3m4x n GLU 32 Cb 0.31 -1.65 -0.03 0.00 1.43 0.00 0.00 31.44 31.50 3m4x n GLU 32 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3m4x n GLN 33 N -2.59 4.17 -1.82 3.44 1.13 -0.59 -4.96 117.38 116.16 3m4x n GLN 33 Ca -0.10 -0.01 -0.29 0.00 -1.94 0.00 0.00 57.00 54.66 3m4x n GLN 33 Cb 0.74 -0.80 0.09 0.00 0.11 0.00 0.00 30.24 30.38 3m4x n GLN 33 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3m4x s GLY 34 N -1.68 1.60 -0.15 1.08 0.00 -0.33 -5.03 107.32 102.80 3m4x s GLY 34 Ca 0.01 -0.53 -0.10 0.00 0.00 0.00 0.00 44.72 44.10 3m4x s GLY 34 CO 0.17 -0.07 0.18 -1.35 0.00 0.00 0.00 173.10 172.03 3m4x s SER 35 N -4.41 6.36 0.10 1.64 1.04 -1.26 -4.97 113.70 112.19 3m4x s SER 35 Ca 0.61 0.42 -0.31 0.00 0.48 0.00 0.00 55.95 57.16 3m4x s SER 35 Cb -0.12 -2.11 -0.09 0.00 0.10 0.00 0.00 66.02 63.80 3m4x s SER 35 CO 0.51 0.27 1.73 -0.69 0.98 0.00 0.00 173.24 176.04 3m4x s VAL 36 N -0.30 2.80 0.28 5.02 1.01 -1.26 -4.98 120.40 122.98 3m4x s VAL 36 Ca 0.13 0.29 -0.28 0.00 0.00 0.00 0.00 61.98 62.12 3m4x s VAL 36 Cb -0.12 -3.18 -0.09 0.00 0.00 0.00 0.00 36.38 32.98 3m4x s VAL 36 CO 0.02 -0.00 0.95 -0.54 0.00 0.00 0.00 175.10 175.53 3m4x s LYS 37 N 2.66 4.73 0.00 2.72 -0.14 -1.26 -5.07 119.74 123.38 3m4x s LYS 37 Ca 0.77 1.43 0.05 0.00 -1.36 0.00 0.00 55.97 56.87 3m4x s LYS 37 Cb -0.43 -3.06 -0.02 0.00 -1.68 0.00 0.00 37.83 32.64 3m4x s LYS 37 CO 0.34 0.40 -0.17 0.15 -0.76 0.00 0.00 175.35 175.31 3m4x s LYS 38 N -1.58 1.28 0.28 1.68 1.02 -1.26 -4.49 119.74 116.67 3m4x s LYS 38 Ca 0.45 -0.67 -0.15 0.00 0.02 0.00 0.00 55.97 55.63 3m4x s LYS 38 Cb -0.23 -1.27 0.01 0.00 -0.52 0.00 0.00 37.83 35.82 3m4x s LYS 38 CO 0.29 0.34 0.59 0.20 -0.92 0.00 0.00 175.35 175.85 3m4x s GLY 39 N -0.63 0.42 0.26 -3.33 0.00 -0.81 -0.78 107.32 102.44 3m4x s GLY 39 Ca 0.06 -0.75 -0.19 0.00 0.00 0.00 0.00 44.72 43.84 3m4x s GLY 39 CO 0.00 -0.46 0.64 -0.11 0.00 0.00 0.00 173.10 173.17 3m4x s PHE 40 N -3.69 -0.09 0.07 1.90 -0.12 -0.74 -0.78 117.98 114.53 3m4x s PHE 40 Ca 0.19 -0.33 0.08 0.00 -0.05 0.00 0.00 56.93 56.82 3m4x s PHE 40 Cb -0.03 0.56 -0.03 0.00 -0.63 0.00 0.00 43.02 42.89 3m4x s PHE 40 CO 0.10 -1.13 -0.21 1.03 -0.05 0.00 0.00 175.22 174.96 3m4x s ARG 41 N -3.93 1.26 0.73 1.99 0.52 0.68 -0.87 118.95 119.33 3m4x s ARG 41 Ca 0.13 -1.03 -0.07 0.00 -0.52 0.00 0.00 55.73 54.23 3m4x s ARG 41 Cb -0.04 -1.44 0.08 0.00 0.52 0.00 0.00 34.95 34.07 3m4x s ARG 41 CO 0.05 0.35 1.05 1.67 0.02 0.00 0.00 175.30 178.45 3m4x s TRP 42 N -0.96 2.72 -0.29 -0.53 1.48 -0.51 -1.45 118.94 119.40 3m4x s TRP 42 Ca 0.07 0.40 0.02 0.00 -1.06 0.00 0.00 56.10 55.53 3m4x s TRP 42 Cb -0.09 -3.28 0.08 0.00 -1.16 0.00 0.00 33.47 29.02 3m4x s TRP 42 CO 0.03 -1.56 0.00 1.21 -4.06 0.00 0.00 176.95 172.57 3m4x s ASN 43 N -4.57 4.32 0.21 -2.66 3.84 -1.24 -4.92 114.94 109.92 3m4x s ASN 43 Ca 0.62 -1.65 0.21 0.00 0.21 0.00 0.00 52.86 52.25 3m4x s ASN 43 Cb -0.10 -1.35 0.91 0.00 -0.55 0.00 0.00 41.25 40.16 3m4x s ASN 43 CO 0.46 -0.31 1.64 -2.65 -2.79 0.00 0.00 177.10 173.45 3m4x n PRO 44 N 4.51 0.15 0.26 0.43 -0.02 -1.26 -1.89 135.00 137.18 3m4x n PRO 44 Ca -0.05 0.42 0.15 0.00 -2.02 0.00 0.00 63.50 62.01 3m4x n PRO 44 Cb 0.43 -1.81 0.56 0.00 -0.02 0.00 0.00 33.50 32.66 3m4x n PRO 44 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3m4x h LEU 45 N 0.00 0.00 -9.95 2.45 3.38 -1.91 -3.46 115.31 105.83 3m4x h LEU 45 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 3m4x h LEU 45 Cb 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3m4x h LEU 45 CO 0.00 0.03 -0.12 -0.54 0.09 0.00 0.00 178.44 177.90 3m4x s LYS 46 N -3.58 3.83 -0.06 1.13 -0.14 -0.79 -4.83 119.74 115.31 3m4x s LYS 46 Ca 0.02 0.30 -0.34 0.00 -1.36 0.00 0.00 55.97 54.59 3m4x s LYS 46 Cb 0.08 -2.71 -0.12 0.00 -1.68 0.00 0.00 37.83 33.40 3m4x s LYS 46 CO 0.58 0.36 1.83 -2.30 -0.76 0.00 0.00 175.35 175.06 3m4x n PRO 47 N 0.08 2.14 -3.95 -1.68 -0.02 -1.26 -2.44 135.00 127.86 3m4x n PRO 47 Ca -0.01 0.78 -0.30 0.00 -2.02 0.00 0.00 63.50 61.95 3m4x n PRO 47 Cb 0.52 -2.61 0.01 0.00 -0.02 0.00 0.00 33.50 31.40 3m4x n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m4x n ALA 48 N 6.12 -1.44 0.01 3.55 0.00 -1.26 -4.79 120.51 122.71 3m4x n ALA 48 Ca 0.22 0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.63 3m4x n ALA 48 Cb 0.29 -3.71 -0.03 0.00 0.00 0.00 0.00 19.45 16.00 3m4x n ALA 48 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3m4x h GLY 49 N -1.93 -0.26 0.81 0.00 0.00 -1.66 -2.96 103.07 97.07 3m4x h GLY 49 Ca -0.59 0.29 -0.09 0.00 0.00 0.00 0.00 47.33 46.94 3m4x h GLY 49 CO 0.68 -0.20 -0.23 -2.00 0.00 0.00 0.00 176.54 174.79 3m4x h LEU 50 N -0.31 0.50 -1.79 3.11 5.85 -1.89 -2.74 115.31 118.03 3m4x h LEU 50 Ca 0.09 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3m4x h LEU 50 Cb 0.45 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3m4x h LEU 50 CO -0.29 0.91 0.00 -0.67 -0.34 0.00 0.00 178.44 178.05 3m4x n ASP 51 N -4.44 0.00 0.00 1.25 2.03 -1.12 -0.92 116.55 113.35 3m4x n ASP 51 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 3m4x n ASP 51 Cb 0.42 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 3m4x n ASP 51 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3m4x n VAL 53 N 0.73 0.00 -0.03 5.18 0.31 -1.04 -1.51 118.33 121.98 3m4x n VAL 53 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 3m4x n VAL 53 Cb 0.00 0.00 0.21 0.00 -0.91 0.00 0.00 33.84 33.14 3m4x n VAL 53 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3m4x h GLN 54 N 0.00 0.60 0.02 5.55 4.20 -1.22 -0.57 115.11 123.69 3m4x h GLN 54 Ca 0.00 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 3m4x h GLN 54 Cb 0.00 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3m4x h GLN 54 CO 0.00 0.71 -0.01 1.15 -0.67 0.00 0.00 178.83 180.01 3m4x h THR 55 N 0.55 1.44 0.00 -0.54 2.02 -1.52 -2.28 112.91 112.57 3m4x h THR 55 Ca 0.10 -1.90 0.00 0.00 0.77 0.00 0.00 66.41 65.38 3m4x h THR 55 Cb 0.53 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 3m4x h THR 55 CO 0.03 0.46 -0.96 -1.22 0.37 0.00 0.00 175.52 174.20 3m4x n TYR 56 N -4.70 0.01 0.00 3.16 4.02 -1.23 -4.53 117.16 113.89 3m4x n TYR 56 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 3m4x n TYR 56 Cb 0.37 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.62 3m4x n TYR 56 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 3m4x n HIS 57 N -1.55 0.00 0.00 -0.72 -0.00 -0.27 -5.06 115.22 107.62 3m4x n HIS 57 Ca 0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.22 3m4x n HIS 57 Cb 0.34 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.21 3m4x n HIS 57 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 3m4x n SER 58 N -2.39 0.00 -0.96 0.26 2.88 -0.89 -5.00 113.62 107.52 3m4x n SER 58 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 3m4x n SER 58 Cb 0.00 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 63.68 3m4x n SER 58 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3m4x n GLU 59 N -0.10 2.27 -0.04 -1.46 1.02 -0.86 -4.10 120.64 117.37 3m4x n GLU 59 Ca 0.00 -1.81 -0.01 0.00 -0.02 0.00 0.00 57.16 55.32 3m4x n GLU 59 Cb 0.00 -1.44 -0.09 0.00 -0.02 0.00 0.00 31.44 29.89 3m4x n GLU 59 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3m4x n GLU 60 N 0.91 1.42 -1.50 3.49 1.02 -1.26 -5.05 120.64 119.68 3m4x n GLU 60 Ca 0.17 -0.05 -0.41 0.00 -0.02 0.00 0.00 57.16 56.85 3m4x n GLU 60 Cb 0.46 -1.29 0.01 0.00 -0.02 0.00 0.00 31.44 30.60 3m4x n GLU 60 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 3m4x n LEU 61 N -2.22 0.87 -4.80 -4.62 -0.00 -1.26 -4.93 117.00 100.05 3m4x n LEU 61 Ca -0.12 0.92 -0.39 0.00 -0.00 0.00 0.00 56.01 56.43 3m4x n LEU 61 Cb 0.64 -1.19 -0.06 0.00 -0.00 0.00 0.00 43.42 42.81 3m4x n LEU 61 CO 0.25 -2.51 0.35 -1.10 -0.00 0.00 0.00 177.39 174.38 3m4x s GLN 62 N -1.79 4.32 0.52 1.47 -0.21 -1.26 -4.93 119.66 117.78 3m4x s GLN 62 Ca 0.64 0.87 -0.22 0.00 0.02 0.00 0.00 55.36 56.68 3m4x s GLN 62 Cb -0.57 -3.21 -0.05 0.00 1.00 0.00 0.00 33.01 30.17 3m4x s GLN 62 CO 0.57 0.60 1.26 -1.25 -2.12 0.00 0.00 175.29 174.35 3m4x s PRO 63 N -1.20 3.32 0.42 2.91 0.04 -1.26 0.40 135.00 139.63 3m4x s PRO 63 Ca 0.32 2.00 -0.20 0.00 0.04 0.00 0.00 61.00 63.17 3m4x s PRO 63 Cb -0.20 -2.25 -0.11 0.00 0.04 0.00 0.00 34.50 31.98 3m4x s PRO 63 CO 0.21 -0.97 0.92 0.00 0.04 0.00 0.00 177.00 177.20 3m4x s ALA 64 N -1.44 3.09 0.33 8.56 0.00 0.01 -4.40 121.76 127.91 3m4x s ALA 64 Ca 0.70 0.33 0.12 0.00 0.00 0.00 0.00 51.96 53.11 3m4x s ALA 64 Cb -0.34 -3.09 0.59 0.00 0.00 0.00 0.00 23.12 20.27 3m4x s ALA 64 CO 0.40 0.15 1.74 -1.35 0.00 0.00 0.00 175.76 176.70 3m4x h PRO 65 N 1.92 0.00 -0.10 0.00 0.11 -1.90 -3.34 132.00 128.69 3m4x h PRO 65 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3m4x h PRO 65 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3m4x h PRO 65 CO 0.62 0.46 0.00 0.66 -0.21 0.00 0.00 178.00 179.53 3m4x n TYR 66 N -3.96 0.28 -3.70 0.65 0.53 -1.26 -4.61 117.16 105.09 3m4x n TYR 66 Ca -0.02 -0.80 -0.12 0.00 -1.02 0.00 0.00 57.90 55.94 3m4x n TYR 66 Cb 0.49 -0.15 -0.09 0.00 -1.03 0.00 0.00 39.34 38.55 3m4x n TYR 66 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 3m4x s SER 67 N -2.03 -0.55 0.65 7.72 0.15 -1.26 -4.17 113.70 114.21 3m4x s SER 67 Ca 0.26 1.02 0.23 0.00 0.70 0.00 0.00 55.95 58.16 3m4x s SER 67 Cb 0.22 0.99 1.23 0.00 -1.71 0.00 0.00 66.02 66.75 3m4x s SER 67 CO 0.05 -0.18 1.69 0.78 1.20 0.00 0.00 173.24 176.78 3m4x h ASN 68 N 5.84 0.00 0.00 5.45 -0.26 -1.93 -2.13 115.58 122.55 3m4x h ASN 68 Ca -0.30 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.44 3m4x h ASN 68 Cb 1.18 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.44 3m4x h ASN 68 CO 0.21 0.00 -0.04 -0.62 -1.06 0.00 0.00 177.43 175.92 3m4x n GLU 69 N -2.94 1.83 -3.89 0.81 1.02 -1.26 -5.05 120.64 111.16 3m4x n GLU 69 Ca 0.01 -1.78 -0.31 0.00 -0.02 0.00 0.00 57.16 55.05 3m4x n GLU 69 Cb 0.61 -1.11 -0.04 0.00 -0.02 0.00 0.00 31.44 30.88 3m4x n GLU 69 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3m4x s GLY 70 N -1.63 2.20 0.05 0.62 0.00 -0.80 -1.42 107.32 106.33 3m4x s GLY 70 Ca 0.12 -0.80 0.04 0.00 0.00 0.00 0.00 44.72 44.08 3m4x s GLY 70 CO 0.01 -0.76 -0.11 -1.36 0.00 0.00 0.00 173.10 170.88 3m4x s PHE 71 N -1.51 0.97 -0.03 1.90 0.40 -0.05 -0.81 117.98 118.85 3m4x s PHE 71 Ca 0.35 -0.45 -0.27 0.00 -0.60 0.00 0.00 56.93 55.95 3m4x s PHE 71 Cb -0.13 -0.56 -0.03 0.00 0.51 0.00 0.00 43.02 42.81 3m4x s PHE 71 CO 0.27 -0.00 0.87 -0.51 0.70 0.00 0.00 175.22 176.55 3m4x s LEU 72 N -1.55 4.34 0.00 -0.37 1.43 0.16 -1.80 118.68 120.89 3m4x s LEU 72 Ca -0.05 1.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 3m4x s LEU 72 Cb -0.09 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 42.74 3m4x s LEU 72 CO 0.01 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 176.98 3m4x n GLY 73 N 3.00 0.01 3.48 -3.19 0.00 0.04 -4.42 105.19 104.11 3m4x n GLY 73 Ca 0.03 -1.62 -0.24 0.00 0.00 0.00 0.00 46.02 44.19 3m4x n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3m4x s THR 74 N -2.44 2.45 -0.12 2.61 -4.23 -1.26 -1.92 115.64 110.74 3m4x s THR 74 Ca 0.00 -2.39 -0.02 0.00 -1.18 0.00 0.00 61.69 58.11 3m4x s THR 74 Cb 0.00 -2.34 -0.03 0.00 1.34 0.00 0.00 72.50 71.47 3m4x s THR 74 CO 0.00 -0.38 -0.06 -0.69 -0.54 0.00 0.00 174.62 172.96 3m4x s VAL 75 N -2.52 3.76 -0.66 2.29 1.01 -1.26 -5.02 120.40 118.00 3m4x s VAL 75 Ca 0.30 -0.43 -0.27 0.00 0.00 0.00 0.00 61.98 61.59 3m4x s VAL 75 Cb -0.04 -2.60 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 3m4x s VAL 75 CO 0.15 0.54 1.63 0.21 0.00 0.00 0.00 175.10 177.63 3m4x s ASN 76 N -0.13 5.62 0.31 3.32 3.84 -1.26 -4.86 114.94 121.78 3m4x s ASN 76 Ca 0.02 0.03 0.24 0.00 0.21 0.00 0.00 52.86 53.35 3m4x s ASN 76 Cb -0.13 -2.54 1.12 0.00 -0.55 0.00 0.00 41.25 39.15 3m4x s ASN 76 CO 0.03 -2.17 1.72 1.23 -2.79 0.00 0.00 177.10 175.12 3m4x h GLY 77 N 15.09 0.00 -1.21 1.21 0.00 -1.99 -2.17 103.07 114.01 3m4x h GLY 77 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3m4x h GLY 77 CO 1.24 0.00 0.00 0.28 0.00 0.00 0.00 176.54 178.06 3m4x n LYS 78 N -2.31 1.98 -2.34 4.80 4.76 -1.26 -4.69 118.16 119.11 3m4x n LYS 78 Ca 0.00 -1.74 -0.13 0.00 -2.87 0.00 0.00 58.31 53.57 3m4x n LYS 78 Cb 0.14 -1.27 0.04 0.00 -1.84 0.00 0.00 35.03 32.11 3m4x n LYS 78 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3m4x n SER 79 N 0.63 1.43 0.05 4.39 2.88 -0.81 -4.98 113.62 117.19 3m4x n SER 79 Ca 0.10 -2.03 -0.07 0.00 -1.33 0.00 0.00 58.87 55.54 3m4x n SER 79 Cb 0.38 -0.28 -0.12 0.00 -0.75 0.00 0.00 64.21 63.45 3m4x n SER 79 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 3m4x h PHE 80 N 0.08 0.00 -0.60 0.66 -5.15 -1.95 -2.04 116.94 107.95 3m4x h PHE 80 Ca -0.18 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.55 3m4x h PHE 80 Cb 0.83 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.97 3m4x h PHE 80 CO 0.00 0.98 0.23 -0.07 -2.00 0.00 0.00 178.31 177.45 3m4x h LEU 81 N 0.00 0.80 -0.01 2.10 3.38 -1.96 -1.37 115.31 118.24 3m4x h LEU 81 Ca -0.07 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 3m4x h LEU 81 Cb 1.81 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 42.36 3m4x h LEU 81 CO 0.12 0.72 -0.27 -0.74 0.09 0.00 0.00 178.44 178.36 3m4x h HIS 82 N 0.86 0.29 -0.85 1.13 2.76 -1.77 0.40 115.15 117.97 3m4x h HIS 82 Ca 0.20 -0.15 0.12 0.00 -2.20 0.00 0.00 60.37 58.34 3m4x h HIS 82 Cb 0.19 -0.03 -0.08 0.00 1.55 0.00 0.00 27.41 29.03 3m4x h HIS 82 CO 0.01 0.94 0.47 0.37 -1.30 0.00 0.00 177.93 178.42 3m4x h GLN 83 N -0.45 0.70 -0.18 5.26 -0.00 -1.26 -2.09 115.11 117.09 3m4x h GLN 83 Ca -0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.58 3m4x h GLN 83 Cb 1.01 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 28.34 3m4x h GLN 83 CO 0.05 0.46 0.00 0.00 0.00 0.00 0.00 178.83 179.35 3m4x n ALA 84 N -2.40 2.51 -1.57 3.38 0.00 -0.53 -4.92 120.51 116.99 3m4x n ALA 84 Ca 0.16 -0.49 -0.01 0.00 0.00 0.00 0.00 53.44 53.10 3m4x n ALA 84 Cb 0.36 -1.08 -0.00 0.00 0.00 0.00 0.00 19.45 18.73 3m4x n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m4x n GLY 85 N 1.06 0.38 0.13 0.00 0.00 -0.79 -4.83 105.19 101.15 3m4x n GLY 85 Ca 0.15 -0.95 0.13 0.00 0.00 0.00 0.00 46.02 45.34 3m4x n GLY 85 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3m4x n TYR 86 N -3.54 0.00 -3.81 1.61 4.02 0.14 -4.69 117.16 110.89 3m4x n TYR 86 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 3m4x n TYR 86 Cb 0.29 -0.19 -0.13 0.00 -0.02 0.00 0.00 39.34 39.29 3m4x n TYR 86 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3m4x s GLU 87 N -2.69 0.15 -0.14 -0.72 2.02 -1.14 -3.72 118.70 112.47 3m4x s GLU 87 Ca 0.20 0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.43 3m4x s GLU 87 Cb 0.19 0.03 0.03 0.00 0.10 0.00 0.00 34.13 34.47 3m4x s GLU 87 CO 0.57 -0.05 -0.11 -0.47 0.02 0.00 0.00 175.26 175.22 3m4x s TYR 88 N 0.30 1.91 0.09 1.61 5.04 -0.53 -4.75 117.35 121.02 3m4x s TYR 88 Ca -0.02 -1.06 -0.30 0.00 -2.44 0.00 0.00 57.07 53.25 3m4x s TYR 88 Cb -0.03 -1.45 -0.05 0.00 0.35 0.00 0.00 41.96 40.77 3m4x s TYR 88 CO -0.01 -0.62 0.97 -1.54 -1.34 0.00 0.00 175.55 173.01 3m4x s SER 89 N 1.57 7.47 -0.23 4.32 1.04 -1.26 -0.23 113.70 126.37 3m4x s SER 89 Ca 0.04 1.78 -0.16 0.00 0.48 0.00 0.00 55.95 58.09 3m4x s SER 89 Cb -0.13 -2.59 0.07 0.00 0.10 0.00 0.00 66.02 63.47 3m4x s SER 89 CO -0.10 -0.11 0.58 -1.58 0.98 0.00 0.00 173.24 173.01 3m4x s GLN 90 N 0.19 0.62 0.34 4.02 0.74 0.04 -4.93 119.66 120.69 3m4x s GLN 90 Ca 0.48 0.95 -0.28 0.00 0.05 0.00 0.00 55.36 56.56 3m4x s GLN 90 Cb -0.23 0.18 -0.09 0.00 1.10 0.00 0.00 33.01 33.97 3m4x s GLN 90 CO 0.30 -0.12 1.20 -1.83 -0.55 0.00 0.00 175.29 174.29 3m4x s GLU 91 N 1.01 4.32 0.26 1.67 4.04 -1.26 -3.24 118.70 125.50 3m4x s GLU 91 Ca -0.06 1.97 -0.01 0.00 0.04 0.00 0.00 54.97 56.92 3m4x s GLU 91 Cb -0.05 -2.96 0.56 0.00 0.02 0.00 0.00 34.13 31.70 3m4x s GLU 91 CO -0.09 -0.13 1.73 -1.35 -1.84 0.00 0.00 175.26 173.57 3m4x h PRO 92 N 3.22 0.47 0.00 -4.83 0.11 -1.87 -1.75 132.00 127.36 3m4x h PRO 92 Ca -0.48 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.45 3m4x h PRO 92 Cb 1.23 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3m4x h PRO 92 CO 0.65 0.31 -0.72 0.66 -0.21 0.00 0.00 178.00 178.69 3m4x h SER 93 N 0.49 0.00 0.00 -2.05 4.64 -1.91 -3.37 113.55 111.35 3m4x h SER 93 Ca 0.47 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3m4x h SER 93 Cb 0.76 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3m4x h SER 93 CO -0.43 0.72 0.37 0.00 -0.87 0.00 0.00 176.83 176.62 3m4x n ALA 94 N -2.39 1.22 0.00 5.18 0.00 -0.66 -4.34 120.51 119.53 3m4x n ALA 94 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3m4x n ALA 94 Cb 0.72 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.98 3m4x n ALA 94 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3m4x n ILE 96 N 2.75 0.00 0.09 0.00 0.13 -1.26 -4.22 119.36 116.84 3m4x n ILE 96 Ca 0.01 0.00 -0.13 0.00 -1.10 0.00 0.00 62.75 61.53 3m4x n ILE 96 Cb 0.02 0.00 -0.08 0.00 -0.84 0.00 0.00 39.64 38.73 3m4x n ILE 96 CO 0.00 0.00 0.00 0.58 2.80 0.00 0.00 176.55 179.93 3m4x h VAL 97 N 0.00 0.94 -0.55 9.51 2.07 -1.91 0.81 116.25 127.12 3m4x h VAL 97 Ca 0.00 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3m4x h VAL 97 Cb 0.00 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3m4x h VAL 97 CO 0.00 0.17 0.35 1.23 0.02 0.00 0.00 177.57 179.34 3m4x h GLY 98 N -0.62 0.79 0.87 2.17 0.00 -1.89 -1.72 103.07 102.67 3m4x h GLY 98 Ca -0.02 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 3m4x h GLY 98 CO 0.04 0.30 -0.16 -0.84 0.00 0.00 0.00 176.54 175.88 3m4x h THR 99 N 0.76 1.31 -0.95 4.70 2.02 -1.78 -2.91 112.91 116.06 3m4x h THR 99 Ca 0.20 -1.28 0.09 0.00 0.77 0.00 0.00 66.41 66.19 3m4x h THR 99 Cb -0.05 1.62 -0.07 0.00 -1.74 0.00 0.00 68.15 67.90 3m4x h THR 99 CO -0.04 0.40 0.61 0.00 0.37 0.00 0.00 175.52 176.86 3m4x h ALA 100 N 0.70 1.54 -0.44 6.16 0.00 -0.47 -2.70 119.26 124.05 3m4x h ALA 100 Ca 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3m4x h ALA 100 Cb 0.69 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3m4x h ALA 100 CO 0.04 0.28 0.11 0.00 0.00 0.00 0.00 179.25 179.68 3m4x h ALA 101 N 1.52 1.36 -6.92 0.00 0.00 -1.13 -3.47 119.26 110.62 3m4x h ALA 101 Ca 0.44 -0.17 -0.43 0.00 0.00 0.00 0.00 54.91 54.75 3m4x h ALA 101 Cb 0.34 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3m4x h ALA 101 CO -0.19 0.46 -0.76 0.00 0.00 0.00 0.00 179.25 178.76 3m4x n ALA 102 N -2.47 -2.21 -1.73 0.00 0.00 -1.02 -4.88 120.51 108.19 3m4x n ALA 102 Ca 0.03 -0.39 -0.37 0.00 0.00 0.00 0.00 53.44 52.71 3m4x n ALA 102 Cb 0.20 -1.54 0.07 0.00 0.00 0.00 0.00 19.45 18.18 3m4x n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m4x s ALA 103 N -3.65 2.38 0.03 0.00 0.00 -1.26 -5.03 121.76 114.23 3m4x s ALA 103 Ca 0.28 1.23 0.07 0.00 0.00 0.00 0.00 51.96 53.53 3m4x s ALA 103 Cb -0.16 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 3m4x s ALA 103 CO 0.70 -1.61 -0.18 0.15 0.00 0.00 0.00 175.76 174.82 3m4x s LYS 104 N -3.37 2.11 -0.04 0.00 1.02 -1.26 -4.84 119.74 113.36 3m4x s LYS 104 Ca 0.83 -0.95 -0.39 0.00 0.02 0.00 0.00 55.97 55.48 3m4x s LYS 104 Cb -0.38 -2.20 -0.17 0.00 -0.52 0.00 0.00 37.83 34.56 3m4x s LYS 104 CO 0.40 0.55 1.41 -2.30 -0.92 0.00 0.00 175.35 174.48 3m4x n PRO 105 N 1.66 0.90 -0.00 -1.68 -0.02 -1.26 -1.80 135.00 132.82 3m4x n PRO 105 Ca -0.16 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3m4x n PRO 105 Cb 0.52 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3m4x n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m4x n GLY 106 N 2.83 0.48 3.81 -1.23 0.00 -0.93 -4.86 105.19 105.29 3m4x n GLY 106 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 3m4x n GLY 106 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m4x s GLU 107 N -0.84 3.14 -0.27 1.61 2.02 -0.74 -4.45 118.70 119.16 3m4x s GLU 107 Ca 0.00 1.06 -0.17 0.00 0.02 0.00 0.00 54.97 55.88 3m4x s GLU 107 Cb 0.00 -2.01 -0.03 0.00 0.10 0.00 0.00 34.13 32.19 3m4x s GLU 107 CO 0.00 -0.95 0.48 0.15 0.02 0.00 0.00 175.26 174.97 3m4x s LYS 108 N -4.59 4.01 -0.04 1.61 1.02 -1.26 -1.55 119.74 118.94 3m4x s LYS 108 Ca 0.60 0.21 0.04 0.00 0.02 0.00 0.00 55.97 56.84 3m4x s LYS 108 Cb -0.15 -3.67 -0.00 0.00 -0.52 0.00 0.00 37.83 33.49 3m4x s LYS 108 CO 0.46 -0.37 -0.16 0.08 -0.92 0.00 0.00 175.35 174.44 3m4x s VAL 109 N 2.27 1.36 -0.12 3.17 1.01 0.25 -0.75 120.40 127.58 3m4x s VAL 109 Ca 0.19 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.51 3m4x s VAL 109 Cb -0.16 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.06 3m4x s VAL 109 CO 0.10 0.39 -0.21 -0.22 0.00 0.00 0.00 175.10 175.16 3m4x s LEU 110 N -0.04 2.26 -0.46 3.92 2.96 0.16 -0.48 118.68 127.00 3m4x s LEU 110 Ca -0.01 -0.51 -0.09 0.00 -0.22 0.00 0.00 54.13 53.29 3m4x s LEU 110 Cb -0.10 -1.47 0.11 0.00 0.50 0.00 0.00 46.19 45.22 3m4x s LEU 110 CO 0.01 0.14 0.32 -0.62 -1.32 0.00 0.00 176.35 174.89 3m4x s ASP 111 N 0.45 5.70 0.08 3.68 3.68 -0.02 -0.34 116.67 129.90 3m4x s ASP 111 Ca -0.15 -1.77 -0.11 0.00 2.13 0.00 0.00 52.55 52.66 3m4x s ASP 111 Cb -0.17 -2.01 -0.24 0.00 -1.45 0.00 0.00 42.92 39.05 3m4x s ASP 111 CO 0.06 -0.65 1.16 0.25 0.13 0.00 0.00 175.17 176.12 3m4x h LEU 112 N 8.45 0.73 -7.20 -1.34 5.85 -1.46 -0.17 115.31 120.17 3m4x h LEU 112 Ca -0.22 -0.66 -0.63 0.00 0.84 0.00 0.00 57.88 57.21 3m4x h LEU 112 Cb 1.08 -0.23 -0.41 0.00 0.37 0.00 0.00 40.66 41.47 3m4x h LEU 112 CO 0.83 1.48 -0.63 0.00 -0.34 0.00 0.00 178.44 179.78 3m4x n ALA 114 N 2.71 1.83 -1.76 0.00 0.00 -0.30 -4.59 120.51 118.40 3m4x n ALA 114 Ca 0.11 -1.10 -0.39 0.00 0.00 0.00 0.00 53.44 52.07 3m4x n ALA 114 Cb 0.34 -0.30 0.02 0.00 0.00 0.00 0.00 19.45 19.51 3m4x n ALA 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m4x s ALA 115 N -2.71 3.05 -0.42 0.00 0.00 -1.26 -1.51 121.76 118.91 3m4x s ALA 115 Ca -0.09 1.33 0.26 0.00 0.00 0.00 0.00 51.96 53.45 3m4x s ALA 115 Cb 0.08 -3.55 0.67 0.00 0.00 0.00 0.00 23.12 20.32 3m4x s ALA 115 CO 0.82 -1.16 1.72 -1.35 0.00 0.00 0.00 175.76 175.79 3m4x h PRO 116 N 2.01 0.00 0.00 0.00 0.11 -1.93 -3.46 132.00 128.73 3m4x h PRO 116 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3m4x h PRO 116 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3m4x h PRO 116 CO 0.60 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.80 3m4x n GLY 117 N 0.90 0.55 0.16 -0.55 0.00 -0.57 -4.19 105.19 101.49 3m4x n GLY 117 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 3m4x n GLY 117 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3m4x h GLY 118 N 0.00 0.37 1.49 -0.02 0.00 -1.90 -2.11 103.07 100.90 3m4x h GLY 118 Ca 0.00 0.04 -0.28 0.00 0.00 0.00 0.00 47.33 47.10 3m4x h GLY 118 CO 0.00 -0.09 -1.22 0.50 0.00 0.00 0.00 176.54 175.73 3m4x h LYS 119 N 0.10 0.40 -0.42 4.80 6.56 -1.93 -2.97 116.57 123.11 3m4x h LYS 119 Ca 0.18 -0.60 -0.02 0.00 -1.06 0.00 0.00 60.65 59.15 3m4x h LYS 119 Cb 0.25 0.21 -0.02 0.00 -0.57 0.00 0.00 32.23 32.10 3m4x h LYS 119 CO -0.30 1.26 0.16 0.77 -2.06 0.00 0.00 179.45 179.28 3m4x h SER 120 N 0.15 0.54 0.16 0.86 0.02 -1.83 -0.47 113.55 112.99 3m4x h SER 120 Ca -0.15 -0.06 -0.19 0.00 -0.84 0.00 0.00 61.79 60.55 3m4x h SER 120 Cb 1.92 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 64.32 3m4x h SER 120 CO 0.21 0.50 -0.74 0.74 -1.14 0.00 0.00 176.83 176.41 3m4x h THR 121 N 0.60 1.35 0.00 -2.27 2.02 -1.41 0.24 112.91 113.44 3m4x h THR 121 Ca 0.15 -2.09 -0.14 0.00 0.77 0.00 0.00 66.41 65.09 3m4x h THR 121 Cb 0.14 2.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 3m4x h THR 121 CO -0.01 0.64 -0.66 0.06 0.37 0.00 0.00 175.52 175.91 3m4x h GLN 122 N 0.34 0.00 -0.22 6.66 3.07 -1.19 -2.53 115.11 121.23 3m4x h GLN 122 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.68 3m4x h GLN 122 Cb 1.32 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.88 3m4x h GLN 122 CO 0.13 0.66 0.04 -0.07 0.09 0.00 0.00 178.83 179.68 3m4x h LEU 123 N 0.00 0.35 -1.15 0.06 3.38 -0.62 -1.93 115.31 115.40 3m4x h LEU 123 Ca -0.01 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3m4x h LEU 123 Cb 1.18 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 3m4x h LEU 123 CO 0.09 0.51 0.46 0.00 0.09 0.00 0.00 178.44 179.59 3m4x h ALA 124 N 0.85 1.36 -0.60 1.53 0.00 -0.96 -1.06 119.26 120.37 3m4x h ALA 124 Ca 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3m4x h ALA 124 Cb 0.31 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3m4x h ALA 124 CO 0.00 0.55 0.22 0.00 0.00 0.00 0.00 179.25 180.02 3m4x h ALA 125 N 1.45 1.26 0.00 0.00 0.00 -1.24 -2.54 119.26 118.19 3m4x h ALA 125 Ca 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3m4x h ALA 125 Cb -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3m4x h ALA 125 CO -0.05 0.54 0.00 1.04 0.00 0.00 0.00 179.25 180.78 3m4x n GLN 126 N -4.31 0.46 0.00 0.00 6.02 -0.40 -4.81 117.38 114.34 3m4x n GLN 126 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3m4x n GLN 126 Cb 0.18 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.18 3m4x n GLN 126 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3m4x n LYS 128 N 0.65 0.00 -0.91 -1.09 5.02 -0.95 -3.99 118.16 116.89 3m4x n LYS 128 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3m4x n LYS 128 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.21 3m4x n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3m4x n GLY 129 N 0.00 0.68 3.88 0.72 0.00 -1.26 -5.01 105.19 104.20 3m4x n GLY 129 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3m4x n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m4x s LYS 130 N -0.29 3.37 1.55 1.61 1.02 -1.26 -4.69 119.74 121.05 3m4x s LYS 130 Ca 0.00 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.63 3m4x s LYS 130 Cb 0.00 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.26 3m4x s LYS 130 CO 0.00 0.67 0.00 0.41 -0.92 0.00 0.00 175.35 175.51 3m4x n GLY 131 N 0.95 -1.25 2.79 -3.33 0.00 -1.26 -2.20 105.19 100.89 3m4x n GLY 131 Ca -0.11 -1.48 -0.20 0.00 0.00 0.00 0.00 46.02 44.23 3m4x n GLY 131 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3m4x s LEU 132 N 0.00 0.83 -0.31 0.99 2.96 -0.60 -4.87 118.68 117.68 3m4x s LEU 132 Ca 0.00 -0.05 -0.06 0.00 -0.22 0.00 0.00 54.13 53.80 3m4x s LEU 132 Cb 0.00 -0.34 0.03 0.00 0.50 0.00 0.00 46.19 46.38 3m4x s LEU 132 CO 0.00 -0.15 0.07 -0.22 -1.32 0.00 0.00 176.35 174.73 3m4x s LEU 133 N 1.53 4.04 -0.20 -0.68 0.20 -0.69 -0.58 118.68 122.30 3m4x s LEU 133 Ca -0.02 -1.01 -0.09 0.00 0.69 0.00 0.00 54.13 53.70 3m4x s LEU 133 Cb -0.13 -1.84 -0.05 0.00 -0.43 0.00 0.00 46.19 43.75 3m4x s LEU 133 CO -0.03 -0.26 0.11 0.54 -0.29 0.00 0.00 176.35 176.42 3m4x s VAL 134 N 1.41 5.18 -0.22 1.68 0.11 0.37 -0.95 120.40 127.98 3m4x s VAL 134 Ca -0.01 0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.17 3m4x s VAL 134 Cb -0.19 -3.36 0.05 0.00 -1.53 0.00 0.00 36.38 31.35 3m4x s VAL 134 CO 0.02 0.43 -0.11 -0.89 -3.33 0.00 0.00 175.10 171.22 3m4x s THR 135 N 0.47 1.81 -0.08 5.04 2.01 -0.41 -0.84 115.64 123.64 3m4x s THR 135 Ca 0.06 -1.18 0.00 0.00 0.31 0.00 0.00 61.69 60.88 3m4x s THR 135 Cb -0.12 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 3m4x s THR 135 CO -0.00 0.13 -0.07 0.21 -0.69 0.00 0.00 174.62 174.20 3m4x s ASN 136 N 1.31 4.65 -0.02 3.53 2.47 -0.08 0.01 114.94 126.81 3m4x s ASN 136 Ca -0.03 -0.05 0.02 0.00 0.42 0.00 0.00 52.86 53.22 3m4x s ASN 136 Cb -0.17 -1.28 0.00 0.00 -1.45 0.00 0.00 41.25 38.35 3m4x s ASN 136 CO -0.08 0.33 -0.07 -0.70 -3.72 0.00 0.00 177.10 172.86 3m4x s GLU 137 N -0.59 0.78 0.06 0.43 2.56 -0.23 -1.15 118.70 120.56 3m4x s GLU 137 Ca 0.09 -0.25 0.05 0.00 0.00 0.00 0.00 54.97 54.86 3m4x s GLU 137 Cb -0.12 -0.75 -0.24 0.00 2.00 0.00 0.00 34.13 35.03 3m4x s GLU 137 CO 0.02 0.09 1.07 0.97 -0.56 0.00 0.00 175.26 176.85 3m4x h ILE 138 N 5.36 1.42 -3.29 -3.70 2.10 -1.86 -3.08 117.51 114.46 3m4x h ILE 138 Ca -0.33 -3.13 -0.60 0.00 1.08 0.00 0.00 64.86 61.89 3m4x h ILE 138 Cb 1.17 2.76 -0.09 0.00 -1.09 0.00 0.00 36.82 39.58 3m4x h ILE 138 CO 0.49 0.84 0.47 -0.36 -1.08 0.00 0.00 178.15 178.51 3m4x s PHE 139 N -2.66 3.30 0.29 2.19 0.40 -1.26 -4.68 117.98 115.56 3m4x s PHE 139 Ca -0.02 1.12 0.00 0.00 -0.60 0.00 0.00 56.93 57.43 3m4x s PHE 139 Cb 0.09 -3.06 0.51 0.00 0.51 0.00 0.00 43.02 41.07 3m4x s PHE 139 CO 0.83 -0.41 1.88 -1.35 0.70 0.00 0.00 175.22 176.87 3m4x h PRO 140 N 7.70 1.02 -0.43 0.24 0.11 -1.95 0.27 132.00 138.96 3m4x h PRO 140 Ca -0.23 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 3m4x h PRO 140 Cb 1.09 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 3m4x h PRO 140 CO 0.87 0.68 0.18 1.57 -0.21 0.00 0.00 178.00 181.09 3m4x h LYS 141 N 1.05 0.64 -0.02 1.05 2.10 -1.98 -2.51 116.57 116.90 3m4x h LYS 141 Ca 0.44 -0.11 -0.16 0.00 -2.00 0.00 0.00 60.65 58.83 3m4x h LYS 141 Cb 0.31 -0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 31.51 3m4x h LYS 141 CO -0.19 0.58 -0.70 0.00 -2.00 0.00 0.00 179.45 177.13 3m4x h ARG 142 N 0.56 0.11 -0.67 0.07 3.08 -1.61 -3.00 114.38 112.92 3m4x h ARG 142 Ca 0.15 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3m4x h ARG 142 Cb 0.17 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 3m4x h ARG 142 CO -0.01 0.77 0.34 0.00 -1.07 0.00 0.00 179.97 179.99 3m4x h ALA 143 N 1.21 1.34 -0.45 0.04 0.00 -0.33 0.13 119.26 121.20 3m4x h ALA 143 Ca -0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3m4x h ALA 143 Cb 1.24 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3m4x h ALA 143 CO 0.10 0.52 0.28 -0.22 0.00 0.00 0.00 179.25 179.93 3m4x h LYS 144 N 0.93 0.60 -0.32 0.00 1.63 -1.31 0.48 116.57 118.58 3m4x h LYS 144 Ca 0.23 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.97 3m4x h LYS 144 Cb 0.07 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 3m4x h LYS 144 CO -0.03 0.43 0.17 0.82 -3.45 0.00 0.00 179.45 177.38 3m4x h ILE 145 N 0.59 1.14 -0.31 2.00 1.08 -1.34 -0.43 117.51 120.24 3m4x h ILE 145 Ca 0.16 -0.39 0.01 0.00 -0.39 0.00 0.00 64.86 64.25 3m4x h ILE 145 Cb -0.02 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 34.53 3m4x h ILE 145 CO -0.03 0.15 0.19 0.25 -0.69 0.00 0.00 178.15 178.02 3m4x h LEU 146 N 0.39 0.31 -0.79 1.44 5.85 -0.25 -1.38 115.31 120.90 3m4x h LEU 146 Ca 0.11 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3m4x h LEU 146 Cb 0.09 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 3m4x h LEU 146 CO -0.02 0.23 0.50 -1.28 -0.34 0.00 0.00 178.44 177.53 3m4x h SER 147 N 0.39 0.83 0.23 1.25 0.87 0.20 -1.52 113.55 115.79 3m4x h SER 147 Ca 0.12 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.58 3m4x h SER 147 Cb -0.01 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 3m4x h SER 147 CO -0.05 0.57 -0.37 -0.33 -0.53 0.00 0.00 176.83 176.12 3m4x h GLU 148 N 0.98 0.21 -0.24 2.24 5.08 -0.67 -2.38 114.58 119.79 3m4x h GLU 148 Ca 0.31 -0.09 -0.18 0.00 -1.00 0.00 0.00 59.36 58.40 3m4x h GLU 148 Cb 0.01 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3m4x h GLU 148 CO -0.11 0.56 -0.58 -0.91 -1.00 0.00 0.00 179.01 176.96 3m4x h ASN 149 N 0.18 0.85 -0.03 1.42 2.35 -0.82 -1.67 115.58 117.86 3m4x h ASN 149 Ca 0.02 -0.47 0.01 0.00 -0.55 0.00 0.00 56.30 55.30 3m4x h ASN 149 Cb 0.75 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3m4x h ASN 149 CO 0.06 1.25 -0.01 0.40 -1.65 0.00 0.00 177.43 177.48 3m4x h ILE 150 N 0.57 0.97 -0.72 2.81 5.03 -1.12 -0.71 117.51 124.34 3m4x h ILE 150 Ca 0.00 -0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.79 3m4x h ILE 150 Cb 1.17 0.97 -0.05 0.00 -3.03 0.00 0.00 36.82 35.88 3m4x h ILE 150 CO 0.12 0.00 0.44 -0.08 -0.68 0.00 0.00 178.15 177.95 3m4x h GLU 151 N 0.00 0.80 -0.67 2.37 4.81 -1.45 -2.19 114.58 118.25 3m4x h GLU 151 Ca 0.02 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 3m4x h GLU 151 Cb 0.02 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 3m4x h GLU 151 CO -0.03 0.53 0.26 -0.09 -0.73 0.00 0.00 179.01 178.95 3m4x h ARG 152 N 0.83 0.99 0.00 1.92 2.43 -0.88 -1.76 114.38 117.90 3m4x h ARG 152 Ca 0.31 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3m4x h ARG 152 Cb 0.11 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3m4x h ARG 152 CO -0.15 0.81 0.00 1.87 -1.51 0.00 0.00 179.97 181.00 3m4x n TRP 153 N -4.30 0.58 -1.55 2.20 -0.00 -0.31 -3.64 117.44 110.42 3m4x n TRP 153 Ca 0.06 0.20 0.00 0.00 -0.00 0.00 0.00 57.50 57.76 3m4x n TRP 153 Cb 0.18 -0.82 0.00 0.00 -0.00 0.00 0.00 31.31 30.67 3m4x n TRP 153 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3m4x n GLY 154 N 0.60 0.53 3.69 5.87 0.00 -0.66 -4.85 105.19 110.36 3m4x n GLY 154 Ca 0.04 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 3m4x n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m4x s VAL 155 N -2.00 4.83 -0.76 1.61 1.01 -0.97 -4.59 120.40 119.53 3m4x s VAL 155 Ca 0.00 1.94 0.15 0.00 0.00 0.00 0.00 61.98 64.07 3m4x s VAL 155 Cb 0.00 -4.27 -0.15 0.00 0.00 0.00 0.00 36.38 31.96 3m4x s VAL 155 CO 0.00 0.04 0.65 -1.54 0.00 0.00 0.00 175.10 174.25 3m4x n SER 156 N 4.83 0.77 -0.80 3.32 3.41 -1.26 -4.59 113.62 119.30 3m4x n SER 156 Ca 0.07 -0.89 0.02 0.00 -0.26 0.00 0.00 58.87 57.82 3m4x n SER 156 Cb 0.49 0.95 0.20 0.00 -0.26 0.00 0.00 64.21 65.60 3m4x n SER 156 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3m4x n ASN 157 N -1.24 2.26 -4.68 4.04 6.94 -1.26 -3.30 115.26 118.02 3m4x n ASN 157 Ca 0.03 -3.70 -0.33 0.00 -0.02 0.00 0.00 54.58 50.56 3m4x n ASN 157 Cb 0.24 -0.57 -0.09 0.00 -2.36 0.00 0.00 39.78 37.00 3m4x n ASN 157 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3m4x s ALA 158 N -3.17 3.28 -0.24 -2.53 0.00 -1.26 -1.71 121.76 116.13 3m4x s ALA 158 Ca 0.40 -0.91 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 3m4x s ALA 158 Cb 0.37 -1.37 -0.00 0.00 0.00 0.00 0.00 23.12 22.12 3m4x s ALA 158 CO -0.02 0.63 -0.02 0.42 0.00 0.00 0.00 175.76 176.77 3m4x s ILE 159 N -1.03 3.45 -0.25 0.00 -1.09 -0.13 -0.75 121.20 121.40 3m4x s ILE 159 Ca 0.18 -0.57 -0.17 0.00 -2.23 0.00 0.00 60.65 57.86 3m4x s ILE 159 Cb -0.11 -2.63 -0.03 0.00 -1.58 0.00 0.00 42.46 38.10 3m4x s ILE 159 CO 0.08 0.34 0.46 -0.69 -1.23 0.00 0.00 174.94 173.90 3m4x s VAL 160 N 1.47 5.12 0.12 2.92 1.01 0.19 -1.29 120.40 129.94 3m4x s VAL 160 Ca 0.05 0.78 0.06 0.00 0.00 0.00 0.00 61.98 62.87 3m4x s VAL 160 Cb -0.15 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3m4x s VAL 160 CO -0.02 0.14 -0.03 -0.89 0.00 0.00 0.00 175.10 174.29 3m4x s THR 161 N 2.03 3.74 -0.58 3.92 2.01 0.10 -0.91 115.64 125.96 3m4x s THR 161 Ca 0.20 -1.18 0.06 0.00 0.31 0.00 0.00 61.69 61.07 3m4x s THR 161 Cb -0.16 -2.80 0.24 0.00 0.01 0.00 0.00 72.50 69.80 3m4x s THR 161 CO 0.09 0.06 0.66 -3.20 -0.69 0.00 0.00 174.62 171.54 3m4x n ASN 162 N 0.44 2.67 -4.01 3.53 4.05 -0.67 -1.06 115.26 120.20 3m4x n ASN 162 Ca -0.11 -3.20 -0.08 0.00 0.45 0.00 0.00 54.58 51.64 3m4x n ASN 162 Cb 0.53 -0.67 -0.09 0.00 1.23 0.00 0.00 39.78 40.78 3m4x n ASN 162 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 3m4x s HIS 163 N -1.99 0.39 0.42 1.20 3.76 -1.16 -4.76 115.29 113.15 3m4x s HIS 163 Ca 0.37 -0.90 -0.23 0.00 -0.15 0.00 0.00 55.06 54.15 3m4x s HIS 163 Cb 0.14 -0.28 -0.09 0.00 1.11 0.00 0.00 32.58 33.46 3m4x s HIS 163 CO -0.05 -0.43 1.05 0.00 -0.85 0.00 0.00 174.74 174.46 3m4x s ALA 164 N -3.84 3.05 0.22 -1.40 0.00 -1.26 -3.98 121.76 114.55 3m4x s ALA 164 Ca 0.06 0.69 -0.17 0.00 0.00 0.00 0.00 51.96 52.54 3m4x s ALA 164 Cb 0.07 -3.27 0.23 0.00 0.00 0.00 0.00 23.12 20.14 3m4x s ALA 164 CO -0.10 -0.24 1.58 -1.35 0.00 0.00 0.00 175.76 175.65 3m4x h PRO 165 N 2.32 -0.07 -0.76 0.00 0.11 -1.94 -1.75 132.00 129.92 3m4x h PRO 165 Ca -0.49 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.68 3m4x h PRO 165 Cb 1.22 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 3m4x h PRO 165 CO 0.62 -0.05 0.50 0.00 -0.21 0.00 0.00 178.00 178.86 3m4x h ALA 166 N 1.36 1.63 0.00 -0.75 0.00 -1.92 0.24 119.26 119.83 3m4x h ALA 166 Ca 0.31 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3m4x h ALA 166 Cb 0.57 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3m4x h ALA 166 CO -0.80 0.26 -0.00 0.93 0.00 0.00 0.00 179.25 179.64 3m4x h GLU 167 N 0.84 0.00 0.00 0.00 5.08 -1.71 -2.54 114.58 116.26 3m4x h GLU 167 Ca 0.32 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.53 3m4x h GLU 167 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3m4x h GLU 167 CO -0.10 0.00 -1.08 -0.07 -1.00 0.00 0.00 179.01 176.76 3m4x h LEU 168 N 0.00 0.00 -0.31 1.33 3.38 -0.97 -3.39 115.31 115.35 3m4x h LEU 168 Ca -0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3m4x h LEU 168 Cb 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 3m4x h LEU 168 CO 0.00 0.59 -0.15 0.58 0.09 0.00 0.00 178.44 179.55 3m4x h VAL 169 N 0.00 0.54 -0.77 1.22 2.07 -1.46 -0.53 116.25 117.31 3m4x h VAL 169 Ca -0.10 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.58 3m4x h VAL 169 Cb 1.54 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 3m4x h VAL 169 CO 0.06 0.00 0.52 -0.65 0.02 0.00 0.00 177.57 177.52 3m4x h PRO 170 N -0.10 0.36 0.00 1.57 0.11 -1.76 0.47 132.00 132.65 3m4x h PRO 170 Ca 0.16 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.20 3m4x h PRO 170 Cb 0.34 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 3m4x h PRO 170 CO -0.37 0.24 -0.49 0.45 -0.21 0.00 0.00 178.00 177.62 3m4x h HIS 171 N 0.37 0.00 0.00 0.65 3.86 -1.39 -3.39 115.15 115.25 3m4x h HIS 171 Ca 0.38 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 3m4x h HIS 171 Cb 0.95 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.42 3m4x h HIS 171 CO -0.00 0.18 -0.23 1.19 0.86 0.00 0.00 177.93 179.94 3m4x n PHE 172 N -3.02 0.00 -1.66 2.45 3.01 -0.54 -4.99 117.46 112.72 3m4x n PHE 172 Ca 0.01 -0.27 -0.50 0.00 1.01 0.00 0.00 57.45 57.70 3m4x n PHE 172 Cb 0.62 -0.06 -0.05 0.00 -0.01 0.00 0.00 39.48 39.97 3m4x n PHE 172 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3m4x n SER 173 N -0.37 2.71 -1.76 4.37 2.88 0.04 -1.39 113.62 120.11 3m4x n SER 173 Ca 0.03 1.06 -0.19 0.00 -1.33 0.00 0.00 58.87 58.44 3m4x n SER 173 Cb 0.59 -1.31 -0.07 0.00 -0.75 0.00 0.00 64.21 62.68 3m4x n SER 173 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3m4x n GLY 174 N 3.56 1.30 0.14 0.46 0.00 0.99 -4.83 105.19 106.80 3m4x n GLY 174 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 3m4x n GLY 174 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3m4x h PHE 175 N 0.00 0.54 -3.20 1.61 3.57 -1.44 -3.34 116.94 114.67 3m4x h PHE 175 Ca -0.41 -0.39 -0.58 0.00 3.53 0.00 0.00 57.97 60.12 3m4x h PHE 175 Cb 1.29 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.96 3m4x h PHE 175 CO 0.56 1.73 -0.12 -0.06 -2.23 0.00 0.00 178.31 178.18 3m4x s PHE 176 N -2.55 3.67 0.19 0.41 0.40 -1.26 -4.73 117.98 114.11 3m4x s PHE 176 Ca -0.21 1.05 0.18 0.00 -0.60 0.00 0.00 56.93 57.36 3m4x s PHE 176 Cb 0.06 -2.35 0.69 0.00 0.51 0.00 0.00 43.02 41.93 3m4x s PHE 176 CO 0.79 0.52 1.74 -0.44 0.70 0.00 0.00 175.22 178.53 3m4x h ASP 177 N 4.03 0.00 -3.18 1.36 3.32 -1.32 0.53 116.42 121.16 3m4x h ASP 177 Ca -0.50 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 3m4x h ASP 177 Cb 1.20 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.53 3m4x h ASP 177 CO 0.64 0.38 -0.02 -0.60 -1.72 0.00 0.00 179.24 177.92 3m4x s ARG 178 N -3.64 0.67 -0.04 3.56 3.52 -1.04 -0.38 118.95 121.59 3m4x s ARG 178 Ca -0.00 1.12 0.02 0.00 -0.13 0.00 0.00 55.73 56.73 3m4x s ARG 178 Cb 0.11 0.15 0.02 0.00 -1.56 0.00 0.00 34.95 33.67 3m4x s ARG 178 CO 0.69 -0.14 -0.06 0.42 -0.81 0.00 0.00 175.30 175.39 3m4x s ILE 179 N 1.41 0.65 -0.21 4.11 1.01 0.38 -0.67 121.20 127.88 3m4x s ILE 179 Ca -0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 3m4x s ILE 179 Cb -0.05 -0.63 -0.02 0.00 0.01 0.00 0.00 42.46 41.77 3m4x s ILE 179 CO -0.16 0.24 -0.02 -0.69 0.00 0.00 0.00 174.94 174.31 3m4x s VAL 180 N 0.68 3.62 -0.44 2.92 1.01 0.54 -0.35 120.40 128.38 3m4x s VAL 180 Ca -0.10 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3m4x s VAL 180 Cb -0.13 -2.64 0.12 0.00 0.00 0.00 0.00 36.38 33.73 3m4x s VAL 180 CO 0.01 0.42 0.20 -0.69 0.00 0.00 0.00 175.10 175.04 3m4x s VAL 181 N 1.25 2.86 -0.93 2.92 1.01 0.57 -1.33 120.40 126.75 3m4x s VAL 181 Ca 0.03 -2.58 -0.17 0.00 0.00 0.00 0.00 61.98 59.26 3m4x s VAL 181 Cb -0.14 -2.99 0.16 0.00 0.00 0.00 0.00 36.38 33.40 3m4x s VAL 181 CO -0.00 -0.71 1.07 -0.62 0.00 0.00 0.00 175.10 174.83 3m4x s ASP 182 N 0.87 6.70 0.31 3.32 2.15 -1.26 -0.95 116.67 127.82 3m4x s ASP 182 Ca 0.12 -2.28 -0.28 0.00 0.43 0.00 0.00 52.55 50.54 3m4x s ASP 182 Cb -0.22 -2.35 -0.09 0.00 -0.30 0.00 0.00 42.92 39.96 3m4x s ASP 182 CO -0.04 -0.92 1.08 0.00 -0.17 0.00 0.00 175.17 175.12 3m4x s ALA 183 N 1.97 3.31 0.27 3.66 0.00 -0.36 -4.69 121.76 125.92 3m4x s ALA 183 Ca 0.30 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 52.80 3m4x s ALA 183 Cb -0.06 -3.31 -0.13 0.00 0.00 0.00 0.00 23.12 19.62 3m4x s ALA 183 CO -0.09 -0.18 1.32 -2.30 0.00 0.00 0.00 175.76 174.51 3m4x n PRO 184 N 0.82 1.95 -4.01 0.00 -0.02 -1.26 -4.69 135.00 127.80 3m4x n PRO 184 Ca 0.01 0.69 -0.15 0.00 -2.02 0.00 0.00 63.50 62.03 3m4x n PRO 184 Cb 0.46 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 3m4x n PRO 184 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m4x h SER 186 N 2.00 0.00 -1.50 0.00 4.64 -1.91 -3.47 113.55 113.32 3m4x h SER 186 Ca -0.28 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.96 3m4x h SER 186 Cb 1.21 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.31 3m4x h SER 186 CO 0.38 0.00 -0.13 0.61 -0.87 0.00 0.00 176.83 176.81 3m4x n GLY 187 N -0.29 0.46 0.12 -0.77 0.00 -1.26 -4.84 105.19 98.61 3m4x n GLY 187 Ca -0.00 -0.56 0.13 0.00 0.00 0.00 0.00 46.02 45.58 3m4x n GLY 187 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3m4x h GLU 188 N -0.36 0.00 -1.94 1.61 5.08 -1.89 -3.27 114.58 113.82 3m4x h GLU 188 Ca -0.12 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.98 3m4x h GLU 188 Cb 1.08 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.23 3m4x h GLU 188 CO 0.12 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.54 3m4x n GLY 189 N 0.86 3.44 4.45 -3.84 0.00 0.65 -4.78 105.19 105.97 3m4x n GLY 189 Ca 0.04 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3m4x n GLY 189 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3m4x n PHE 191 N 1.59 0.00 -0.18 1.61 3.01 -1.23 -4.49 117.46 117.76 3m4x n PHE 191 Ca 0.36 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.74 3m4x n PHE 191 Cb 0.70 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.19 3m4x n PHE 191 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3m4x h ARG 192 N 0.00 0.75 0.04 -1.08 3.08 -1.86 -3.34 114.38 111.97 3m4x h ARG 192 Ca 0.00 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 3m4x h ARG 192 Cb 0.00 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 29.92 3m4x h ARG 192 CO 0.00 0.60 -0.32 -0.22 -1.07 0.00 0.00 179.97 178.97 3m4x h LYS 193 N 0.70 0.14 -4.67 0.04 3.64 -1.97 -3.43 116.57 111.03 3m4x h LYS 193 Ca 0.18 -0.21 -0.66 0.00 -1.27 0.00 0.00 60.65 58.70 3m4x h LYS 193 Cb 0.09 0.07 -0.39 0.00 -0.41 0.00 0.00 32.23 31.59 3m4x h LYS 193 CO -0.03 1.04 -0.74 0.34 -2.27 0.00 0.00 179.45 177.80 3m4x s ASP 194 N -6.46 4.66 0.56 4.20 2.15 -1.25 -4.97 116.67 115.56 3m4x s ASP 194 Ca -0.16 -1.97 0.37 0.00 0.43 0.00 0.00 52.55 51.21 3m4x s ASP 194 Cb -0.01 -1.57 1.99 0.00 -0.30 0.00 0.00 42.92 43.03 3m4x s ASP 194 CO 0.75 -0.34 2.12 -0.65 -0.17 0.00 0.00 175.17 176.87 3m4x h PRO 195 N 7.67 0.00 -0.07 4.34 0.11 -1.84 0.22 132.00 142.43 3m4x h PRO 195 Ca -0.08 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.92 3m4x h PRO 195 Cb 1.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3m4x h PRO 195 CO 0.50 0.00 -0.49 -0.91 -0.21 0.00 0.00 178.00 176.89 3m4x h ASN 196 N 0.00 0.19 -0.72 -2.05 2.35 -1.93 -3.04 115.58 110.38 3m4x h ASN 196 Ca 0.00 -0.09 0.10 0.00 -0.55 0.00 0.00 56.30 55.76 3m4x h ASN 196 Cb 0.07 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.34 3m4x h ASN 196 CO 0.00 0.65 0.47 0.00 -1.65 0.00 0.00 177.43 176.91 3m4x h ALA 197 N 1.35 1.86 -0.07 -0.83 0.00 -0.92 -0.59 119.26 120.06 3m4x h ALA 197 Ca 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3m4x h ALA 197 Cb 0.92 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3m4x h ALA 197 CO 0.07 -0.01 -0.08 0.82 0.00 0.00 0.00 179.25 180.06 3m4x h ILE 198 N 0.61 1.38 -0.90 0.00 2.04 -1.62 -2.78 117.51 116.23 3m4x h ILE 198 Ca 0.33 -1.26 0.15 0.00 1.00 0.00 0.00 64.86 65.08 3m4x h ILE 198 Cb 0.48 2.05 -0.10 0.00 -0.74 0.00 0.00 36.82 38.51 3m4x h ILE 198 CO -0.11 0.35 0.49 0.11 0.00 0.00 0.00 178.15 178.99 3m4x h LYS 199 N -0.26 0.68 0.00 2.37 1.79 -1.33 -2.12 116.57 117.71 3m4x h LYS 199 Ca 0.01 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3m4x h LYS 199 Cb 0.60 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 3m4x h LYS 199 CO 0.02 0.45 -0.18 0.39 -1.08 0.00 0.00 179.45 179.04 3m4x n GLU 200 N -4.82 0.06 -2.49 3.15 -0.58 -0.30 -4.85 120.64 110.82 3m4x n GLU 200 Ca 0.18 0.04 -0.41 0.00 -0.42 0.00 0.00 57.16 56.55 3m4x n GLU 200 Cb 0.45 -1.56 -0.03 0.00 -0.57 0.00 0.00 31.44 29.73 3m4x n GLU 200 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 3m4x s TRP 201 N -3.03 3.53 0.37 -0.32 -0.00 -0.80 -5.02 118.94 113.67 3m4x s TRP 201 Ca 0.12 1.48 0.03 0.00 -0.00 0.00 0.00 56.10 57.74 3m4x s TRP 201 Cb 0.17 -3.33 -0.04 0.00 -0.00 0.00 0.00 33.47 30.27 3m4x s TRP 201 CO 0.60 -0.85 0.09 0.95 -0.00 0.00 0.00 176.95 177.74 3m4x s THR 202 N 0.38 0.85 -0.02 5.86 -4.23 -1.26 -5.03 115.64 112.19 3m4x s THR 202 Ca 0.53 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.36 3m4x s THR 202 Cb -0.29 -2.54 0.36 0.00 1.34 0.00 0.00 72.50 71.37 3m4x s THR 202 CO 0.32 0.00 1.93 -0.08 -0.54 0.00 0.00 174.62 176.25 3m4x h GLU 203 N 1.94 0.00 -0.01 3.99 4.81 -1.96 -2.70 114.58 120.65 3m4x h GLU 203 Ca -0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 3m4x h GLU 203 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3m4x h GLU 203 CO 0.63 0.00 -0.37 0.39 -0.73 0.00 0.00 179.01 178.93 3m4x n GLU 204 N -2.88 1.14 -0.17 1.92 1.02 -1.26 -4.46 120.64 115.95 3m4x n GLU 204 Ca 0.01 -0.86 -0.07 0.00 -0.02 0.00 0.00 57.16 56.21 3m4x n GLU 204 Cb 0.28 -1.48 0.02 0.00 -0.02 0.00 0.00 31.44 30.23 3m4x n GLU 204 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 3m4x h SER 205 N 2.10 0.59 -0.38 1.62 0.02 -1.88 -2.11 113.55 113.51 3m4x h SER 205 Ca 0.00 -0.05 0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3m4x h SER 205 Cb 0.67 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 3m4x h SER 205 CO 0.00 0.47 0.16 -0.65 -1.14 0.00 0.00 176.83 175.67 3m4x h PRO 206 N 0.66 0.32 -0.22 3.45 0.11 -1.79 0.45 132.00 134.99 3m4x h PRO 206 Ca 0.18 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 66.09 3m4x h PRO 206 Cb -0.01 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.02 3m4x h PRO 206 CO -0.03 0.21 -0.58 -0.07 -0.21 0.00 0.00 178.00 177.32 3m4x h LEU 207 N 0.33 0.78 -0.78 2.35 -0.00 -1.85 0.15 115.31 116.29 3m4x h LEU 207 Ca 0.17 -0.43 0.04 0.00 -0.00 0.00 0.00 57.88 57.66 3m4x h LEU 207 Cb 0.12 -0.22 -0.05 0.00 -0.00 0.00 0.00 40.66 40.51 3m4x h LEU 207 CO -0.15 1.19 0.49 0.22 -0.00 0.00 0.00 178.44 180.18 3m4x h TYR 208 N 0.52 0.91 -0.15 1.13 3.20 -1.13 -2.32 116.97 119.13 3m4x h TYR 208 Ca 0.00 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.71 3m4x h TYR 208 Cb 1.16 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 39.13 3m4x h TYR 208 CO 0.06 0.50 -0.67 0.00 -1.64 0.00 0.00 178.16 176.41 3m4x h GLN 210 N 0.43 0.07 -0.72 0.00 4.15 -0.36 0.12 115.11 118.80 3m4x h GLN 210 Ca -0.02 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 3m4x h GLN 210 Cb 1.25 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.89 3m4x h GLN 210 CO 0.13 0.05 0.29 0.87 -1.93 0.00 0.00 178.83 178.24 3m4x h LYS 211 N 0.08 1.06 -0.29 1.69 1.57 -1.39 -1.76 116.57 117.53 3m4x h LYS 211 Ca 0.21 -0.18 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 3m4x h LYS 211 Cb 0.32 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3m4x h LYS 211 CO -0.38 0.86 -0.37 -0.09 -0.57 0.00 0.00 179.45 178.89 3m4x h ARG 212 N 1.04 0.67 -0.78 3.15 2.43 -1.28 -2.42 114.38 117.19 3m4x h ARG 212 Ca 0.24 -0.33 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3m4x h ARG 212 Cb 0.19 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 3m4x h ARG 212 CO -0.02 0.93 0.50 1.96 -1.51 0.00 0.00 179.97 181.84 3m4x h GLN 213 N 0.56 0.98 -0.73 0.20 4.20 -0.27 -1.32 115.11 118.73 3m4x h GLN 213 Ca 0.05 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 3m4x h GLN 213 Cb 0.89 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 3m4x h GLN 213 CO 0.08 0.65 0.23 1.96 -0.67 0.00 0.00 178.83 181.08 3m4x h GLN 214 N 1.01 1.12 -0.41 1.46 4.20 -1.11 -0.88 115.11 120.50 3m4x h GLN 214 Ca 0.30 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 3m4x h GLN 214 Cb -0.05 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 3m4x h GLN 214 CO -0.09 0.95 0.04 0.93 -0.67 0.00 0.00 178.83 179.99 3m4x h GLU 215 N 1.08 0.70 -0.33 1.46 5.08 -0.92 -1.04 114.58 120.60 3m4x h GLU 215 Ca 0.24 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3m4x h GLU 215 Cb 0.29 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3m4x h GLU 215 CO -0.01 0.75 0.15 0.82 -1.00 0.00 0.00 179.01 179.73 3m4x h ILE 216 N 0.54 1.16 0.00 3.13 2.04 -1.02 -2.99 117.51 120.37 3m4x h ILE 216 Ca 0.12 -0.47 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 3m4x h ILE 216 Cb 0.41 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3m4x h ILE 216 CO 0.01 0.17 -0.34 -0.07 0.00 0.00 0.00 178.15 177.92 3m4x h LEU 217 N 0.39 0.00 -0.87 1.44 3.38 -1.07 -1.26 115.31 117.33 3m4x h LEU 217 Ca 0.11 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 3m4x h LEU 217 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3m4x h LEU 217 CO -0.01 0.34 -0.55 0.77 0.09 0.00 0.00 178.44 179.07 3m4x h SER 218 N 0.00 0.00 -0.02 -0.43 4.64 -1.05 -1.29 113.55 115.40 3m4x h SER 218 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 3m4x h SER 218 Cb 0.65 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.75 3m4x h SER 218 CO 0.04 0.55 -0.54 0.28 -0.87 0.00 0.00 176.83 176.29 3m4x h SER 219 N 0.00 0.52 -0.25 4.97 0.02 -1.32 -3.34 113.55 114.15 3m4x h SER 219 Ca -0.01 -0.73 0.05 0.00 -0.84 0.00 0.00 61.79 60.26 3m4x h SER 219 Cb 1.00 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.34 3m4x h SER 219 CO 0.07 1.18 -0.03 0.00 -1.14 0.00 0.00 176.83 176.91 3m4x h ALA 220 N 0.35 0.19 -0.10 3.77 0.00 -0.99 -2.33 119.26 120.15 3m4x h ALA 220 Ca -0.06 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3m4x h ALA 220 Cb 1.24 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 3m4x h ALA 220 CO 0.11 -0.44 0.07 0.82 0.00 0.00 0.00 179.25 179.81 3m4x h ILE 221 N 0.04 0.96 0.00 0.00 2.04 -1.38 -3.29 117.51 115.88 3m4x h ILE 221 Ca 0.12 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 3m4x h ILE 221 Cb 0.17 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3m4x h ILE 221 CO -0.22 0.00 0.05 0.29 0.00 0.00 0.00 178.15 178.27 3m4x n LYS 222 N -4.51 0.40 -1.73 2.37 5.02 -0.88 -4.89 118.16 113.93 3m4x n LYS 222 Ca -0.01 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3m4x n LYS 222 Cb 0.17 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 3m4x n LYS 222 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3m4x n LEU 224 N 2.08 -2.34 -4.80 -0.35 7.99 -1.24 -0.01 117.00 118.33 3m4x n LEU 224 Ca 0.03 3.26 -0.29 0.00 -0.01 0.00 0.00 56.01 59.00 3m4x n LEU 224 Cb 0.19 -3.33 0.11 0.00 -0.11 0.00 0.00 43.42 40.29 3m4x n LEU 224 CO 0.05 0.46 0.71 -0.54 -1.51 0.00 0.00 177.39 176.57 3m4x s LYS 225 N -3.54 1.66 0.18 3.23 1.02 0.18 -4.13 119.74 118.34 3m4x s LYS 225 Ca 0.00 0.47 -0.32 0.00 0.02 0.00 0.00 55.97 56.14 3m4x s LYS 225 Cb 0.00 -1.88 -0.12 0.00 -0.52 0.00 0.00 37.83 35.31 3m4x s LYS 225 CO 0.00 -1.88 1.74 -1.71 -0.92 0.00 0.00 175.35 172.58 3m4x n ASN 226 N -3.58 3.90 -0.12 2.83 2.85 -1.26 -1.16 115.26 118.73 3m4x n ASN 226 Ca 0.07 1.04 -0.02 0.00 -0.11 0.00 0.00 54.58 55.57 3m4x n ASN 226 Cb 0.58 -1.55 -0.01 0.00 1.24 0.00 0.00 39.78 40.04 3m4x n ASN 226 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3m4x n LYS 227 N 4.37 -0.85 -1.10 1.20 5.02 0.14 -5.01 118.16 121.93 3m4x n LYS 227 Ca 0.17 0.32 -0.31 0.00 -2.02 0.00 0.00 58.31 56.47 3m4x n LYS 227 Cb 0.35 -4.03 0.12 0.00 -0.02 0.00 0.00 35.03 31.44 3m4x n LYS 227 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3m4x s GLY 228 N -2.15 1.76 -0.02 0.72 0.00 -0.31 -4.68 107.32 102.63 3m4x s GLY 228 Ca 0.00 0.44 0.05 0.00 0.00 0.00 0.00 44.72 45.21 3m4x s GLY 228 CO 0.00 0.82 -0.16 1.20 0.00 0.00 0.00 173.10 174.96 3m4x s GLN 229 N -4.69 2.37 -0.16 2.90 -0.21 0.49 -1.13 119.66 119.23 3m4x s GLN 229 Ca 0.64 -0.79 0.01 0.00 0.02 0.00 0.00 55.36 55.24 3m4x s GLN 229 Cb -0.20 -2.31 0.00 0.00 1.00 0.00 0.00 33.01 31.50 3m4x s GLN 229 CO 0.55 0.60 -0.17 -1.17 -2.12 0.00 0.00 175.29 172.98 3m4x s LEU 230 N -0.95 2.38 -0.22 2.90 2.96 0.30 -0.47 118.68 125.57 3m4x s LEU 230 Ca 0.13 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 53.47 3m4x s LEU 230 Cb -0.11 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 3m4x s LEU 230 CO 0.02 0.07 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.48 3m4x s ILE 231 N 0.89 3.69 -0.09 6.68 1.09 0.53 -0.02 121.20 133.97 3m4x s ILE 231 Ca -0.04 -0.39 0.01 0.00 -1.10 0.00 0.00 60.65 59.13 3m4x s ILE 231 Cb -0.15 -2.69 -0.03 0.00 -1.06 0.00 0.00 42.46 38.53 3m4x s ILE 231 CO -0.02 0.40 -0.09 -0.47 -0.10 0.00 0.00 174.94 174.66 3m4x s TYR 232 N 1.44 2.88 0.12 3.97 5.04 0.08 -0.32 117.35 130.56 3m4x s TYR 232 Ca 0.05 -0.18 -0.10 0.00 -2.44 0.00 0.00 57.07 54.39 3m4x s TYR 232 Cb -0.15 -1.76 0.00 0.00 0.35 0.00 0.00 41.96 40.41 3m4x s TYR 232 CO -0.01 0.15 0.26 -1.54 -1.34 0.00 0.00 175.55 173.07 3m4x s SER 233 N -0.40 0.02 -0.01 4.32 1.04 -0.12 -0.48 113.70 118.07 3m4x s SER 233 Ca 0.05 -0.64 -0.22 0.00 0.48 0.00 0.00 55.95 55.63 3m4x s SER 233 Cb -0.12 0.39 0.04 0.00 0.10 0.00 0.00 66.02 66.44 3m4x s SER 233 CO 0.02 -0.80 0.48 -0.89 0.98 0.00 0.00 173.24 173.03 3m4x s THR 234 N -3.88 0.04 -0.59 2.02 2.01 -0.47 -1.23 115.64 113.55 3m4x s THR 234 Ca 0.08 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.80 3m4x s THR 234 Cb 0.04 -0.85 0.42 0.00 0.01 0.00 0.00 72.50 72.11 3m4x s THR 234 CO -0.08 -0.16 1.64 0.00 -0.69 0.00 0.00 174.62 175.32 3m4x s THR 236 N -5.01 0.24 -0.40 0.00 -1.32 -1.26 -0.25 115.64 107.63 3m4x s THR 236 Ca 0.54 -1.89 0.22 0.00 -1.21 0.00 0.00 61.69 59.35 3m4x s THR 236 Cb 0.44 -1.86 -0.26 0.00 -1.51 0.00 0.00 72.50 69.31 3m4x s THR 236 CO -0.16 -0.67 0.71 0.49 -2.21 0.00 0.00 174.62 172.78 3m4x n PHE 237 N -0.04 0.08 -1.70 9.09 3.01 -1.26 -4.43 117.46 122.21 3m4x n PHE 237 Ca -0.09 0.02 -0.43 0.00 1.01 0.00 0.00 57.45 57.96 3m4x n PHE 237 Cb 0.63 -0.37 -0.03 0.00 -0.01 0.00 0.00 39.48 39.69 3m4x n PHE 237 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3m4x n ALA 238 N -1.97 2.34 -0.35 4.37 0.00 -1.26 -4.87 120.51 118.76 3m4x n ALA 238 Ca -0.01 0.39 0.10 0.00 0.00 0.00 0.00 53.44 53.93 3m4x n ALA 238 Cb 0.48 -2.49 0.29 0.00 0.00 0.00 0.00 19.45 17.73 3m4x n ALA 238 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3m4x h PRO 239 N 6.92 0.84 -0.32 0.00 0.11 -1.94 -2.14 132.00 135.47 3m4x h PRO 239 Ca -0.44 -0.05 0.09 0.00 0.11 0.00 0.00 66.00 65.71 3m4x h PRO 239 Cb 1.22 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3m4x h PRO 239 CO 0.94 0.56 0.26 0.93 -0.21 0.00 0.00 178.00 180.47 3m4x h GLU 240 N 0.87 0.00 -0.01 1.05 3.07 -1.90 -1.39 114.58 116.27 3m4x h GLU 240 Ca 0.53 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 3m4x h GLU 240 Cb 0.70 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 3m4x h GLU 240 CO -0.31 0.00 -0.65 0.39 -1.40 0.00 0.00 179.01 177.04 3m4x n GLU 241 N -4.22 1.34 0.00 2.33 1.02 -0.85 -4.02 120.64 116.24 3m4x n GLU 241 Ca 0.05 -0.35 0.00 0.00 -0.02 0.00 0.00 57.16 56.83 3m4x n GLU 241 Cb 0.42 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 3m4x n GLU 241 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3m4x n ASN 242 N -0.88 0.00 0.02 1.62 5.03 -0.60 -4.57 115.26 115.87 3m4x n ASN 242 Ca 0.05 0.00 0.11 0.00 0.87 0.00 0.00 54.58 55.61 3m4x n ASN 242 Cb 0.32 0.00 0.55 0.00 -1.02 0.00 0.00 39.78 39.63 3m4x n ASN 242 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 3m4x h GLU 243 N 0.00 0.26 -0.00 3.52 3.07 -1.78 -1.56 114.58 118.08 3m4x h GLU 243 Ca 0.00 -0.02 -0.22 0.00 -0.50 0.00 0.00 59.36 58.62 3m4x h GLU 243 Cb 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.85 3m4x h GLU 243 CO 0.00 0.17 -0.93 0.93 -1.40 0.00 0.00 179.01 177.78 3m4x h GLU 244 N 0.27 0.40 -0.38 2.33 5.08 -1.49 -1.57 114.58 119.23 3m4x h GLU 244 Ca 0.19 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 3m4x h GLU 244 Cb 0.41 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3m4x h GLU 244 CO -0.04 1.09 0.20 0.82 -1.00 0.00 0.00 179.01 180.09 3m4x h ILE 245 N 0.23 1.15 -0.63 3.13 1.08 -1.54 -0.91 117.51 120.02 3m4x h ILE 245 Ca -0.08 -0.40 -0.04 0.00 -0.39 0.00 0.00 64.86 63.96 3m4x h ILE 245 Cb 1.56 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 36.01 3m4x h ILE 245 CO 0.16 0.16 0.24 0.40 -0.69 0.00 0.00 178.15 178.42 3m4x h ILE 246 N 0.48 1.23 0.06 -0.67 1.08 -1.27 -0.20 117.51 118.23 3m4x h ILE 246 Ca 0.13 -0.72 -0.00 0.00 -0.39 0.00 0.00 64.86 63.88 3m4x h ILE 246 Cb 0.07 0.48 0.00 0.00 -3.07 0.00 0.00 36.82 34.30 3m4x h ILE 246 CO -0.02 0.29 -0.03 0.28 -0.69 0.00 0.00 178.15 177.97 3m4x h SER 247 N 0.91 -0.07 -0.67 1.72 0.02 -1.15 -1.14 113.55 113.17 3m4x h SER 247 Ca 0.21 -0.17 0.12 0.00 -0.84 0.00 0.00 61.79 61.12 3m4x h SER 247 Cb 0.19 0.02 -0.09 0.00 0.14 0.00 0.00 62.40 62.67 3m4x h SER 247 CO -0.02 0.13 0.22 -0.25 -1.14 0.00 0.00 176.83 175.77 3m4x h TRP 248 N -0.27 0.37 -0.10 3.45 7.01 -0.97 0.20 115.95 125.64 3m4x h TRP 248 Ca -0.01 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.05 3m4x h TRP 248 Cb 0.24 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.21 3m4x h TRP 248 CO -0.01 0.03 -0.03 -0.07 -2.79 0.00 0.00 178.44 175.57 3m4x h LEU 249 N 0.37 -0.11 -1.36 0.65 3.38 -0.84 -1.68 115.31 115.72 3m4x h LEU 249 Ca 0.36 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.30 3m4x h LEU 249 Cb 0.52 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3m4x h LEU 249 CO -0.39 -0.04 -0.28 0.58 0.09 0.00 0.00 178.44 178.41 3m4x h VAL 250 N -0.01 1.22 0.00 1.22 2.07 -0.31 -1.06 116.25 119.38 3m4x h VAL 250 Ca 0.05 -1.02 -0.19 0.00 0.82 0.00 0.00 66.70 66.36 3m4x h VAL 250 Cb 0.09 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3m4x h VAL 250 CO -0.11 0.30 -0.92 -0.33 0.02 0.00 0.00 177.57 176.52 3m4x h GLU 251 N 0.06 0.00 -0.01 1.57 5.08 -0.42 -3.36 114.58 117.49 3m4x h GLU 251 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3m4x h GLU 251 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3m4x h GLU 251 CO 0.04 0.92 -0.15 0.09 -1.00 0.00 0.00 179.01 178.91 3m4x n ASN 252 N -3.42 1.57 -3.93 1.42 4.13 -0.65 -5.00 115.26 109.38 3m4x n ASN 252 Ca -0.00 -1.29 -0.10 0.00 1.68 0.00 0.00 54.58 54.87 3m4x n ASN 252 Cb 0.88 0.30 -0.10 0.00 -1.54 0.00 0.00 39.78 39.32 3m4x n ASN 252 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3m4x s TYR 253 N -1.32 0.17 -0.94 3.10 1.51 -0.42 -5.05 117.35 114.40 3m4x s TYR 253 Ca 0.11 -0.36 -0.17 0.00 -1.01 0.00 0.00 57.07 55.64 3m4x s TYR 253 Cb 0.10 -0.13 -0.10 0.00 -0.11 0.00 0.00 41.96 41.71 3m4x s TYR 253 CO 0.24 -0.23 2.04 -0.35 -1.11 0.00 0.00 175.55 176.14 3m4x n PRO 254 N 1.52 1.90 -4.62 -1.71 -0.04 -1.26 -4.59 135.00 126.20 3m4x n PRO 254 Ca -0.23 -1.91 -0.28 0.00 -0.04 0.00 0.00 63.50 61.04 3m4x n PRO 254 Cb 0.55 -2.89 -0.14 0.00 -0.04 0.00 0.00 33.50 30.98 3m4x n PRO 254 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3m4x s VAL 255 N 4.33 2.02 -0.05 0.52 -7.23 -1.26 -0.68 120.40 118.05 3m4x s VAL 255 Ca 0.53 -1.48 0.04 0.00 -1.81 0.00 0.00 61.98 59.25 3m4x s VAL 255 Cb 0.14 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 3m4x s VAL 255 CO 0.05 0.19 -0.16 0.42 -0.31 0.00 0.00 175.10 175.30 3m4x s THR 256 N -0.93 2.93 0.15 5.32 -4.23 -0.36 -4.78 115.64 113.75 3m4x s THR 256 Ca 0.11 -0.77 -0.30 0.00 -1.18 0.00 0.00 61.69 59.55 3m4x s THR 256 Cb -0.10 -2.14 -0.07 0.00 1.34 0.00 0.00 72.50 71.53 3m4x s THR 256 CO 0.03 0.59 1.15 -0.63 -0.54 0.00 0.00 174.62 175.22 3m4x s ILE 257 N -0.64 3.83 0.23 2.99 1.01 -1.26 -1.27 121.20 126.09 3m4x s ILE 257 Ca 0.10 1.49 0.11 0.00 0.00 0.00 0.00 60.65 62.35 3m4x s ILE 257 Cb -0.11 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 3m4x s ILE 257 CO 0.01 0.22 -0.21 -0.70 0.00 0.00 0.00 174.94 174.25 3m4x s GLU 258 N 0.03 1.63 0.43 2.79 2.56 0.32 -4.93 118.70 121.53 3m4x s GLU 258 Ca 0.53 -1.60 -0.23 0.00 0.00 0.00 0.00 54.97 53.67 3m4x s GLU 258 Cb -0.30 -1.84 -0.09 0.00 2.00 0.00 0.00 34.13 33.90 3m4x s GLU 258 CO 0.34 0.37 1.06 -1.21 -0.56 0.00 0.00 175.26 175.26 3m4x s GLU 259 N -3.03 4.00 -0.49 4.30 2.02 -1.26 -4.46 118.70 119.78 3m4x s GLU 259 Ca 0.25 1.49 0.01 0.00 0.02 0.00 0.00 54.97 56.75 3m4x s GLU 259 Cb -0.07 -2.38 0.13 0.00 0.10 0.00 0.00 34.13 31.91 3m4x s GLU 259 CO 0.12 -0.28 0.25 0.42 0.02 0.00 0.00 175.26 175.79 3m4x s ILE 260 N -1.75 2.88 0.25 -1.63 1.01 -1.26 -4.97 121.20 115.73 3m4x s ILE 260 Ca 0.61 -2.84 -0.31 0.00 0.00 0.00 0.00 60.65 58.12 3m4x s ILE 260 Cb -0.21 -2.98 -0.12 0.00 0.01 0.00 0.00 42.46 39.16 3m4x s ILE 260 CO 0.26 -0.76 1.67 -2.84 0.00 0.00 0.00 174.94 173.28 3m4x s PRO 261 N 0.24 4.12 0.01 2.79 0.02 -1.26 -5.00 135.00 135.92 3m4x s PRO 261 Ca 0.14 2.61 -0.08 0.00 0.02 0.00 0.00 61.00 63.69 3m4x s PRO 261 Cb -0.23 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.25 3m4x s PRO 261 CO -0.03 -0.71 0.15 -0.51 -0.33 0.00 0.00 177.00 175.57 3m4x s LEU 262 N 0.45 1.50 -0.16 -5.54 1.43 -1.26 -4.98 118.68 110.12 3m4x s LEU 262 Ca 0.70 -0.22 -0.27 0.00 -1.03 0.00 0.00 54.13 53.31 3m4x s LEU 262 Cb -0.49 0.74 -0.24 0.00 0.03 0.00 0.00 46.19 46.23 3m4x s LEU 262 CO 0.39 -0.40 0.61 0.74 0.23 0.00 0.00 176.35 177.92 3m4x h THR 263 N 4.12 1.54 -2.64 5.49 2.02 -1.94 -3.45 112.91 118.05 3m4x h THR 263 Ca -0.31 -2.29 -0.54 0.00 0.77 0.00 0.00 66.41 64.04 3m4x h THR 263 Cb 1.19 3.05 0.01 0.00 -1.74 0.00 0.00 68.15 70.66 3m4x h THR 263 CO 0.42 0.52 1.04 -1.58 0.37 0.00 0.00 175.52 176.30 3m4x s GLN 264 N -2.26 4.19 0.54 6.66 2.00 -1.26 -4.99 119.66 124.55 3m4x s GLN 264 Ca -0.22 2.27 -0.19 0.00 -2.00 0.00 0.00 55.36 55.23 3m4x s GLN 264 Cb -0.01 -3.80 -0.06 0.00 0.80 0.00 0.00 33.01 29.94 3m4x s GLN 264 CO 0.66 -0.79 1.10 -1.12 -0.50 0.00 0.00 175.29 174.64 3m4x s SER 265 N 2.93 5.84 0.24 6.67 0.01 -1.26 -5.04 113.70 123.09 3m4x s SER 265 Ca 0.74 2.07 -0.10 0.00 1.31 0.00 0.00 55.95 59.97 3m4x s SER 265 Cb -0.37 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.28 3m4x s SER 265 CO 0.32 -1.13 0.41 0.68 0.41 0.00 0.00 173.24 173.92 3m4x s VAL 266 N -1.93 0.00 0.86 3.43 -7.23 -1.26 -5.00 120.40 109.27 3m4x s VAL 266 Ca 0.70 -1.53 -0.12 0.00 -1.81 0.00 0.00 61.98 59.22 3m4x s VAL 266 Cb -0.21 -2.27 0.11 0.00 0.56 0.00 0.00 36.38 34.57 3m4x s VAL 266 CO 0.27 0.00 1.13 -0.44 -0.31 0.00 0.00 175.10 175.75 3m4x s SER 267 N -3.05 3.99 0.19 4.85 0.01 -0.99 -4.94 113.70 113.75 3m4x s SER 267 Ca 0.26 1.05 0.06 0.00 1.31 0.00 0.00 55.95 58.63 3m4x s SER 267 Cb 0.01 -1.68 -0.05 0.00 0.21 0.00 0.00 66.02 64.52 3m4x s SER 267 CO 0.10 -2.26 -0.11 -0.94 0.41 0.00 0.00 173.24 170.43 3m4x s SER 268 N -4.06 2.24 0.79 2.44 1.04 -1.26 -0.93 113.70 113.95 3m4x s SER 268 Ca 0.62 -1.04 -0.14 0.00 0.48 0.00 0.00 55.95 55.88 3m4x s SER 268 Cb -0.14 -0.08 0.07 0.00 0.10 0.00 0.00 66.02 65.97 3m4x s SER 268 CO 0.53 -0.26 1.20 0.61 0.98 0.00 0.00 173.24 176.30 3m4x n GLY 269 N -0.32 0.02 3.38 7.32 0.00 -0.10 -4.36 105.19 111.12 3m4x n GLY 269 Ca -0.09 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 3m4x n GLY 269 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m4x s ARG 270 N -3.99 3.44 0.35 1.61 0.52 -1.26 -3.99 118.95 115.63 3m4x s ARG 270 Ca 0.74 -0.61 0.08 0.00 -0.52 0.00 0.00 55.73 55.43 3m4x s ARG 270 Cb -0.30 -3.23 0.79 0.00 0.52 0.00 0.00 34.95 32.73 3m4x s ARG 270 CO 0.50 -0.25 1.88 0.66 0.02 0.00 0.00 175.30 178.12 3m4x h SER 271 N 8.19 0.67 0.49 0.23 4.64 -1.94 0.87 113.55 126.71 3m4x h SER 271 Ca -0.38 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3m4x h SER 271 Cb 1.16 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3m4x h SER 271 CO 0.59 0.36 0.00 -1.84 -0.87 0.00 0.00 176.83 175.07 3m4x n GLU 272 N -4.54 0.14 0.00 4.77 0.00 -1.26 -1.28 120.64 118.46 3m4x n GLU 272 Ca 0.16 0.44 0.13 0.00 0.00 0.00 0.00 57.16 57.90 3m4x n GLU 272 Cb 0.42 -1.80 0.39 0.00 0.00 0.00 0.00 31.44 30.46 3m4x n GLU 272 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 3m4x n TRP 273 N -2.06 0.00 -3.41 -1.84 8.01 0.30 -4.95 117.44 113.48 3m4x n TRP 273 Ca 0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.20 3m4x n TRP 273 Cb 0.16 -0.02 0.00 0.00 -2.01 0.00 0.00 31.31 29.44 3m4x n TRP 273 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3m4x n GLY 274 N 1.25 6.02 0.37 6.99 0.00 -0.40 -4.08 105.19 115.34 3m4x n GLY 274 Ca 0.16 -1.98 0.01 0.00 0.00 0.00 0.00 46.02 44.21 3m4x n GLY 274 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3m4x n SER 275 N -0.58 0.31 -4.22 1.61 3.41 -1.26 -5.02 113.62 107.87 3m4x n SER 275 Ca 0.00 -1.99 -0.13 0.00 -0.26 0.00 0.00 58.87 56.49 3m4x n SER 275 Cb 0.00 -0.19 -0.10 0.00 -0.26 0.00 0.00 64.21 63.65 3m4x n SER 275 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3m4x s VAL 276 N -0.35 0.45 0.90 -3.33 -7.23 -1.26 -5.07 120.40 104.52 3m4x s VAL 276 Ca 0.04 -1.96 -0.12 0.00 -1.81 0.00 0.00 61.98 58.12 3m4x s VAL 276 Cb 0.03 -2.20 0.13 0.00 0.56 0.00 0.00 36.38 34.90 3m4x s VAL 276 CO 0.00 -0.37 1.10 0.00 -0.31 0.00 0.00 175.10 175.52 3m4x s ALA 277 N -3.81 1.57 0.00 1.32 0.00 -1.26 -4.30 121.76 115.28 3m4x s ALA 277 Ca 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.01 3m4x s ALA 277 Cb 0.07 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 20.05 3m4x s ALA 277 CO 0.05 -2.33 0.00 0.41 0.00 0.00 0.00 175.76 173.89 3m4x n GLY 278 N -1.45 0.96 0.31 0.00 0.00 -1.26 -4.91 105.19 98.84 3m4x n GLY 278 Ca 0.06 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.24 3m4x n GLY 278 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3m4x h LEU 279 N 0.00 0.00 -1.69 0.99 4.07 -1.92 -0.87 115.31 115.89 3m4x h LEU 279 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3m4x h LEU 279 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3m4x h LEU 279 CO 0.00 0.00 0.00 1.05 -1.08 0.00 0.00 178.44 178.41 3m4x h GLU 280 N 0.00 0.00 0.00 1.13 9.09 -1.91 -1.10 114.58 121.78 3m4x h GLU 280 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 3m4x h GLU 280 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 3m4x h GLU 280 CO -0.00 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.69 3m4x n LYS 281 N -2.66 0.12 -2.27 1.06 5.02 -0.33 -4.38 118.16 114.72 3m4x n LYS 281 Ca -0.01 0.11 -0.29 0.00 -2.02 0.00 0.00 58.31 56.11 3m4x n LYS 281 Cb 0.15 -1.64 0.01 0.00 -0.02 0.00 0.00 35.03 33.53 3m4x n LYS 281 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3m4x s THR 282 N -3.05 4.50 -0.11 -0.18 -4.23 -0.42 -4.42 115.64 107.73 3m4x s THR 282 Ca 0.12 0.41 0.02 0.00 -1.18 0.00 0.00 61.69 61.07 3m4x s THR 282 Cb 0.16 -3.76 -0.01 0.00 1.34 0.00 0.00 72.50 70.23 3m4x s THR 282 CO 0.55 -0.86 -0.18 -0.63 -0.54 0.00 0.00 174.62 172.96 3m4x s ILE 283 N -2.99 2.64 -0.01 2.99 1.01 -0.39 -0.92 121.20 123.53 3m4x s ILE 283 Ca 0.52 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 60.40 3m4x s ILE 283 Cb -0.11 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 3m4x s ILE 283 CO 0.49 0.54 -0.16 -0.13 0.00 0.00 0.00 174.94 175.67 3m4x s ARG 284 N 0.26 2.30 -0.23 2.79 0.52 -0.11 -1.73 118.95 122.76 3m4x s ARG 284 Ca -0.12 -0.83 0.01 0.00 -0.52 0.00 0.00 55.73 54.27 3m4x s ARG 284 Cb -0.16 -2.28 0.04 0.00 0.52 0.00 0.00 34.95 33.07 3m4x s ARG 284 CO 0.06 0.58 -0.14 0.42 0.02 0.00 0.00 175.30 176.25 3m4x s ILE 285 N -0.81 2.26 -0.14 1.52 1.01 -0.21 -2.36 121.20 122.48 3m4x s ILE 285 Ca 0.13 -1.24 -0.04 0.00 0.00 0.00 0.00 60.65 59.50 3m4x s ILE 285 Cb -0.11 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 3m4x s ILE 285 CO 0.03 0.25 0.01 0.26 0.00 0.00 0.00 174.94 175.48 3m4x s TRP 286 N 1.22 3.17 0.41 3.97 0.52 -1.26 -2.90 118.94 124.06 3m4x s TRP 286 Ca -0.02 0.03 0.17 0.00 0.02 0.00 0.00 56.10 56.30 3m4x s TRP 286 Cb -0.16 -1.93 1.01 0.00 -1.15 0.00 0.00 33.47 31.23 3m4x s TRP 286 CO -0.08 0.24 1.95 -1.35 0.02 0.00 0.00 176.95 177.73 3m4x h PRO 287 N 6.05 0.00 -0.00 4.98 0.11 -1.77 0.45 132.00 141.82 3m4x h PRO 287 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3m4x h PRO 287 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3m4x h PRO 287 CO 0.62 0.23 -0.11 -2.39 -0.21 0.00 0.00 178.00 176.14 3m4x n HIS 288 N -4.07 0.00 0.00 0.65 1.44 -1.26 -4.42 115.22 107.56 3m4x n HIS 288 Ca -0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 3m4x n HIS 288 Cb 0.30 -0.23 0.00 0.00 0.12 0.00 0.00 29.99 30.18 3m4x n HIS 288 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3m4x n LYS 289 N -1.10 0.00 -3.71 -1.40 5.02 -0.78 -4.98 118.16 111.21 3m4x n LYS 289 Ca 0.13 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.18 3m4x n LYS 289 Cb 0.28 -0.44 -0.01 0.00 -0.02 0.00 0.00 35.03 34.84 3m4x n LYS 289 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3m4x n ASP 290 N -2.75 2.69 -4.81 4.39 8.00 0.15 -5.00 116.55 119.23 3m4x n ASP 290 Ca 0.00 -2.70 -0.37 0.00 0.71 0.00 0.00 54.79 52.43 3m4x n ASP 290 Cb 0.36 0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.45 3m4x n ASP 290 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3m4x s GLN 291 N -3.85 4.30 0.02 -1.24 -1.52 -1.26 -4.60 119.66 111.51 3m4x s GLN 291 Ca 0.20 0.92 0.00 0.00 -1.95 0.00 0.00 55.36 54.52 3m4x s GLN 291 Cb -0.02 -2.95 0.00 0.00 -0.22 0.00 0.00 33.01 29.82 3m4x s GLN 291 CO 0.13 0.43 0.00 0.41 -0.25 0.00 0.00 175.29 176.01 3m4x n GLY 292 N 0.90 -3.83 0.12 3.09 0.00 -1.26 -4.56 105.19 99.64 3m4x n GLY 292 Ca -0.03 -2.01 -0.18 0.00 0.00 0.00 0.00 46.02 43.80 3m4x n GLY 292 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3m4x h GLU 293 N 0.00 0.32 0.00 1.61 4.39 -1.92 -3.38 114.58 115.60 3m4x h GLU 293 Ca 0.00 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.16 3m4x h GLU 293 Cb 0.00 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3m4x h GLU 293 CO 0.00 1.23 0.00 0.41 -1.16 0.00 0.00 179.01 179.49 3m4x n GLY 294 N 1.61 3.71 3.35 -3.84 0.00 -1.26 -4.39 105.19 104.37 3m4x n GLY 294 Ca -0.12 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 3m4x n GLY 294 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3m4x s HIS 295 N 0.00 -0.33 -0.06 1.61 3.76 -1.14 -4.51 115.29 114.61 3m4x s HIS 295 Ca 0.00 0.35 0.05 0.00 -0.15 0.00 0.00 55.06 55.31 3m4x s HIS 295 Cb 0.00 0.26 -0.00 0.00 1.11 0.00 0.00 32.58 33.95 3m4x s HIS 295 CO 0.00 -0.59 -0.21 0.12 -0.85 0.00 0.00 174.74 173.21 3m4x s PHE 296 N -2.35 2.07 0.01 1.40 5.36 -0.37 -1.05 117.98 123.05 3m4x s PHE 296 Ca -0.06 -0.65 0.01 0.00 -0.96 0.00 0.00 56.93 55.27 3m4x s PHE 296 Cb -0.01 -1.38 -0.01 0.00 -0.34 0.00 0.00 43.02 41.28 3m4x s PHE 296 CO -0.01 -0.22 -0.04 0.08 -1.46 0.00 0.00 175.22 173.57 3m4x s VAL 297 N 0.03 0.26 0.01 3.12 1.01 -0.71 -1.37 120.40 122.75 3m4x s VAL 297 Ca -0.06 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3m4x s VAL 297 Cb -0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 3m4x s VAL 297 CO 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 175.10 175.03 3m4x s ALA 298 N -0.49 0.04 -0.11 5.51 0.00 0.36 -1.26 121.76 125.81 3m4x s ALA 298 Ca -0.03 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 51.80 3m4x s ALA 298 Cb -0.04 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 3m4x s ALA 298 CO -0.00 -0.04 -0.19 0.21 0.00 0.00 0.00 175.76 175.74 3m4x s LYS 299 N -0.36 3.19 0.11 0.00 2.20 -1.26 -0.74 119.74 122.88 3m4x s LYS 299 Ca -0.04 -0.80 0.06 0.00 -0.36 0.00 0.00 55.97 54.83 3m4x s LYS 299 Cb -0.03 -2.44 -0.04 0.00 -1.51 0.00 0.00 37.83 33.82 3m4x s LYS 299 CO -0.00 0.19 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.53 3m4x s LEU 300 N 0.35 2.38 -0.14 5.43 1.02 0.97 -0.52 118.68 128.17 3m4x s LEU 300 Ca -0.16 -0.77 -0.03 0.00 0.02 0.00 0.00 54.13 53.19 3m4x s LEU 300 Cb -0.17 -0.52 -0.03 0.00 0.02 0.00 0.00 46.19 45.48 3m4x s LEU 300 CO 0.08 -0.14 -0.02 -0.89 0.02 0.00 0.00 176.35 175.40 3m4x s THR 301 N -2.00 4.11 -0.13 5.49 2.01 -0.40 -0.54 115.64 124.18 3m4x s THR 301 Ca 0.06 -0.29 -0.15 0.00 0.31 0.00 0.00 61.69 61.62 3m4x s THR 301 Cb -0.06 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.63 3m4x s THR 301 CO 0.03 0.52 0.37 0.12 -0.69 0.00 0.00 174.62 174.97 3m4x s PHE 302 N -0.03 3.50 -0.85 4.92 5.36 -0.28 -1.22 117.98 129.37 3m4x s PHE 302 Ca 0.02 0.73 0.08 0.00 -0.96 0.00 0.00 56.93 56.80 3m4x s PHE 302 Cb -0.13 -2.41 0.12 0.00 -0.34 0.00 0.00 43.02 40.26 3m4x s PHE 302 CO 0.02 0.24 0.91 0.72 -1.46 0.00 0.00 175.22 175.66 3m4x n HIS 303 N 3.48 0.12 -0.95 10.12 8.25 0.14 0.24 115.22 136.63 3m4x n HIS 303 Ca -0.10 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.17 3m4x n HIS 303 Cb 0.52 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.62 3m4x n HIS 303 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3m4x n GLY 304 N 0.35 -1.10 2.56 -1.41 0.00 -1.26 -4.81 105.19 99.52 3m4x n GLY 304 Ca 0.06 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 3m4x n GLY 304 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3m4x s GLN 305 N -2.84 0.28 0.52 1.61 -0.44 -1.26 -4.14 119.66 113.38 3m4x s GLN 305 Ca 0.00 -0.64 -0.20 0.00 -2.50 0.00 0.00 55.36 52.02 3m4x s GLN 305 Cb 0.00 -1.27 -0.07 0.00 -1.64 0.00 0.00 33.01 30.03 3m4x s GLN 305 CO 0.00 -1.03 1.08 -0.80 0.50 0.00 0.00 175.29 175.05 3m4x s ASN 306 N 1.99 6.00 1.01 6.67 0.02 -1.26 -5.07 114.94 124.29 3m4x s ASN 306 Ca 0.10 2.04 -0.07 0.00 -1.02 0.00 0.00 52.86 53.91 3m4x s ASN 306 Cb -0.17 -2.57 0.11 0.00 0.02 0.00 0.00 41.25 38.64 3m4x s ASN 306 CO -0.34 -1.02 0.24 0.00 0.02 0.00 0.00 177.10 176.00 3m4x n GLN 307 N -1.19 -2.19 0.00 -0.60 1.13 -1.26 -4.72 117.38 108.54 3m4x n GLN 307 Ca 0.10 -0.40 0.00 0.00 -1.94 0.00 0.00 57.00 54.76 3m4x n GLN 307 Cb 0.52 -0.57 0.00 0.00 0.11 0.00 0.00 30.24 30.29 3m4x n GLN 307 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3m4x n HIS 309 N -3.68 0.00 0.00 1.08 8.25 -1.26 -4.18 115.22 115.42 3m4x n HIS 309 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3m4x n HIS 309 Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 3m4x n HIS 309 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3m4x n LYS 319 N 0.00 0.00 0.00 -0.41 3.00 -1.26 -5.03 118.16 114.46 3m4x n LYS 319 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3m4x n LYS 319 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3m4x n LYS 319 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3m4x n VAL 320 N 0.00 0.00 0.00 3.15 0.31 -1.26 -4.90 118.33 115.63 3m4x n VAL 320 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3m4x n VAL 320 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3m4x n VAL 320 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3m4x n GLN 321 N -0.93 0.00 -3.97 5.55 -0.06 -1.26 -1.02 117.38 115.70 3m4x n GLN 321 Ca 0.00 0.00 -0.25 0.00 -2.00 0.00 0.00 57.00 54.75 3m4x n GLN 321 Cb 0.00 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.15 3m4x n GLN 321 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3m4x s THR 323 N 0.00 5.23 0.21 1.69 2.01 -1.26 -4.78 115.64 118.74 3m4x s THR 323 Ca 0.00 -0.81 -0.09 0.00 0.31 0.00 0.00 61.69 61.10 3m4x s THR 323 Cb 0.00 -3.73 0.15 0.00 0.01 0.00 0.00 72.50 68.93 3m4x s THR 323 CO 0.00 -0.16 1.78 0.11 -0.69 0.00 0.00 174.62 175.66 3m4x h LYS 324 N 1.89 0.56 -0.11 4.92 1.57 -2.05 0.29 116.57 123.64 3m4x h LYS 324 Ca -0.49 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.10 3m4x h LYS 324 Cb 1.21 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 3m4x h LYS 324 CO 0.66 0.37 -0.61 1.49 -0.57 0.00 0.00 179.45 180.79 3m4x h GLU 325 N 0.57 0.37 -0.50 3.15 4.81 -2.03 -2.14 114.58 118.81 3m4x h GLU 325 Ca 0.32 -0.25 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 3m4x h GLU 325 Cb 0.30 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3m4x h GLU 325 CO -0.24 0.86 -0.08 1.96 -0.73 0.00 0.00 179.01 180.78 3m4x h GLN 326 N 0.27 0.93 -0.34 1.92 4.20 -1.81 0.35 115.11 120.63 3m4x h GLN 326 Ca -0.01 -0.34 0.07 0.00 0.06 0.00 0.00 58.65 58.44 3m4x h GLN 326 Cb 1.14 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.79 3m4x h GLN 326 CO 0.10 0.99 -0.10 0.93 -0.67 0.00 0.00 178.83 180.08 3m4x h GLU 327 N 0.78 -0.03 0.66 1.46 4.39 -0.35 -0.37 114.58 121.12 3m4x h GLU 327 Ca 0.13 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.80 3m4x h GLU 327 Cb 0.62 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.29 3m4x h GLU 327 CO 0.04 -0.02 -0.31 -0.22 -1.16 0.00 0.00 179.01 177.34 3m4x h LYS 328 N -0.03 -0.85 -0.65 2.33 3.64 -0.72 -1.94 116.57 118.36 3m4x h LYS 328 Ca 0.17 0.06 0.13 0.00 -1.27 0.00 0.00 60.65 59.73 3m4x h LYS 328 Cb 0.28 0.19 -0.12 0.00 -0.41 0.00 0.00 32.23 32.17 3m4x h LYS 328 CO -0.36 -0.54 -0.20 -0.07 -2.27 0.00 0.00 179.45 176.00 3m4x h LEU 329 N -0.95 -0.74 -0.77 5.20 4.07 -0.16 -1.59 115.31 120.37 3m4x h LEU 329 Ca -0.09 0.21 -0.11 0.00 0.08 0.00 0.00 57.88 57.96 3m4x h LEU 329 Cb 0.70 0.45 -0.01 0.00 1.08 0.00 0.00 40.66 42.87 3m4x h LEU 329 CO 0.15 -0.24 -0.29 -0.25 -1.08 0.00 0.00 178.44 176.72 3m4x h TRP 330 N -0.04 0.69 -0.52 1.13 2.91 -0.98 -2.62 115.95 116.52 3m4x h TRP 330 Ca 0.30 -0.17 -0.10 0.00 1.13 0.00 0.00 58.89 60.06 3m4x h TRP 330 Cb 0.51 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 28.98 3m4x h TRP 330 CO -0.56 0.83 -0.07 1.15 -1.03 0.00 0.00 178.44 178.76 3m4x h THR 331 N 0.52 1.27 0.26 2.65 2.02 -0.61 0.11 112.91 119.12 3m4x h THR 331 Ca 0.06 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.04 3m4x h THR 331 Cb 0.77 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 3m4x h THR 331 CO 0.06 0.42 -0.31 -0.33 0.37 0.00 0.00 175.52 175.73 3m4x h GLU 332 N 0.82 -0.56 -0.45 6.66 5.08 -1.13 -1.02 114.58 123.97 3m4x h GLU 332 Ca 0.14 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.63 3m4x h GLU 332 Cb 0.62 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.91 3m4x h GLU 332 CO 0.04 -0.38 -0.07 0.35 -1.00 0.00 0.00 179.01 177.95 3m4x h PHE 333 N -0.58 -0.17 0.00 4.33 3.57 -1.31 0.01 116.94 122.79 3m4x h PHE 333 Ca -0.03 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3m4x h PHE 333 Cb 0.52 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 3m4x h PHE 333 CO -0.23 -0.16 -0.01 0.66 -2.23 0.00 0.00 178.31 176.34 3m4x h SER 334 N 0.04 0.00 0.06 0.41 4.64 -0.63 -0.48 113.55 117.58 3m4x h SER 334 Ca 0.22 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3m4x h SER 334 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3m4x h SER 334 CO -0.44 0.01 -0.03 0.78 -0.87 0.00 0.00 176.83 176.29 3m4x h ASN 335 N 0.00 -0.07 1.07 4.97 2.35 0.38 -1.47 115.58 122.81 3m4x h ASN 335 Ca -0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 3m4x h ASN 335 Cb 0.33 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3m4x h ASN 335 CO 0.00 0.59 0.00 -0.90 -1.65 0.00 0.00 177.43 175.48 3m4x n ASP 336 N -4.78 0.32 -0.28 5.81 5.68 -0.95 -2.43 116.55 119.92 3m4x n ASP 336 Ca -0.05 0.54 0.11 0.00 -0.50 0.00 0.00 54.79 54.88 3m4x n ASP 336 Cb 0.22 -0.62 -0.05 0.00 -1.14 0.00 0.00 41.12 39.53 3m4x n ASP 336 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 3m4x n PHE 337 N -1.81 0.00 -3.69 2.11 7.35 -0.20 -4.68 117.46 116.55 3m4x n PHE 337 Ca 0.06 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.52 3m4x n PHE 337 Cb 0.34 -0.00 0.04 0.00 0.35 0.00 0.00 39.48 40.21 3m4x n PHE 337 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 3m4x n HIS 338 N -0.67 -2.10 -5.02 -5.13 8.25 -0.62 -4.54 115.22 105.39 3m4x n HIS 338 Ca 0.07 0.88 -0.32 0.00 -0.26 0.00 0.00 57.72 58.09 3m4x n HIS 338 Cb 0.41 -4.48 -0.15 0.00 1.12 0.00 0.00 29.99 26.89 3m4x n HIS 338 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3m4x s TYR 339 N -3.53 2.62 -0.10 4.41 5.04 -0.82 -4.84 117.35 120.12 3m4x s TYR 339 Ca 0.16 -0.52 0.03 0.00 -2.44 0.00 0.00 57.07 54.30 3m4x s TYR 339 Cb -0.08 -1.67 0.01 0.00 0.35 0.00 0.00 41.96 40.57 3m4x s TYR 339 CO 0.80 -0.09 -0.19 -2.00 -1.34 0.00 0.00 175.55 172.73 3m4x s GLU 340 N -0.21 2.52 0.47 4.97 2.12 -1.26 -4.65 118.70 122.66 3m4x s GLU 340 Ca -0.01 -0.69 -0.23 0.00 0.36 0.00 0.00 54.97 54.41 3m4x s GLU 340 Cb -0.13 -1.99 -0.07 0.00 0.26 0.00 0.00 34.13 32.19 3m4x s GLU 340 CO 0.03 0.07 1.18 0.00 -0.54 0.00 0.00 175.26 176.00 3m4x s ALA 341 N 0.61 2.94 -0.17 6.30 0.00 -1.26 -4.99 121.76 125.20 3m4x s ALA 341 Ca -0.14 0.97 0.02 0.00 0.00 0.00 0.00 51.96 52.81 3m4x s ALA 341 Cb -0.17 -3.40 -0.11 0.00 0.00 0.00 0.00 23.12 19.44 3m4x s ALA 341 CO 0.04 -0.74 -0.15 2.41 0.00 0.00 0.00 175.76 177.33 3m4x n THR 342 N -0.59 0.98 -1.71 0.00 -1.04 -1.26 -5.04 114.28 105.62 3m4x n THR 342 Ca 0.08 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 3m4x n THR 342 Cb 0.48 -1.10 0.00 0.00 -1.82 0.00 0.00 70.33 67.89 3m4x n THR 342 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3m4x n GLY 343 N 2.67 0.32 3.78 3.41 0.00 -1.26 -4.91 105.19 109.21 3m4x n GLY 343 Ca -0.30 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.47 3m4x n GLY 343 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m4x s ARG 344 N -1.70 4.54 -0.32 1.61 0.52 0.03 -4.70 118.95 118.93 3m4x s ARG 344 Ca 0.00 1.21 -0.13 0.00 -0.52 0.00 0.00 55.73 56.28 3m4x s ARG 344 Cb 0.00 -2.99 -0.03 0.00 0.52 0.00 0.00 34.95 32.46 3m4x s ARG 344 CO 0.00 0.40 0.29 -0.51 0.02 0.00 0.00 175.30 175.50 3m4x s LEU 345 N -1.72 4.30 0.15 2.53 1.43 -1.26 -0.95 118.68 123.16 3m4x s LEU 345 Ca 0.44 -0.15 0.09 0.00 -1.03 0.00 0.00 54.13 53.48 3m4x s LEU 345 Cb -0.20 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 3m4x s LEU 345 CO 0.25 -0.21 -0.20 -0.76 0.23 0.00 0.00 176.35 175.65 3m4x s LEU 346 N 1.88 2.39 -0.08 1.79 1.43 -0.54 -4.72 118.68 120.84 3m4x s LEU 346 Ca 0.09 -0.81 0.05 0.00 -1.03 0.00 0.00 54.13 52.43 3m4x s LEU 346 Cb -0.17 -0.91 -0.00 0.00 0.03 0.00 0.00 46.19 45.15 3m4x s LEU 346 CO 0.11 0.02 -0.23 -0.69 0.23 0.00 0.00 176.35 175.80 3m4x s VAL 347 N -1.70 1.91 -0.05 -1.59 1.01 -0.19 -0.39 120.40 119.40 3m4x s VAL 347 Ca 0.14 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3m4x s VAL 347 Cb -0.07 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.69 3m4x s VAL 347 CO 0.06 0.53 -0.02 -0.36 0.00 0.00 0.00 175.10 175.31 3m4x s PHE 348 N 0.18 0.62 -1.58 5.22 0.40 -0.72 -4.54 117.98 117.55 3m4x s PHE 348 Ca -0.12 -0.15 -0.01 0.00 -0.60 0.00 0.00 56.93 56.05 3m4x s PHE 348 Cb -0.16 -0.66 0.00 0.00 0.51 0.00 0.00 43.02 42.72 3m4x s PHE 348 CO 0.06 -0.23 0.14 0.09 0.70 0.00 0.00 175.22 175.99 3m4x n ASN 349 N 4.48 -5.48 0.00 1.36 3.02 -1.26 -1.02 115.26 116.36 3m4x n ASN 349 Ca -0.19 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 3m4x n ASN 349 Cb 0.50 -4.54 0.00 0.00 -0.61 0.00 0.00 39.78 35.13 3m4x n ASN 349 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3m4x n ASP 350 N -2.09 -1.45 -4.66 6.41 9.92 -1.26 -4.95 116.55 118.47 3m4x n ASP 350 Ca -0.19 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.65 3m4x n ASP 350 Cb 0.65 -1.06 -0.04 0.00 -0.64 0.00 0.00 41.12 40.03 3m4x n ASP 350 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 3m4x s HIS 351 N -2.53 3.39 -0.13 1.24 3.76 -0.19 -1.06 115.29 119.78 3m4x s HIS 351 Ca 0.00 1.29 -0.21 0.00 -0.15 0.00 0.00 55.06 55.99 3m4x s HIS 351 Cb 0.00 -3.08 -0.03 0.00 1.11 0.00 0.00 32.58 30.58 3m4x s HIS 351 CO 0.00 -0.31 0.63 -1.17 -0.85 0.00 0.00 174.74 173.04 3m4x s LEU 352 N 2.45 4.25 0.07 0.89 2.96 0.20 -1.76 118.68 127.73 3m4x s LEU 352 Ca 0.39 0.98 0.08 0.00 -0.22 0.00 0.00 54.13 55.36 3m4x s LEU 352 Cb -0.16 -2.93 -0.03 0.00 0.50 0.00 0.00 46.19 43.57 3m4x s LEU 352 CO 0.11 -0.15 -0.22 0.26 -1.32 0.00 0.00 176.35 175.03 3m4x s TRP 353 N 1.17 1.87 -0.25 5.38 0.52 0.47 -0.74 118.94 127.36 3m4x s TRP 353 Ca 0.32 -0.39 -0.02 0.00 0.02 0.00 0.00 56.10 56.02 3m4x s TRP 353 Cb -0.16 -1.07 0.02 0.00 -1.15 0.00 0.00 33.47 31.11 3m4x s TRP 353 CO 0.13 0.16 -0.05 -2.00 0.02 0.00 0.00 176.95 175.21 3m4x s GLU 354 N -1.53 2.90 -0.11 4.98 2.12 0.94 -1.46 118.70 126.54 3m4x s GLU 354 Ca 0.08 -0.94 -0.01 0.00 0.36 0.00 0.00 54.97 54.46 3m4x s GLU 354 Cb -0.09 -3.00 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 3m4x s GLU 354 CO 0.03 -0.38 -0.05 0.08 -0.54 0.00 0.00 175.26 174.40 3m4x s VAL 355 N 1.35 3.84 0.62 3.70 1.01 -0.12 -0.49 120.40 130.30 3m4x s VAL 355 Ca 0.01 -0.41 -0.19 0.00 0.00 0.00 0.00 61.98 61.39 3m4x s VAL 355 Cb -0.16 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 3m4x s VAL 355 CO -0.04 0.55 1.31 -2.65 0.00 0.00 0.00 175.10 174.28 3m4x n PRO 356 N 2.80 1.27 0.25 2.72 -0.02 -1.26 -0.79 135.00 139.96 3m4x n PRO 356 Ca -0.18 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 61.92 3m4x n PRO 356 Cb 0.53 -2.55 0.63 0.00 -0.02 0.00 0.00 33.50 32.09 3m4x n PRO 356 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3m4x h GLU 357 N 0.77 0.00 0.00 -0.52 4.57 -1.94 -2.44 114.58 115.02 3m4x h GLU 357 Ca -0.51 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 3m4x h GLU 357 Cb 1.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.92 3m4x h GLU 357 CO 0.54 0.15 0.00 -0.07 -1.18 0.00 0.00 179.01 178.45 3m4x h LEU 358 N 0.00 0.00 -9.74 1.64 -0.00 -1.92 -3.45 115.31 101.84 3m4x h LEU 358 Ca -0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.35 3m4x h LEU 358 Cb 0.53 0.00 0.08 0.00 -0.00 0.00 0.00 40.66 41.26 3m4x h LEU 358 CO 0.02 0.00 0.93 0.00 -0.00 0.00 0.00 178.44 179.39 3m4x n ALA 359 N -2.03 2.66 -1.06 1.53 0.00 -0.92 -5.00 120.51 115.69 3m4x n ALA 359 Ca 0.02 0.38 -0.02 0.00 0.00 0.00 0.00 53.44 53.82 3m4x n ALA 359 Cb 0.35 -2.49 0.02 0.00 0.00 0.00 0.00 19.45 17.34 3m4x n ALA 359 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3m4x n PRO 360 N 2.83 -0.63 -2.19 0.00 -0.02 -1.26 -4.97 135.00 128.76 3m4x n PRO 360 Ca 0.11 -0.20 -0.41 0.00 -2.02 0.00 0.00 63.50 60.98 3m4x n PRO 360 Cb 0.36 -0.16 -0.03 0.00 -0.02 0.00 0.00 33.50 33.66 3m4x n PRO 360 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3m4x s SER 361 N -1.65 6.87 0.00 2.55 0.15 -1.26 -4.91 113.70 115.45 3m4x s SER 361 Ca 0.08 2.45 0.24 0.00 0.70 0.00 0.00 55.95 59.42 3m4x s SER 361 Cb -0.00 -2.62 0.31 0.00 -1.71 0.00 0.00 66.02 62.00 3m4x s SER 361 CO 0.06 -0.54 1.33 0.18 1.20 0.00 0.00 173.24 175.47 3m4x n LEU 362 N 2.39 3.19 -4.66 3.45 4.77 -1.26 -4.95 117.00 119.93 3m4x n LEU 362 Ca 0.05 -1.21 -0.48 0.00 -0.03 0.00 0.00 56.01 54.34 3m4x n LEU 362 Cb 0.42 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 3m4x n LEU 362 CO 0.58 0.61 1.23 0.47 -1.33 0.00 0.00 177.39 178.95 3m4x n ASP 363 N 1.40 2.91 0.00 -1.43 8.00 -1.26 -0.77 116.55 125.40 3m4x n ASP 363 Ca 0.17 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.73 3m4x n ASP 363 Cb 0.60 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 3m4x n ASP 363 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3m4x n GLY 364 N 3.57 0.68 3.80 0.44 0.00 -1.26 -5.06 105.19 107.37 3m4x n GLY 364 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 3m4x n GLY 364 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m4x s LEU 365 N 0.00 4.05 -0.70 0.99 1.02 0.05 -5.05 118.68 119.05 3m4x s LEU 365 Ca 0.00 0.30 -0.27 0.00 0.02 0.00 0.00 54.13 54.19 3m4x s LEU 365 Cb 0.00 -2.07 0.03 0.00 0.02 0.00 0.00 46.19 44.17 3m4x s LEU 365 CO 0.00 0.36 1.22 -0.54 0.02 0.00 0.00 176.35 177.42 3m4x s LYS 366 N -1.18 3.24 -0.27 1.70 1.02 -1.26 -4.99 119.74 117.99 3m4x s LYS 366 Ca 0.17 -0.22 -0.03 0.00 0.02 0.00 0.00 55.97 55.92 3m4x s LYS 366 Cb -0.12 -4.15 0.03 0.00 -0.52 0.00 0.00 37.83 33.07 3m4x s LYS 366 CO 0.06 -2.01 -0.02 0.08 -0.92 0.00 0.00 175.35 172.54 3m4x s VAL 367 N 5.38 3.10 -0.07 3.17 1.01 -1.26 -1.66 120.40 130.07 3m4x s VAL 367 Ca 0.35 -1.07 0.13 0.00 0.00 0.00 0.00 61.98 61.39 3m4x s VAL 367 Cb -0.09 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 3m4x s VAL 367 CO 0.16 0.09 1.29 0.58 0.00 0.00 0.00 175.10 177.22 3m4x h VAL 368 N 6.18 1.06 -2.77 2.92 2.07 -1.37 -3.45 116.25 120.89 3m4x h VAL 368 Ca -0.29 -2.56 -0.16 0.00 0.82 0.00 0.00 66.70 64.50 3m4x h VAL 368 Cb 1.10 2.50 -0.29 0.00 -1.52 0.00 0.00 31.29 33.07 3m4x h VAL 368 CO 0.57 0.61 -0.43 -0.60 0.02 0.00 0.00 177.57 177.73 3m4x s ARG 369 N -2.87 0.25 -0.75 1.57 3.52 -1.18 -4.96 118.95 114.54 3m4x s ARG 369 Ca 0.02 0.77 0.03 0.00 -0.13 0.00 0.00 55.73 56.43 3m4x s ARG 369 Cb 0.08 0.03 0.23 0.00 -1.56 0.00 0.00 34.95 33.74 3m4x s ARG 369 CO 0.78 -0.22 0.79 2.41 -0.81 0.00 0.00 175.30 178.24 3m4x n THR 370 N 4.87 2.67 -2.91 4.11 -1.04 -1.26 -0.64 114.28 120.08 3m4x n THR 370 Ca -0.15 -5.22 0.00 0.00 -2.04 0.00 0.00 64.05 56.65 3m4x n THR 370 Cb 0.52 -2.16 0.00 0.00 -1.82 0.00 0.00 70.33 66.86 3m4x n THR 370 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3m4x n GLY 371 N 1.38 0.41 3.59 3.41 0.00 0.07 -4.36 105.19 109.69 3m4x n GLY 371 Ca 0.26 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 3m4x n GLY 371 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3m4x s LEU 372 N 0.00 4.05 -0.40 0.99 2.96 0.35 -4.66 118.68 121.97 3m4x s LEU 372 Ca 0.00 0.08 -0.29 0.00 -0.22 0.00 0.00 54.13 53.70 3m4x s LEU 372 Cb 0.00 -2.23 0.01 0.00 0.50 0.00 0.00 46.19 44.47 3m4x s LEU 372 CO 0.00 -0.11 1.40 -2.28 -1.32 0.00 0.00 176.35 174.04 3m4x s HIS 373 N 1.87 2.43 -0.01 5.38 5.65 -1.26 -0.04 115.29 129.30 3m4x s HIS 373 Ca 0.10 0.69 -0.03 0.00 0.25 0.00 0.00 55.06 56.07 3m4x s HIS 373 Cb -0.16 -4.27 -0.28 0.00 -1.18 0.00 0.00 32.58 26.70 3m4x s HIS 373 CO 0.11 -1.96 0.79 -0.07 -0.65 0.00 0.00 174.74 172.96 3m4x h LEU 374 N 12.05 0.40 0.00 8.88 3.38 -1.29 -3.24 115.31 135.48 3m4x h LEU 374 Ca -0.27 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.11 3m4x h LEU 374 Cb 1.10 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3m4x h LEU 374 CO 1.08 1.49 0.00 0.61 0.09 0.00 0.00 178.44 181.71 3m4x n GLY 375 N 1.71 -1.79 3.21 0.83 0.00 -1.23 -1.17 105.19 106.74 3m4x n GLY 375 Ca -0.18 -1.18 -0.27 0.00 0.00 0.00 0.00 46.02 44.38 3m4x n GLY 375 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m4x s ASP 376 N -2.55 2.45 0.20 1.61 1.01 0.85 -0.63 116.67 119.60 3m4x s ASP 376 Ca 0.00 -0.39 -0.24 0.00 0.71 0.00 0.00 52.55 52.63 3m4x s ASP 376 Cb 0.00 -0.42 -0.08 0.00 1.01 0.00 0.00 42.92 43.43 3m4x s ASP 376 CO 0.00 0.23 0.78 -0.36 0.21 0.00 0.00 175.17 176.03 3m4x s PHE 377 N -0.33 3.82 0.00 4.23 0.40 -0.22 0.17 117.98 126.05 3m4x s PHE 377 Ca 0.04 1.58 0.00 0.00 -0.60 0.00 0.00 56.93 57.95 3m4x s PHE 377 Cb -0.09 -2.74 0.00 0.00 0.51 0.00 0.00 43.02 40.69 3m4x s PHE 377 CO 0.00 0.44 0.00 1.63 0.70 0.00 0.00 175.22 177.99 3m4x n LYS 378 N 1.26 0.77 -1.55 0.44 5.02 0.15 -4.90 118.16 119.35 3m4x n LYS 378 Ca -0.04 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.88 3m4x n LYS 378 Cb 0.49 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.46 3m4x n LYS 378 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3m4x n LYS 379 N 0.00 0.98 -2.26 1.97 5.02 -1.26 -2.84 118.16 119.77 3m4x n LYS 379 Ca 0.00 0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 56.15 3m4x n LYS 379 Cb 0.00 -3.29 -0.02 0.00 -0.02 0.00 0.00 35.03 31.70 3m4x n LYS 379 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3m4x n ASN 380 N 15.43 -4.40 -3.71 4.39 3.02 -1.26 -4.93 115.26 123.80 3m4x n ASN 380 Ca 0.39 0.17 -0.13 0.00 -0.03 0.00 0.00 54.58 54.99 3m4x n ASN 380 Cb 0.50 -3.76 -0.07 0.00 -0.61 0.00 0.00 39.78 35.84 3m4x n ASN 380 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m4x s ARG 381 N -4.74 0.82 -0.11 3.52 1.70 -1.13 -5.10 118.95 113.91 3m4x s ARG 381 Ca 0.00 -0.31 -0.01 0.00 -0.47 0.00 0.00 55.73 54.94 3m4x s ARG 381 Cb 0.00 0.37 -0.02 0.00 -0.57 0.00 0.00 34.95 34.72 3m4x s ARG 381 CO 0.00 -0.26 -0.09 0.12 -1.08 0.00 0.00 175.30 173.99 3m4x s PHE 382 N -2.07 2.90 -0.17 5.89 5.36 -1.26 0.34 117.98 128.98 3m4x s PHE 382 Ca -0.08 -0.32 0.01 0.00 -0.96 0.00 0.00 56.93 55.58 3m4x s PHE 382 Cb -0.02 -1.83 0.01 0.00 -0.34 0.00 0.00 43.02 40.84 3m4x s PHE 382 CO 0.00 0.02 -0.18 -1.21 -1.46 0.00 0.00 175.22 172.39 3m4x s GLU 383 N -0.04 3.09 0.70 10.12 2.02 0.13 -4.97 118.70 129.75 3m4x s GLU 383 Ca -0.01 -0.80 -0.14 0.00 0.02 0.00 0.00 54.97 54.04 3m4x s GLU 383 Cb -0.14 -2.58 0.02 0.00 0.10 0.00 0.00 34.13 31.53 3m4x s GLU 383 CO 0.03 -0.09 1.14 -2.14 0.02 0.00 0.00 175.26 174.22 3m4x s PRO 384 N 1.05 2.47 0.29 0.39 0.02 -1.26 -0.11 135.00 137.85 3m4x s PRO 384 Ca -0.01 1.50 0.06 0.00 0.02 0.00 0.00 61.00 62.57 3m4x s PRO 384 Cb -0.14 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.45 3m4x s PRO 384 CO -0.06 -1.52 0.36 -1.54 -0.33 0.00 0.00 177.00 173.91 3m4x s SER 385 N -2.47 5.91 0.23 2.53 1.04 -0.31 -4.77 113.70 115.86 3m4x s SER 385 Ca 0.69 -0.15 -0.08 0.00 0.48 0.00 0.00 55.95 56.89 3m4x s SER 385 Cb -0.23 -1.44 0.27 0.00 0.10 0.00 0.00 66.02 64.72 3m4x s SER 385 CO 0.44 -0.23 1.84 0.22 0.98 0.00 0.00 173.24 176.50 3m4x h TYR 386 N 1.15 0.88 -0.50 5.02 3.20 -1.88 -2.40 116.97 122.43 3m4x h TYR 386 Ca -0.48 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.46 3m4x h TYR 386 Cb 1.24 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 39.19 3m4x h TYR 386 CO 0.47 0.46 0.25 0.00 -1.64 0.00 0.00 178.16 177.70 3m4x h ALA 387 N 1.36 0.64 -0.20 1.82 0.00 -1.90 -1.32 119.26 119.67 3m4x h ALA 387 Ca 0.33 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3m4x h ALA 387 Cb 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3m4x h ALA 387 CO -0.16 -0.11 0.07 1.25 0.00 0.00 0.00 179.25 180.31 3m4x h LEU 388 N 0.48 0.29 -0.52 0.00 5.85 -1.52 -1.04 115.31 118.85 3m4x h LEU 388 Ca 0.22 -0.19 0.10 0.00 0.84 0.00 0.00 57.88 58.85 3m4x h LEU 388 Cb 0.14 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 40.99 3m4x h LEU 388 CO -0.16 0.40 -0.19 0.00 -0.34 0.00 0.00 178.44 178.15 3m4x h ALA 389 N 0.89 0.23 0.00 1.25 0.00 -1.09 -2.03 119.26 118.52 3m4x h ALA 389 Ca 0.06 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3m4x h ALA 389 Cb 0.22 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3m4x h ALA 389 CO -0.00 -0.51 0.00 1.28 0.00 0.00 0.00 179.25 180.02 3m4x n LEU 390 N -5.40 0.00 -1.14 0.00 4.32 -0.53 -2.50 117.00 111.74 3m4x n LEU 390 Ca 0.05 0.33 0.11 0.00 -0.02 0.00 0.00 56.01 56.47 3m4x n LEU 390 Cb 0.31 -0.33 0.25 0.00 -1.62 0.00 0.00 43.42 42.03 3m4x n LEU 390 CO 0.08 -0.04 0.71 0.00 -1.22 0.00 0.00 177.39 176.92 3m4x n ALA 391 N -1.33 2.36 -2.23 -1.18 0.00 -0.43 -4.15 120.51 113.55 3m4x n ALA 391 Ca 0.11 -1.15 -0.42 0.00 0.00 0.00 0.00 53.44 51.98 3m4x n ALA 391 Cb 0.23 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 3m4x n ALA 391 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3m4x s THR 392 N -1.15 3.63 -0.05 0.00 2.01 -1.04 -4.90 115.64 114.13 3m4x s THR 392 Ca 0.40 1.22 0.08 0.00 0.31 0.00 0.00 61.69 63.70 3m4x s THR 392 Cb 0.22 -3.78 -0.11 0.00 0.01 0.00 0.00 72.50 68.83 3m4x s THR 392 CO 0.29 0.12 0.10 2.29 -0.69 0.00 0.00 174.62 176.73 3m4x n LYS 393 N 3.51 1.68 -3.93 4.92 2.85 -1.26 -4.51 118.16 121.41 3m4x n LYS 393 Ca 0.08 -0.04 -0.32 0.00 -1.05 0.00 0.00 58.31 56.99 3m4x n LYS 393 Cb 0.44 -1.21 -0.14 0.00 -0.65 0.00 0.00 35.03 33.48 3m4x n LYS 393 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 3m4x s LYS 394 N -2.37 1.77 0.33 -1.58 0.00 -1.26 -4.57 119.74 112.06 3m4x s LYS 394 Ca -0.04 -2.08 0.24 0.00 0.00 0.00 0.00 55.97 54.09 3m4x s LYS 394 Cb 0.04 -3.35 0.37 0.00 0.00 0.00 0.00 37.83 34.89 3m4x s LYS 394 CO 0.34 -1.02 1.52 0.82 0.00 0.00 0.00 175.35 177.01 3m4x h ILE 395 N 6.21 0.00 0.00 3.79 2.04 -1.95 -3.18 117.51 124.42 3m4x h ILE 395 Ca -0.06 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 64.94 3m4x h ILE 395 Cb 0.99 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 3m4x h ILE 395 CO 0.61 0.00 0.00 1.05 0.00 0.00 0.00 178.15 179.81 3m4x h GLU 396 N 0.00 0.00 0.00 2.37 9.09 -2.03 -3.28 114.58 120.73 3m4x h GLU 396 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3m4x h GLU 396 Cb 0.93 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.03 3m4x h GLU 396 CO 0.00 0.00 -1.19 0.09 0.05 0.00 0.00 179.01 177.96 3m4x n ASN 397 N -2.93 0.59 -4.38 3.06 3.02 -1.20 -4.97 115.26 108.45 3m4x n ASN 397 Ca 0.00 -0.36 -0.20 0.00 -0.03 0.00 0.00 54.58 53.99 3m4x n ASN 397 Cb 0.26 1.06 -0.10 0.00 -0.61 0.00 0.00 39.78 40.39 3m4x n ASN 397 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3m4x s ILE 398 N -3.21 1.97 -0.04 2.41 -4.36 -1.24 -4.67 121.20 112.06 3m4x s ILE 398 Ca 0.03 -2.26 -0.30 0.00 -0.26 0.00 0.00 60.65 57.86 3m4x s ILE 398 Cb 0.15 -2.11 -0.06 0.00 1.25 0.00 0.00 42.46 41.68 3m4x s ILE 398 CO 0.84 -0.52 1.79 -2.84 0.24 0.00 0.00 174.94 174.44 3m4x s PRO 399 N -3.56 4.08 0.08 0.37 0.02 -1.26 -4.99 135.00 129.75 3m4x s PRO 399 Ca 0.24 2.28 0.10 0.00 0.02 0.00 0.00 61.00 63.64 3m4x s PRO 399 Cb -0.02 -4.07 -0.03 0.00 0.02 0.00 0.00 34.50 30.39 3m4x s PRO 399 CO 0.09 -0.98 -0.25 0.00 -0.33 0.00 0.00 177.00 175.53 3m4x s LEU 401 N -1.63 3.24 0.32 0.00 1.98 -0.22 -4.88 118.68 117.49 3m4x s LEU 401 Ca 0.11 -2.01 -0.29 0.00 -2.89 0.00 0.00 54.13 49.05 3m4x s LEU 401 Cb -0.10 -1.18 -0.12 0.00 0.66 0.00 0.00 46.19 45.45 3m4x s LEU 401 CO 0.04 -0.37 1.49 -2.65 -1.89 0.00 0.00 176.35 172.96 3m4x n PRO 402 N 4.39 2.52 -4.42 0.98 -0.02 -1.26 -2.50 135.00 134.68 3m4x n PRO 402 Ca 0.02 0.89 -0.21 0.00 -2.02 0.00 0.00 63.50 62.18 3m4x n PRO 402 Cb 0.40 -2.61 -0.10 0.00 -0.02 0.00 0.00 33.50 31.17 3m4x n PRO 402 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3m4x s ILE 403 N -0.53 1.33 0.52 4.25 -4.36 -0.38 -4.87 121.20 117.17 3m4x s ILE 403 Ca 0.60 -2.05 0.06 0.00 -0.26 0.00 0.00 60.65 59.00 3m4x s ILE 403 Cb -0.52 -2.59 0.05 0.00 1.25 0.00 0.00 42.46 40.65 3m4x s ILE 403 CO 0.56 -0.17 0.72 0.42 0.24 0.00 0.00 174.94 176.71 3m4x s THR 404 N -3.21 2.59 0.20 8.37 -4.23 -1.26 -4.39 115.64 113.70 3m4x s THR 404 Ca 0.32 -0.90 -0.04 0.00 -1.18 0.00 0.00 61.69 59.90 3m4x s THR 404 Cb 0.06 -2.69 -0.03 0.00 1.34 0.00 0.00 72.50 71.19 3m4x s THR 404 CO 0.13 0.00 1.54 0.06 -0.54 0.00 0.00 174.62 175.81 3m4x h GLN 405 N 0.27 0.65 -0.57 3.99 -0.00 -1.99 -0.32 115.11 117.14 3m4x h GLN 405 Ca -0.37 -0.35 0.06 0.00 -0.00 0.00 0.00 58.65 57.99 3m4x h GLN 405 Cb 1.28 0.02 -0.05 0.00 -0.00 0.00 0.00 27.48 28.73 3m4x h GLN 405 CO 0.44 0.96 0.28 0.87 -0.00 0.00 0.00 178.83 181.39 3m4x h LYS 406 N 0.52 0.52 -0.65 0.06 1.57 -1.99 0.40 116.57 117.00 3m4x h LYS 406 Ca 0.04 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3m4x h LYS 406 Cb 0.98 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.14 3m4x h LYS 406 CO 0.09 0.35 0.21 0.93 -0.57 0.00 0.00 179.45 180.46 3m4x h GLU 407 N 0.54 0.99 -0.33 3.15 5.08 -1.91 -1.33 114.58 120.77 3m4x h GLU 407 Ca 0.26 -0.19 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 3m4x h GLU 407 Cb 0.19 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 3m4x h GLU 407 CO -0.19 0.84 0.06 2.35 -1.00 0.00 0.00 179.01 181.07 3m4x h TRP 408 N 0.96 0.10 -0.26 4.33 7.01 0.51 0.21 115.95 128.80 3m4x h TRP 408 Ca 0.22 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.30 3m4x h TRP 408 Cb 0.26 0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 27.25 3m4x h TRP 408 CO 0.02 0.02 -0.23 1.96 -2.79 0.00 0.00 178.44 177.41 3m4x h GLN 409 N 0.18 -0.22 -0.77 2.65 7.50 0.28 0.05 115.11 124.77 3m4x h GLN 409 Ca 0.16 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.32 3m4x h GLN 409 Cb 0.17 0.05 -0.04 0.00 0.05 0.00 0.00 27.48 27.72 3m4x h GLN 409 CO -0.21 -0.14 0.49 0.77 -1.50 0.00 0.00 178.83 178.23 3m4x h SER 410 N -0.23 0.91 0.17 1.46 0.02 -0.90 -1.47 113.55 113.51 3m4x h SER 410 Ca 0.14 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3m4x h SER 410 Cb 0.45 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3m4x h SER 410 CO -0.39 0.68 -0.08 0.22 -1.14 0.00 0.00 176.83 176.12 3m4x h TYR 411 N 1.05 -0.21 0.00 3.45 3.20 -0.03 0.17 116.97 124.61 3m4x h TYR 411 Ca 0.28 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 3m4x h TYR 411 Cb -0.08 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 3m4x h TYR 411 CO -0.01 -0.07 -0.00 1.79 -1.64 0.00 0.00 178.16 178.23 3m4x h THR 412 N -0.30 0.01 0.00 1.81 1.35 -0.89 0.31 112.91 115.19 3m4x h THR 412 Ca -0.02 -0.46 -0.01 0.00 -0.55 0.00 0.00 66.41 65.37 3m4x h THR 412 Cb 0.23 1.46 -0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3m4x h THR 412 CO 0.04 0.00 -0.05 0.00 -0.25 0.00 0.00 175.52 175.26 3m4x h ALA 413 N 2.00 0.99 0.00 6.62 0.00 -0.95 -1.41 119.26 126.51 3m4x h ALA 413 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3m4x h ALA 413 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3m4x h ALA 413 CO 0.00 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.72 3m4x n GLY 414 N 0.51 0.96 3.87 0.00 0.00 0.10 -4.49 105.19 106.14 3m4x n GLY 414 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3m4x n GLY 414 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m4x s GLU 415 N -0.85 3.79 0.65 1.61 2.02 0.52 -4.82 118.70 121.61 3m4x s GLU 415 Ca 0.00 0.22 -0.15 0.00 0.02 0.00 0.00 54.97 55.07 3m4x s GLU 415 Cb 0.00 -2.75 -0.01 0.00 0.10 0.00 0.00 34.13 31.47 3m4x s GLU 415 CO 0.00 0.39 1.09 0.95 0.02 0.00 0.00 175.26 177.71 3m4x s THR 416 N -1.71 3.45 0.32 3.63 -4.23 -1.26 -4.03 115.64 111.81 3m4x s THR 416 Ca 0.44 0.65 0.03 0.00 -1.18 0.00 0.00 61.69 61.63 3m4x s THR 416 Cb -0.12 -3.18 -0.04 0.00 1.34 0.00 0.00 72.50 70.49 3m4x s THR 416 CO 0.21 -0.44 0.14 0.72 -0.54 0.00 0.00 174.62 174.71 3m4x s PHE 417 N -2.44 1.66 -0.14 3.99 -0.12 -1.18 -4.93 117.98 114.82 3m4x s PHE 417 Ca 0.65 -1.29 -0.04 0.00 -0.05 0.00 0.00 56.93 56.20 3m4x s PHE 417 Cb -0.19 -0.95 -0.03 0.00 -0.63 0.00 0.00 43.02 41.22 3m4x s PHE 417 CO 0.42 -0.41 -0.00 -1.14 -0.05 0.00 0.00 175.22 174.04 3m4x s GLN 418 N -3.84 3.49 -0.20 1.99 0.74 -1.26 -0.61 119.66 119.96 3m4x s GLN 418 Ca 0.34 -0.44 -0.07 0.00 0.05 0.00 0.00 55.36 55.24 3m4x s GLN 418 Cb 0.05 -2.93 0.09 0.00 1.10 0.00 0.00 33.01 31.32 3m4x s GLN 418 CO 0.16 0.42 0.43 0.50 -0.55 0.00 0.00 175.29 176.25 3m4x s ARG 419 N -0.09 0.33 0.15 1.67 6.06 0.47 -4.89 118.95 122.65 3m4x s ARG 419 Ca 0.04 1.04 -0.34 0.00 -2.50 0.00 0.00 55.73 53.97 3m4x s ARG 419 Cb -0.13 0.34 -0.14 0.00 0.06 0.00 0.00 34.95 35.08 3m4x s ARG 419 CO 0.02 -0.26 1.55 -0.25 -2.50 0.00 0.00 175.30 173.86 3m4x n ASP 420 N 5.39 2.93 0.00 -2.12 9.92 -1.26 -4.00 116.55 127.41 3m4x n ASP 420 Ca -0.08 1.09 0.00 0.00 -0.53 0.00 0.00 54.79 55.26 3m4x n ASP 420 Cb 0.49 -1.40 0.00 0.00 -0.64 0.00 0.00 41.12 39.57 3m4x n ASP 420 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3m4x n GLY 421 N 3.29 1.86 2.72 0.44 0.00 -1.26 -4.91 105.19 107.33 3m4x n GLY 421 Ca 0.17 -1.99 -0.05 0.00 0.00 0.00 0.00 46.02 44.15 3m4x n GLY 421 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3m4x n ASN 422 N 0.00 0.79 -0.06 1.61 5.15 -1.26 -0.20 115.26 121.28 3m4x n ASN 422 Ca 0.00 -2.41 0.13 0.00 -0.60 0.00 0.00 54.58 51.70 3m4x n ASN 422 Cb 0.00 -0.21 0.49 0.00 -0.53 0.00 0.00 39.78 39.54 3m4x n ASN 422 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 3m4x n GLN 423 N -0.44 0.32 0.00 1.20 -0.06 -1.13 -4.84 117.38 112.43 3m4x n GLN 423 Ca 0.04 -0.12 0.00 0.00 -2.00 0.00 0.00 57.00 54.92 3m4x n GLN 423 Cb 0.82 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.51 3m4x n GLN 423 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3m4x n GLY 424 N 1.40 0.30 3.67 1.69 0.00 -0.29 -4.83 105.19 107.14 3m4x n GLY 424 Ca 0.10 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 3m4x n GLY 424 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3m4x s TRP 425 N 0.00 1.77 0.01 1.61 0.52 -1.26 -0.43 118.94 121.15 3m4x s TRP 425 Ca 0.00 -0.14 0.02 0.00 0.02 0.00 0.00 56.10 56.00 3m4x s TRP 425 Cb 0.00 -4.14 -0.01 0.00 -1.15 0.00 0.00 33.47 28.17 3m4x s TRP 425 CO 0.00 -4.89 -0.06 0.14 0.02 0.00 0.00 176.95 172.16 3m4x s VAL 426 N 3.70 0.44 -0.31 4.03 -7.23 0.00 -4.88 120.40 116.16 3m4x s VAL 426 Ca 0.82 -0.42 -0.28 0.00 -1.81 0.00 0.00 61.98 60.30 3m4x s VAL 426 Cb -0.42 -0.41 0.01 0.00 0.56 0.00 0.00 36.38 36.13 3m4x s VAL 426 CO 0.37 0.01 1.01 -0.22 -0.31 0.00 0.00 175.10 175.95 3m4x s LEU 427 N -0.45 3.98 0.03 1.32 2.96 -0.72 -0.74 118.68 125.06 3m4x s LEU 427 Ca -0.01 0.97 -0.30 0.00 -0.22 0.00 0.00 54.13 54.57 3m4x s LEU 427 Cb -0.04 -3.44 -0.05 0.00 0.50 0.00 0.00 46.19 43.17 3m4x s LEU 427 CO -0.00 -0.81 1.21 -0.76 -1.32 0.00 0.00 176.35 174.67 3m4x s LEU 428 N 3.48 4.35 -0.10 -0.68 1.43 0.47 -1.06 118.68 126.57 3m4x s LEU 428 Ca 0.42 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.51 3m4x s LEU 428 Cb -0.13 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.54 3m4x s LEU 428 CO 0.14 -0.51 -0.10 -0.69 0.23 0.00 0.00 176.35 175.42 3m4x s VAL 429 N 1.41 1.12 -0.44 -1.59 1.01 -1.04 -1.09 120.40 119.78 3m4x s VAL 429 Ca 0.58 -0.39 -0.16 0.00 0.00 0.00 0.00 61.98 62.02 3m4x s VAL 429 Cb -0.29 -1.09 0.04 0.00 0.00 0.00 0.00 36.38 35.04 3m4x s VAL 429 CO 0.27 0.37 0.37 -0.22 0.00 0.00 0.00 175.10 175.90 3m4x s LEU 430 N 1.36 5.25 0.00 3.92 2.96 0.12 -1.25 118.68 131.04 3m4x s LEU 430 Ca -0.01 -1.02 0.00 0.00 -0.22 0.00 0.00 54.13 52.88 3m4x s LEU 430 Cb -0.14 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.33 3m4x s LEU 430 CO -0.05 -0.57 0.00 -0.67 -1.32 0.00 0.00 176.35 173.75 3m4x n ASP 431 N 5.30 0.00 0.00 3.68 -0.08 -1.26 0.04 116.55 124.23 3m4x n ASP 431 Ca -0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 3m4x n ASP 431 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 3m4x n ASP 431 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3m4x n LYS 432 N 0.00 1.26 -3.42 -0.67 5.02 -1.26 -5.03 118.16 114.06 3m4x n LYS 432 Ca 0.00 -0.96 -0.40 0.00 -2.02 0.00 0.00 58.31 54.93 3m4x n LYS 432 Cb 0.00 -0.88 -0.09 0.00 -0.02 0.00 0.00 35.03 34.04 3m4x n LYS 432 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3m4x s ILE 433 N -0.50 5.19 -0.14 -0.18 1.01 0.11 -4.78 121.20 121.89 3m4x s ILE 433 Ca 0.00 0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.56 3m4x s ILE 433 Cb 0.00 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 3m4x s ILE 433 CO 0.00 0.02 1.41 -2.84 0.00 0.00 0.00 174.94 173.53 3m4x s PRO 434 N 2.00 4.17 0.00 2.79 0.02 -1.26 0.16 135.00 142.87 3m4x s PRO 434 Ca 0.12 1.80 0.13 0.00 0.02 0.00 0.00 61.00 63.07 3m4x s PRO 434 Cb -0.16 -3.86 -0.02 0.00 0.02 0.00 0.00 34.50 30.48 3m4x s PRO 434 CO 0.11 -0.81 0.72 1.33 -0.33 0.00 0.00 177.00 178.02 3m4x n VAL 435 N 5.52 0.00 0.00 3.83 0.24 -0.25 -4.74 118.33 122.93 3m4x n VAL 435 Ca 0.15 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 3m4x n VAL 435 Cb 0.44 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 3m4x n VAL 435 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3m4x n GLY 436 N 1.07 1.50 3.82 7.63 0.00 -1.25 -4.94 105.19 113.02 3m4x n GLY 436 Ca 0.05 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 3m4x n GLY 436 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m4x s PHE 437 N -1.59 3.76 0.40 1.61 0.40 -1.26 -0.39 117.98 120.90 3m4x s PHE 437 Ca 0.00 1.12 0.08 0.00 -0.60 0.00 0.00 56.93 57.52 3m4x s PHE 437 Cb 0.00 -2.38 -0.07 0.00 0.51 0.00 0.00 43.02 41.08 3m4x s PHE 437 CO 0.00 0.62 0.04 0.20 0.70 0.00 0.00 175.22 176.78 3m4x s GLY 438 N -1.07 2.39 -0.28 4.36 0.00 0.08 -3.34 107.32 109.45 3m4x s GLY 438 Ca 0.26 -2.20 0.00 0.00 0.00 0.00 0.00 44.72 42.78 3m4x s GLY 438 CO 0.16 -2.03 0.05 1.25 0.00 0.00 0.00 173.10 172.53 3m4x s LYS 439 N -3.75 1.04 -0.48 2.90 2.20 -0.86 -0.82 119.74 119.98 3m4x s LYS 439 Ca 0.36 -1.08 -0.29 0.00 -0.36 0.00 0.00 55.97 54.60 3m4x s LYS 439 Cb 0.07 -2.34 0.02 0.00 -1.51 0.00 0.00 37.83 34.07 3m4x s LYS 439 CO 0.19 -0.84 1.33 -1.14 -0.36 0.00 0.00 175.35 174.54 3m4x s GLN 440 N 1.49 3.53 -0.31 4.03 0.74 0.42 -1.38 119.66 128.17 3m4x s GLN 440 Ca 0.05 0.67 0.02 0.00 0.05 0.00 0.00 55.36 56.14 3m4x s GLN 440 Cb -0.18 -4.02 0.10 0.00 1.10 0.00 0.00 33.01 30.00 3m4x s GLN 440 CO -0.16 -1.63 0.06 0.08 -0.55 0.00 0.00 175.29 173.09 3m4x s VAL 441 N 5.34 1.58 -1.10 1.34 1.01 -0.73 -1.14 120.40 126.70 3m4x s VAL 441 Ca 0.55 -1.80 -0.04 0.00 0.00 0.00 0.00 61.98 60.69 3m4x s VAL 441 Cb -0.11 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.14 3m4x s VAL 441 CO 0.30 -0.58 0.94 0.29 0.00 0.00 0.00 175.10 176.05 3m4x n LYS 442 N 4.56 -6.28 -0.07 2.72 4.01 -1.22 -3.38 118.16 118.50 3m4x n LYS 442 Ca -0.00 0.73 0.00 0.00 -0.51 0.00 0.00 58.31 58.52 3m4x n LYS 442 Cb 0.42 -5.43 0.00 0.00 -0.51 0.00 0.00 35.03 29.52 3m4x n LYS 442 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3m4x n GLY 443 N -1.43 0.87 3.14 0.72 0.00 0.72 -4.91 105.19 104.30 3m4x n GLY 443 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 3m4x n GLY 443 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3m4x s THR 444 N -2.38 1.55 -0.36 2.61 -4.23 -1.22 -0.40 115.64 111.21 3m4x s THR 444 Ca 0.00 -0.76 -0.27 0.00 -1.18 0.00 0.00 61.69 59.47 3m4x s THR 444 Cb 0.00 -1.34 0.02 0.00 1.34 0.00 0.00 72.50 72.51 3m4x s THR 444 CO 0.00 0.44 1.01 -0.69 -0.54 0.00 0.00 174.62 174.84 3m4x s VAL 445 N 0.18 4.52 0.45 2.29 1.01 0.22 -1.77 120.40 127.29 3m4x s VAL 445 Ca -0.08 1.42 -0.18 0.00 0.00 0.00 0.00 61.98 63.14 3m4x s VAL 445 Cb -0.14 -4.39 -0.09 0.00 0.00 0.00 0.00 36.38 31.76 3m4x s VAL 445 CO 0.04 -0.56 0.92 -0.54 0.00 0.00 0.00 175.10 174.96 3m4x s LYS 446 N 3.65 4.07 -0.26 2.72 1.02 -0.48 -3.12 119.74 127.33 3m4x s LYS 446 Ca 0.42 0.96 -0.14 0.00 0.02 0.00 0.00 55.97 57.23 3m4x s LYS 446 Cb -0.12 -2.21 -0.04 0.00 -0.52 0.00 0.00 37.83 34.95 3m4x s LYS 446 CO 0.19 -0.10 0.33 1.21 -0.92 0.00 0.00 175.35 176.06 3m4x s ASN 447 N -2.59 6.23 -0.17 2.83 3.84 -1.26 -2.02 114.94 121.80 3m4x s ASN 447 Ca 0.59 0.26 0.14 0.00 0.21 0.00 0.00 52.86 54.05 3m4x s ASN 447 Cb -0.10 -2.19 0.39 0.00 -0.55 0.00 0.00 41.25 38.81 3m4x s ASN 447 CO 0.22 -0.13 1.20 0.49 -2.79 0.00 0.00 177.10 176.09 3m4x n PHE 448 N 5.08 0.00 -2.29 0.43 3.01 -1.21 -4.99 117.46 117.49 3m4x n PHE 448 Ca -0.10 -1.27 -0.42 0.00 1.01 0.00 0.00 57.45 56.67 3m4x n PHE 448 Cb 0.51 -0.22 -0.03 0.00 -0.01 0.00 0.00 39.48 39.74 3m4x n PHE 448 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 3m4x s PHE 449 N -2.72 2.85 0.10 1.38 5.36 -1.26 -4.64 117.98 119.05 3m4x s PHE 449 Ca 0.36 0.88 -0.36 0.00 -0.96 0.00 0.00 56.93 56.85 3m4x s PHE 449 Cb 0.35 -3.61 -0.17 0.00 -0.34 0.00 0.00 43.02 39.26 3m4x s PHE 449 CO -0.07 -2.20 1.30 -2.30 -1.46 0.00 0.00 175.22 170.50 3m4x n PRO 450 N 5.66 1.11 -0.15 10.12 -0.02 -1.26 -4.82 135.00 145.64 3m4x n PRO 450 Ca 0.13 0.40 0.10 0.00 -2.02 0.00 0.00 63.50 62.11 3m4x n PRO 450 Cb 0.44 -2.02 0.43 0.00 -0.02 0.00 0.00 33.50 32.33 3m4x n PRO 450 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3m4x h LYS 451 N 4.33 0.57 0.00 -0.52 1.57 -1.98 -0.80 116.57 119.73 3m4x h LYS 451 Ca -0.47 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3m4x h LYS 451 Cb 1.34 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3m4x h LYS 451 CO 0.76 0.37 0.00 0.41 -0.57 0.00 0.00 179.45 180.43 3m4x n GLY 452 N -1.48 -0.75 0.06 3.86 0.00 -1.26 -3.05 105.19 102.57 3m4x n GLY 452 Ca 0.11 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.07 3m4x n GLY 452 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m4x n LEU 453 N -1.18 0.59 -4.74 0.99 4.77 -0.31 -5.06 117.00 112.05 3m4x n LEU 453 Ca 0.10 -0.62 -0.35 0.00 -0.03 0.00 0.00 56.01 55.12 3m4x n LEU 453 Cb 0.11 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.27 3m4x n LEU 453 CO 0.12 0.13 0.82 -0.13 -1.33 0.00 0.00 177.39 177.00 3m4x s ARG 454 N -1.35 2.49 0.00 3.23 0.52 -1.17 -4.99 118.95 117.69 3m4x s ARG 454 Ca 0.04 1.78 0.15 0.00 -0.52 0.00 0.00 55.73 57.18 3m4x s ARG 454 Cb 0.05 -1.87 0.12 0.00 0.52 0.00 0.00 34.95 33.76 3m4x s ARG 454 CO 0.21 -1.57 0.97 1.19 0.02 0.00 0.00 175.30 176.13