#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nli s ASP 1 N 0.00 6.60 0.08 3.17 1.11 -1.26 -4.47 116.67 121.89 1nli s ASP 1 Ca 0.00 1.44 0.02 0.00 0.18 0.00 0.00 52.55 54.19 1nli s ASP 1 Cb 0.00 -2.46 -0.04 0.00 1.07 0.00 0.00 42.92 41.50 1nli s ASP 1 CO 0.00 -0.53 -0.06 -0.69 1.18 0.00 0.00 175.17 175.06 1nli s VAL 2 N -2.55 0.59 0.06 -1.27 1.01 0.04 -4.98 120.40 113.29 1nli s VAL 2 Ca 0.57 -1.65 -0.08 0.00 0.00 0.00 0.00 61.98 60.83 1nli s VAL 2 Cb -0.10 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1nli s VAL 2 CO 0.31 -0.73 0.15 -0.94 0.00 0.00 0.00 175.10 173.89 1nli s SER 3 N -2.56 0.14 -0.11 3.32 1.04 -1.26 0.19 113.70 114.45 1nli s SER 3 Ca 0.04 -0.56 -0.06 0.00 0.48 0.00 0.00 55.95 55.85 1nli s SER 3 Cb 0.01 0.29 0.05 0.00 0.10 0.00 0.00 66.02 66.46 1nli s SER 3 CO -0.04 -0.61 0.27 0.12 0.98 0.00 0.00 173.24 173.96 1nli s PHE 4 N -3.16 -0.36 -0.18 5.02 5.36 -0.58 -4.79 117.98 119.29 1nli s PHE 4 Ca -0.00 0.84 -0.03 0.00 -0.96 0.00 0.00 56.93 56.78 1nli s PHE 4 Cb 0.02 0.08 -0.01 0.00 -0.34 0.00 0.00 43.02 42.77 1nli s PHE 4 CO -0.07 -0.24 -0.07 1.03 -1.46 0.00 0.00 175.22 174.42 1nli s ARG 5 N 1.14 3.44 0.32 10.12 0.52 -1.26 -2.15 118.95 131.08 1nli s ARG 5 Ca -0.08 -0.62 0.15 0.00 -0.52 0.00 0.00 55.73 54.66 1nli s ARG 5 Cb -0.09 -2.88 0.46 0.00 0.52 0.00 0.00 34.95 32.96 1nli s ARG 5 CO -0.08 0.01 1.63 -0.07 0.02 0.00 0.00 175.30 176.82 1nli h LEU 6 N 7.42 0.00 -9.17 2.53 -0.00 -1.03 -3.36 115.31 111.70 1nli h LEU 6 Ca -0.35 0.00 -0.56 0.00 -0.00 0.00 0.00 57.88 56.97 1nli h LEU 6 Cb 1.18 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.81 1nli h LEU 6 CO 0.60 0.49 0.93 -0.55 -0.00 0.00 0.00 178.44 179.91 1nli s SER 7 N -6.55 6.90 0.00 -0.43 0.15 -1.26 -1.89 113.70 110.62 1nli s SER 7 Ca 0.00 1.78 0.00 0.00 0.70 0.00 0.00 55.95 58.43 1nli s SER 7 Cb 0.11 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1nli s SER 7 CO 0.72 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1nli n GLY 8 N 3.70 0.77 3.76 9.45 0.00 -1.26 -5.02 105.19 116.58 1nli n GLY 8 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1nli n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nli s ALA 9 N -2.89 3.01 0.27 4.61 0.00 -0.79 -5.02 121.76 120.95 1nli s ALA 9 Ca 0.00 1.27 0.03 0.00 0.00 0.00 0.00 51.96 53.26 1nli s ALA 9 Cb 0.00 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 1nli s ALA 9 CO 0.00 -1.12 0.06 0.95 0.00 0.00 0.00 175.76 175.65 1nli s THR 10 N -1.32 0.86 0.44 0.00 -4.23 -1.26 -5.01 115.64 105.13 1nli s THR 10 Ca 0.66 -2.01 0.12 0.00 -1.18 0.00 0.00 61.69 59.27 1nli s THR 10 Cb -0.39 -2.60 0.29 0.00 1.34 0.00 0.00 72.50 71.15 1nli s THR 10 CO 0.47 -0.10 2.04 0.77 -0.54 0.00 0.00 174.62 177.27 1nli h SER 11 N 2.34 0.34 -0.31 3.99 4.64 -1.94 -2.38 113.55 120.24 1nli h SER 11 Ca -0.39 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.79 1nli h SER 11 Cb 1.24 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1nli h SER 11 CO 0.64 0.23 -0.35 0.28 -0.87 0.00 0.00 176.83 176.77 1nli h SER 12 N 0.40 0.84 0.63 4.97 0.02 -1.96 -1.77 113.55 116.68 1nli h SER 12 Ca 0.17 -0.48 -0.07 0.00 -0.84 0.00 0.00 61.79 60.57 1nli h SER 12 Cb 0.20 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1nli h SER 12 CO -0.04 1.15 -0.35 0.77 -1.14 0.00 0.00 176.83 177.22 1nli h SER 13 N 0.55 0.00 -0.30 3.07 4.64 -1.86 -0.54 113.55 119.11 1nli h SER 13 Ca 0.04 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.25 1nli h SER 13 Cb 0.93 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1nli h SER 13 CO 0.08 0.35 -0.25 0.22 -0.87 0.00 0.00 176.83 176.36 1nli h TYR 14 N 0.00 0.82 -0.56 4.77 3.20 -1.38 -1.60 116.97 122.22 1nli h TYR 14 Ca -0.00 -0.24 0.06 0.00 3.14 0.00 0.00 58.73 61.69 1nli h TYR 14 Cb 0.77 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.80 1nli h TYR 14 CO 0.00 0.97 0.26 0.78 -1.64 0.00 0.00 178.16 178.53 1nli h GLY 15 N 0.44 0.80 0.93 1.82 0.00 -0.72 0.05 103.07 106.38 1nli h GLY 15 Ca 0.05 -0.17 0.02 0.00 0.00 0.00 0.00 47.33 47.23 1nli h GLY 15 CO 0.07 0.07 0.37 -2.08 0.00 0.00 0.00 176.54 174.97 1nli h VAL 16 N 0.49 1.10 -0.12 4.60 2.07 -0.94 -1.17 116.25 122.29 1nli h VAL 16 Ca 0.26 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.54 1nli h VAL 16 Cb 0.22 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1nli h VAL 16 CO -0.21 0.13 0.05 0.15 0.02 0.00 0.00 177.57 177.71 1nli h PHE 17 N 0.74 0.09 -0.51 1.57 -0.00 -0.63 0.10 116.94 118.30 1nli h PHE 17 Ca 0.22 0.01 -0.07 0.00 -0.00 0.00 0.00 57.97 58.13 1nli h PHE 17 Cb -0.03 -0.02 -0.02 0.00 -0.00 0.00 0.00 35.95 35.88 1nli h PHE 17 CO -0.05 0.05 0.04 0.82 -0.00 0.00 0.00 178.31 179.17 1nli h ILE 18 N 0.11 1.24 -0.58 1.41 1.08 -0.93 -0.06 117.51 119.78 1nli h ILE 18 Ca 0.05 -0.96 -0.03 0.00 -0.39 0.00 0.00 64.86 63.53 1nli h ILE 18 Cb 0.02 0.81 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 1nli h ILE 18 CO -0.05 0.35 0.26 0.28 -0.69 0.00 0.00 178.15 178.30 1nli h SER 19 N 0.78 0.78 -0.67 1.72 0.02 -0.87 -1.37 113.55 113.94 1nli h SER 19 Ca 0.16 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1nli h SER 19 Cb 0.41 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1nli h SER 19 CO 0.01 0.71 0.30 0.78 -1.14 0.00 0.00 176.83 177.50 1nli h ASN 20 N 0.80 0.89 -0.13 3.07 -0.26 -0.53 -1.84 115.58 117.58 1nli h ASN 20 Ca 0.20 -0.15 0.01 0.00 -0.56 0.00 0.00 56.30 55.80 1nli h ASN 20 Cb 0.15 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.17 1nli h ASN 20 CO -0.02 0.79 0.05 0.25 -1.06 0.00 0.00 177.43 177.44 1nli h LEU 21 N 0.93 0.08 -0.74 1.61 5.85 -0.72 -1.48 115.31 120.84 1nli h LEU 21 Ca 0.23 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.06 1nli h LEU 21 Cb 0.15 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.10 1nli h LEU 21 CO -0.03 0.06 0.36 0.03 -0.34 0.00 0.00 178.44 178.53 1nli h ARG 22 N 0.13 0.58 0.00 1.25 3.08 -1.20 -1.97 114.38 116.25 1nli h ARG 22 Ca 0.05 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1nli h ARG 22 Cb 0.02 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 1nli h ARG 22 CO -0.04 0.39 -0.10 0.87 -1.07 0.00 0.00 179.97 180.02 1nli h LYS 23 N 0.60 0.00 0.00 0.04 1.57 -0.97 -2.06 116.57 115.75 1nli h LYS 23 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1nli h LYS 23 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1nli h LYS 23 CO -0.29 0.10 0.00 0.00 -0.57 0.00 0.00 179.45 178.69 1nli n ALA 24 N -2.25 1.95 -2.62 3.86 0.00 -0.59 -4.76 120.51 116.10 1nli n ALA 24 Ca -0.02 -0.04 -0.39 0.00 0.00 0.00 0.00 53.44 52.99 1nli n ALA 24 Cb 0.22 -1.36 -0.09 0.00 0.00 0.00 0.00 19.45 18.22 1nli n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nli s LEU 25 N -3.41 4.06 0.49 0.00 1.43 -0.78 -4.62 118.68 115.85 1nli s LEU 25 Ca 0.09 0.31 -0.22 0.00 -1.03 0.00 0.00 54.13 53.28 1nli s LEU 25 Cb 0.13 -2.41 -0.07 0.00 0.03 0.00 0.00 46.19 43.87 1nli s LEU 25 CO 0.41 -0.14 1.18 -2.84 0.23 0.00 0.00 176.35 175.19 1nli s PRO 26 N 1.85 3.58 -0.16 1.29 0.02 -1.26 -5.04 135.00 135.28 1nli s PRO 26 Ca 0.15 1.80 -0.14 0.00 0.02 0.00 0.00 61.00 62.83 1nli s PRO 26 Cb -0.15 -2.30 0.04 0.00 0.02 0.00 0.00 34.50 32.11 1nli s PRO 26 CO 0.09 -0.71 0.42 0.54 -0.33 0.00 0.00 177.00 177.02 1nli s ASN 27 N -1.40 -0.45 -0.03 2.53 4.22 -1.26 -3.94 114.94 114.61 1nli s ASN 27 Ca 0.67 0.86 0.07 0.00 -2.14 0.00 0.00 52.86 52.32 1nli s ASN 27 Cb -0.29 0.86 -0.24 0.00 1.28 0.00 0.00 41.25 42.86 1nli s ASN 27 CO 0.35 -0.15 0.71 -0.33 -2.04 0.00 0.00 177.10 175.63 1nli h GLU 28 N 5.64 0.08 -5.30 3.55 5.08 -1.94 -3.49 114.58 118.19 1nli h GLU 28 Ca -0.28 -0.13 -0.43 0.00 -1.00 0.00 0.00 59.36 57.51 1nli h GLU 28 Cb 1.18 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 30.34 1nli h GLU 28 CO 0.24 0.75 -0.67 -0.98 -1.00 0.00 0.00 179.01 177.35 1nli s ARG 29 N -2.61 1.43 0.03 2.33 1.70 -1.26 -5.09 118.95 115.48 1nli s ARG 29 Ca -0.07 -1.71 0.07 0.00 -0.47 0.00 0.00 55.73 53.54 1nli s ARG 29 Cb 0.08 -0.89 -0.03 0.00 -0.57 0.00 0.00 34.95 33.53 1nli s ARG 29 CO 0.82 -0.01 -0.17 0.15 -1.08 0.00 0.00 175.30 175.01 1nli s LYS 30 N -3.78 2.14 -0.13 3.89 1.02 -1.26 -1.59 119.74 120.03 1nli s LYS 30 Ca 0.28 -0.94 0.03 0.00 0.02 0.00 0.00 55.97 55.36 1nli s LYS 30 Cb 0.04 -2.22 0.01 0.00 -0.52 0.00 0.00 37.83 35.14 1nli s LYS 30 CO 0.10 0.55 -0.22 -0.51 -0.92 0.00 0.00 175.35 174.35 1nli s LEU 31 N -1.37 2.07 -1.66 3.17 1.43 -0.32 -4.67 118.68 117.33 1nli s LEU 31 Ca 0.14 -0.57 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 1nli s LEU 31 Cb -0.11 -1.40 0.13 0.00 0.03 0.00 0.00 46.19 44.85 1nli s LEU 31 CO 0.05 0.10 0.74 -1.22 0.23 0.00 0.00 176.35 176.24 1nli n TYR 32 N 3.93 -1.75 -1.39 0.29 4.02 -1.26 -0.78 117.16 120.22 1nli n TYR 32 Ca -0.20 0.79 -0.13 0.00 -0.01 0.00 0.00 57.90 58.36 1nli n TYR 32 Cb 0.52 -3.09 -0.05 0.00 -0.02 0.00 0.00 39.34 36.69 1nli n TYR 32 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1nli n ASP 33 N -2.71 -4.54 -4.27 7.72 4.64 -1.26 -4.99 116.55 111.14 1nli n ASP 33 Ca 0.02 0.31 -0.33 0.00 -1.38 0.00 0.00 54.79 53.41 1nli n ASP 33 Cb 0.52 -3.18 -0.15 0.00 -1.04 0.00 0.00 41.12 37.27 1nli n ASP 33 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1nli s ILE 34 N -2.48 2.71 0.19 5.18 1.01 0.04 -5.06 121.20 122.79 1nli s ILE 34 Ca 0.00 -0.75 -0.33 0.00 0.00 0.00 0.00 60.65 59.57 1nli s ILE 34 Cb 0.00 -2.15 -0.14 0.00 0.01 0.00 0.00 42.46 40.18 1nli s ILE 34 CO 0.00 0.51 1.46 -2.65 0.00 0.00 0.00 174.94 174.26 1nli n PRO 35 N 4.07 1.94 -3.35 2.79 -0.02 -1.26 -1.17 135.00 138.01 1nli n PRO 35 Ca -0.19 0.70 -0.39 0.00 -2.02 0.00 0.00 63.50 61.59 1nli n PRO 35 Cb 0.52 -2.39 -0.09 0.00 -0.02 0.00 0.00 33.50 31.52 1nli n PRO 35 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1nli s LEU 36 N 0.50 4.05 0.69 2.45 2.96 -0.62 -0.41 118.68 128.30 1nli s LEU 36 Ca 0.74 0.34 -0.13 0.00 -0.22 0.00 0.00 54.13 54.87 1nli s LEU 36 Cb -0.70 -2.49 0.01 0.00 0.50 0.00 0.00 46.19 43.51 1nli s LEU 36 CO 0.45 -0.21 1.08 -0.76 -1.32 0.00 0.00 176.35 175.58 1nli s LEU 37 N 2.13 3.23 0.51 -0.68 1.43 0.04 -4.26 118.68 121.08 1nli s LEU 37 Ca 0.17 1.80 -0.21 0.00 -1.03 0.00 0.00 54.13 54.86 1nli s LEU 37 Cb -0.16 -4.52 -0.07 0.00 0.03 0.00 0.00 46.19 41.47 1nli s LEU 37 CO 0.10 -1.62 1.13 -0.13 0.23 0.00 0.00 176.35 176.06 1nli s ARG 38 N -4.61 3.55 0.10 1.70 1.81 -1.25 -4.12 118.95 116.13 1nli s ARG 38 Ca 0.62 1.63 -0.09 0.00 -1.72 0.00 0.00 55.73 56.16 1nli s ARG 38 Cb -0.17 -2.15 -0.18 0.00 -0.45 0.00 0.00 34.95 32.01 1nli s ARG 38 CO 0.49 -0.69 1.23 0.66 -0.68 0.00 0.00 175.30 176.31 1nli h SER 39 N 1.53 0.72 -3.91 0.23 4.64 -1.92 -3.43 113.55 111.40 1nli h SER 39 Ca -0.50 -0.59 -0.09 0.00 -0.47 0.00 0.00 61.79 60.14 1nli h SER 39 Cb 1.25 -0.22 -0.23 0.00 -0.31 0.00 0.00 62.40 62.89 1nli h SER 39 CO 0.58 1.39 -0.10 -0.55 -0.87 0.00 0.00 176.83 177.29 1nli s SER 40 N -7.20 -0.56 0.02 4.97 0.15 -1.26 -4.71 113.70 105.10 1nli s SER 40 Ca -0.08 1.07 0.02 0.00 0.70 0.00 0.00 55.95 57.66 1nli s SER 40 Cb 0.08 1.08 -0.01 0.00 -1.71 0.00 0.00 66.02 65.46 1nli s SER 40 CO 0.90 -0.18 -0.07 -0.76 1.20 0.00 0.00 173.24 174.32 1nli s LEU 41 N 0.31 2.11 0.77 3.45 1.43 -1.26 -5.12 118.68 120.37 1nli s LEU 41 Ca -0.00 -0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 52.65 1nli s LEU 41 Cb -0.04 -0.27 -0.01 0.00 0.03 0.00 0.00 46.19 45.91 1nli s LEU 41 CO 0.00 -0.04 0.65 -2.65 0.23 0.00 0.00 176.35 174.55 1nli n PRO 42 N 2.31 0.22 -0.32 1.29 -0.02 -1.26 -4.69 135.00 132.52 1nli n PRO 42 Ca -0.17 0.12 0.10 0.00 -2.02 0.00 0.00 63.50 61.53 1nli n PRO 42 Cb 0.57 -1.96 0.31 0.00 -0.02 0.00 0.00 33.50 32.39 1nli n PRO 42 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1nli h GLY 43 N -0.61 1.49 2.00 -1.23 0.00 -2.00 -1.05 103.07 101.67 1nli h GLY 43 Ca -0.46 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.51 1nli h GLY 43 CO 0.42 0.10 0.00 -1.14 0.00 0.00 0.00 176.54 175.93 1nli n SER 44 N -4.61 0.73 -0.09 0.19 3.41 -1.26 -2.44 113.62 109.54 1nli n SER 44 Ca 0.19 0.64 0.08 0.00 -0.26 0.00 0.00 58.87 59.52 1nli n SER 44 Cb 0.43 -0.81 -0.07 0.00 -0.26 0.00 0.00 64.21 63.50 1nli n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nli n GLN 45 N -2.26 1.71 0.06 4.33 6.02 -0.47 -4.78 117.38 121.99 1nli n GLN 45 Ca 0.03 -0.19 0.12 0.00 -0.01 0.00 0.00 57.00 56.95 1nli n GLN 45 Cb 0.29 -1.26 0.15 0.00 1.02 0.00 0.00 30.24 30.44 1nli n GLN 45 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1nli h ARG 46 N 0.43 0.00 -6.50 -1.09 2.43 -1.03 -3.46 114.38 105.15 1nli h ARG 46 Ca 0.00 0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.55 1nli h ARG 46 Cb 0.42 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 29.76 1nli h ARG 46 CO 0.00 0.00 -0.84 0.71 -1.51 0.00 0.00 179.97 178.33 1nli s TYR 47 N -3.18 2.05 0.06 2.20 2.02 -1.26 -0.85 117.35 118.38 1nli s TYR 47 Ca 0.06 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.37 1nli s TYR 47 Cb 0.13 -1.10 -0.03 0.00 -0.40 0.00 0.00 41.96 40.56 1nli s TYR 47 CO 0.73 0.29 -0.06 0.00 -1.57 0.00 0.00 175.55 174.94 1nli s ALA 48 N -1.20 0.65 -0.11 3.71 0.00 -0.43 -4.49 121.76 119.89 1nli s ALA 48 Ca 0.11 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 1nli s ALA 48 Cb -0.10 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 1nli s ALA 48 CO 0.05 -0.16 0.00 -0.51 0.00 0.00 0.00 175.76 175.14 1nli s LEU 49 N -2.27 3.54 -0.25 0.00 1.43 -1.26 -1.25 118.68 118.62 1nli s LEU 49 Ca -0.01 0.08 -0.06 0.00 -1.03 0.00 0.00 54.13 53.12 1nli s LEU 49 Cb -0.02 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 1nli s LEU 49 CO -0.03 0.31 0.03 -0.63 0.23 0.00 0.00 176.35 176.26 1nli s ILE 50 N -0.48 3.84 -0.25 -0.59 1.01 -0.16 -0.78 121.20 123.79 1nli s ILE 50 Ca 0.08 -0.43 -0.15 0.00 0.00 0.00 0.00 60.65 60.15 1nli s ILE 50 Cb -0.12 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 1nli s ILE 50 CO 0.02 0.31 0.38 -1.00 0.00 0.00 0.00 174.94 174.65 1nli s HIS 51 N 1.53 3.29 -0.08 3.97 3.76 0.13 -0.40 115.29 127.49 1nli s HIS 51 Ca 0.05 0.48 0.04 0.00 -0.15 0.00 0.00 55.06 55.49 1nli s HIS 51 Cb -0.15 -2.55 -0.01 0.00 1.11 0.00 0.00 32.58 30.98 1nli s HIS 51 CO 0.00 -0.14 -0.23 -0.51 -0.85 0.00 0.00 174.74 173.01 1nli s LEU 52 N 1.78 2.17 -0.12 0.89 1.43 0.49 -1.52 118.68 123.79 1nli s LEU 52 Ca 0.16 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1nli s LEU 52 Cb -0.15 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.66 1nli s LEU 52 CO 0.09 0.20 -0.19 -0.89 0.23 0.00 0.00 176.35 175.79 1nli s THR 53 N 0.10 1.79 0.95 5.49 2.01 -0.91 -0.91 115.64 124.15 1nli s THR 53 Ca -0.11 -0.82 -0.14 0.00 0.31 0.00 0.00 61.69 60.93 1nli s THR 53 Cb -0.16 -1.60 0.20 0.00 0.01 0.00 0.00 72.50 70.96 1nli s THR 53 CO 0.06 0.50 1.30 0.54 -0.69 0.00 0.00 174.62 176.33 1nli s ASN 54 N 0.85 3.12 0.49 3.53 2.20 -0.31 -0.49 114.94 124.33 1nli s ASN 54 Ca -0.08 0.13 0.23 0.00 -0.94 0.00 0.00 52.86 52.19 1nli s ASN 54 Cb -0.15 -0.16 1.28 0.00 -2.00 0.00 0.00 41.25 40.22 1nli s ASN 54 CO -0.01 -2.72 1.95 1.88 -2.94 0.00 0.00 177.10 175.26 1nli h TYR 55 N -1.57 0.19 -0.40 1.54 0.99 -1.89 -0.62 116.97 115.21 1nli h TYR 55 Ca -0.43 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.30 1nli h TYR 55 Cb 1.23 -0.06 0.00 0.00 1.00 0.00 0.00 36.73 38.90 1nli h TYR 55 CO -1.19 0.07 0.00 0.00 -0.00 0.00 0.00 178.16 177.04 1nli n ALA 56 N -2.61 2.86 -2.18 3.88 0.00 -1.26 -4.77 120.51 116.43 1nli n ALA 56 Ca 0.13 -0.96 -0.15 0.00 0.00 0.00 0.00 53.44 52.46 1nli n ALA 56 Cb 0.65 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 1nli n ALA 56 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1nli n ASP 57 N 0.61 -4.67 -4.79 0.00 2.03 -0.24 -5.01 116.55 104.48 1nli n ASP 57 Ca 0.16 0.04 -0.36 0.00 0.52 0.00 0.00 54.79 55.14 1nli n ASP 57 Cb 0.59 -3.77 -0.07 0.00 -0.72 0.00 0.00 41.12 37.15 1nli n ASP 57 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1nli s GLU 58 N -4.58 3.93 -0.00 -0.67 2.02 -1.26 -4.87 118.70 113.27 1nli s GLU 58 Ca 0.00 -0.07 0.07 0.00 0.02 0.00 0.00 54.97 54.99 1nli s GLU 58 Cb 0.00 -3.33 -0.03 0.00 0.10 0.00 0.00 34.13 30.88 1nli s GLU 58 CO 0.00 0.48 -0.22 0.99 0.02 0.00 0.00 175.26 176.54 1nli s THR 59 N -0.21 2.47 0.21 3.63 2.01 -1.26 -1.16 115.64 121.33 1nli s THR 59 Ca 0.14 -1.09 0.09 0.00 0.31 0.00 0.00 61.69 61.14 1nli s THR 59 Cb -0.12 -1.95 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 1nli s THR 59 CO 0.03 0.49 -0.17 0.27 -0.69 0.00 0.00 174.62 174.55 1nli s ILE 60 N -0.74 1.94 -0.10 1.82 -4.36 -0.09 -4.59 121.20 115.07 1nli s ILE 60 Ca 0.12 -2.18 0.03 0.00 -0.26 0.00 0.00 60.65 58.35 1nli s ILE 60 Cb -0.10 -2.05 -0.01 0.00 1.25 0.00 0.00 42.46 41.55 1nli s ILE 60 CO 0.01 -0.47 -0.19 -0.44 0.24 0.00 0.00 174.94 174.09 1nli s SER 61 N -3.19 3.51 -0.18 4.36 0.01 -0.89 -0.38 113.70 116.94 1nli s SER 61 Ca 0.22 -0.44 -0.00 0.00 1.31 0.00 0.00 55.95 57.04 1nli s SER 61 Cb -0.03 -1.37 0.00 0.00 0.21 0.00 0.00 66.02 64.83 1nli s SER 61 CO 0.09 0.19 -0.14 -0.69 0.41 0.00 0.00 173.24 173.09 1nli s VAL 62 N 0.20 2.60 -0.03 3.43 1.01 0.47 -0.75 120.40 127.33 1nli s VAL 62 Ca -0.12 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 1nli s VAL 62 Cb -0.16 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 1nli s VAL 62 CO 0.06 0.50 0.67 0.00 0.00 0.00 0.00 175.10 176.33 1nli s ALA 63 N 1.16 3.39 0.10 5.51 0.00 -0.35 -0.99 121.76 130.58 1nli s ALA 63 Ca 0.01 0.11 0.09 0.00 0.00 0.00 0.00 51.96 52.17 1nli s ALA 63 Cb -0.14 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 1nli s ALA 63 CO -0.06 0.01 -0.22 0.96 0.00 0.00 0.00 175.76 176.46 1nli s ILE 64 N 0.33 1.80 -0.31 0.00 -4.36 -0.38 -0.72 121.20 117.56 1nli s ILE 64 Ca 0.35 -1.53 -0.24 0.00 -0.26 0.00 0.00 60.65 58.97 1nli s ILE 64 Cb -0.18 -1.62 0.00 0.00 1.25 0.00 0.00 42.46 41.91 1nli s ILE 64 CO 0.18 0.01 0.83 -0.62 0.24 0.00 0.00 174.94 175.58 1nli s ASP 65 N -1.82 6.71 0.00 4.36 3.68 -0.61 -1.32 116.67 127.66 1nli s ASP 65 Ca 0.08 0.72 0.24 0.00 2.13 0.00 0.00 52.55 55.72 1nli s ASP 65 Cb -0.10 -2.43 1.15 0.00 -1.45 0.00 0.00 42.92 40.10 1nli s ASP 65 CO 0.04 -0.65 1.79 1.33 0.13 0.00 0.00 175.17 177.81 1nli n VAL 66 N 5.58 0.28 0.17 1.11 0.24 -0.03 -0.26 118.33 125.41 1nli n VAL 66 Ca 0.05 0.07 0.05 0.00 -2.04 0.00 0.00 64.34 62.47 1nli n VAL 66 Cb 0.48 -0.67 0.17 0.00 -1.47 0.00 0.00 33.84 32.36 1nli n VAL 66 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1nli h THR 67 N 0.00 0.76 0.00 3.34 1.35 -1.85 -3.40 112.91 113.11 1nli h THR 67 Ca 0.00 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.04 1nli h THR 67 Cb 0.29 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1nli h THR 67 CO 0.00 0.39 0.00 -0.46 -0.25 0.00 0.00 175.52 175.20 1nli n ASN 68 N -3.30 0.03 -0.54 5.36 2.04 -1.08 -4.52 115.26 113.24 1nli n ASN 68 Ca 0.01 -1.01 -0.07 0.00 -0.44 0.00 0.00 54.58 53.07 1nli n ASN 68 Cb 0.63 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.85 1nli n ASN 68 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1nli n VAL 69 N -0.01 0.00 -2.48 3.53 0.31 0.64 -4.98 118.33 115.34 1nli n VAL 69 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 1nli n VAL 69 Cb 0.38 -1.21 -0.03 0.00 -0.91 0.00 0.00 33.84 32.07 1nli n VAL 69 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1nli s TYR 70 N -1.75 3.49 0.03 3.52 1.51 -1.20 -4.67 117.35 118.28 1nli s TYR 70 Ca 0.00 1.39 -0.30 0.00 -1.01 0.00 0.00 57.07 57.14 1nli s TYR 70 Cb 0.00 -3.36 -0.07 0.00 -0.11 0.00 0.00 41.96 38.42 1nli s TYR 70 CO 0.00 -1.01 1.65 0.42 -1.11 0.00 0.00 175.55 175.50 1nli s ILE 71 N 1.03 3.22 -0.07 2.71 1.01 -1.26 -1.57 121.20 126.27 1nli s ILE 71 Ca 0.57 0.57 0.08 0.00 0.00 0.00 0.00 60.65 61.87 1nli s ILE 71 Cb -0.28 -3.36 -0.24 0.00 0.01 0.00 0.00 42.46 38.59 1nli s ILE 71 CO 0.29 -0.02 0.58 0.23 0.00 0.00 0.00 174.94 176.02 1nli n MET 72 N 6.04 0.66 -3.83 2.79 2.81 0.10 -4.88 117.12 120.81 1nli n MET 72 Ca 0.16 0.28 0.00 0.00 -1.81 0.00 0.00 57.70 56.34 1nli n MET 72 Cb 0.41 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 1nli n MET 72 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nli n GLY 73 N 1.67 -1.51 3.38 3.03 0.00 -1.24 -1.95 105.19 108.58 1nli n GLY 73 Ca -0.21 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.54 1nli n GLY 73 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nli s TYR 74 N -2.88 0.02 -0.01 1.61 -0.85 0.10 -1.21 117.35 114.13 1nli s TYR 74 Ca 0.00 -0.38 0.08 0.00 -0.52 0.00 0.00 57.07 56.26 1nli s TYR 74 Cb 0.00 0.19 -0.02 0.00 0.38 0.00 0.00 41.96 42.51 1nli s TYR 74 CO 0.00 -0.76 -0.26 0.50 -1.52 0.00 0.00 175.55 173.51 1nli s ARG 75 N -3.88 2.03 -0.17 -3.49 3.52 0.07 -0.24 118.95 116.79 1nli s ARG 75 Ca 0.09 -0.95 -0.03 0.00 -0.13 0.00 0.00 55.73 54.71 1nli s ARG 75 Cb 0.02 -2.00 0.06 0.00 -1.56 0.00 0.00 34.95 31.46 1nli s ARG 75 CO -0.06 0.54 0.04 0.00 -0.81 0.00 0.00 175.30 175.02 1nli s ALA 76 N -0.64 0.86 0.00 6.12 0.00 -0.29 -2.10 121.76 125.71 1nli s ALA 76 Ca 0.10 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1nli s ALA 76 Cb -0.10 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 21.93 1nli s ALA 76 CO -0.00 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.10 1nli n GLY 77 N 5.10 3.96 0.96 0.00 0.00 -1.26 -2.17 105.19 111.77 1nli n GLY 77 Ca -0.08 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.08 1nli n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nli n ASP 78 N 8.31 2.89 -4.36 1.61 8.00 -1.26 -4.91 116.55 126.84 1nli n ASP 78 Ca 0.00 -1.91 -0.32 0.00 0.71 0.00 0.00 54.79 53.27 1nli n ASP 78 Cb 0.00 -0.16 -0.15 0.00 -0.02 0.00 0.00 41.12 40.79 1nli n ASP 78 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1nli s THR 79 N -1.68 2.58 0.05 -3.53 2.01 -0.92 -1.28 115.64 112.88 1nli s THR 79 Ca 0.35 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.51 1nli s THR 79 Cb 0.21 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 1nli s THR 79 CO 0.30 0.57 0.01 -0.94 -0.69 0.00 0.00 174.62 173.87 1nli s SER 80 N -0.29 5.14 -0.12 3.53 1.04 -0.48 -1.14 113.70 121.38 1nli s SER 80 Ca 0.01 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1nli s SER 80 Cb -0.13 -1.30 0.02 0.00 0.10 0.00 0.00 66.02 64.71 1nli s SER 80 CO 0.03 0.22 -0.11 -0.31 0.98 0.00 0.00 173.24 174.05 1nli s TYR 81 N -1.23 1.72 0.04 5.02 1.51 0.67 -0.23 117.35 124.84 1nli s TYR 81 Ca 0.24 -0.87 0.08 0.00 -1.01 0.00 0.00 57.07 55.52 1nli s TYR 81 Cb -0.12 -1.33 -0.03 0.00 -0.11 0.00 0.00 41.96 40.37 1nli s TYR 81 CO 0.16 -0.53 -0.24 -0.06 -1.11 0.00 0.00 175.55 173.77 1nli s PHE 82 N 1.45 2.15 0.62 2.71 0.40 -0.56 -0.72 117.98 124.04 1nli s PHE 82 Ca 0.02 -0.40 -0.18 0.00 -0.60 0.00 0.00 56.93 55.76 1nli s PHE 82 Cb -0.13 -1.30 -0.03 0.00 0.51 0.00 0.00 43.02 42.07 1nli s PHE 82 CO -0.07 0.10 1.15 1.19 0.70 0.00 0.00 175.22 178.28 1nli n PHE 83 N 1.89 1.45 -2.93 0.36 0.99 -0.82 -0.31 117.46 118.08 1nli n PHE 83 Ca -0.17 0.43 -0.44 0.00 -0.00 0.00 0.00 57.45 57.27 1nli n PHE 83 Cb 0.52 -2.21 -0.02 0.00 -1.00 0.00 0.00 39.48 36.76 1nli n PHE 83 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 1nli s ASN 84 N -1.29 6.66 -0.04 4.37 3.04 -0.01 -4.55 114.94 123.12 1nli s ASN 84 Ca 0.79 -2.12 -0.30 0.00 0.04 0.00 0.00 52.86 51.27 1nli s ASN 84 Cb -0.40 -2.40 0.11 0.00 -1.54 0.00 0.00 41.25 37.02 1nli s ASN 84 CO 0.44 -1.04 0.97 -1.83 -3.04 0.00 0.00 177.10 172.61 1nli s GLU 85 N 2.59 0.72 0.15 0.43 -1.05 -1.26 -3.35 118.70 116.92 1nli s GLU 85 Ca 0.33 -0.28 -0.17 0.00 -0.15 0.00 0.00 54.97 54.71 1nli s GLU 85 Cb -0.05 0.32 0.06 0.00 -0.44 0.00 0.00 34.13 34.02 1nli s GLU 85 CO -0.09 -0.31 1.74 0.00 0.95 0.00 0.00 175.26 177.55 1nli h ALA 86 N 2.00 0.39 -0.84 -0.84 0.00 -2.00 -1.98 119.26 115.99 1nli h ALA 86 Ca -0.19 0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.84 1nli h ALA 86 Cb 1.22 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1nli h ALA 86 CO 0.29 -0.30 0.50 0.66 0.00 0.00 0.00 179.25 180.40 1nli h SER 87 N 0.24 0.76 0.64 0.00 4.64 -1.98 -1.56 113.55 116.30 1nli h SER 87 Ca 0.16 0.03 -0.19 0.00 -0.47 0.00 0.00 61.79 61.32 1nli h SER 87 Cb 0.15 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1nli h SER 87 CO -0.18 0.47 -0.85 0.00 -0.87 0.00 0.00 176.83 175.40 1nli h ALA 88 N 1.42 0.57 -0.45 5.18 0.00 -1.67 -1.32 119.26 122.98 1nli h ALA 88 Ca 0.38 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1nli h ALA 88 Cb 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1nli h ALA 88 CO -0.20 0.94 0.25 1.15 0.00 0.00 0.00 179.25 181.38 1nli h THR 89 N 0.08 1.16 -0.30 0.00 2.02 -0.99 0.09 112.91 114.97 1nli h THR 89 Ca -0.03 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 1nli h THR 89 Cb 1.48 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1nli h THR 89 CO 0.13 0.17 0.14 -0.08 0.37 0.00 0.00 175.52 176.24 1nli h GLU 90 N 0.59 0.44 -0.80 6.66 4.57 -1.24 -3.00 114.58 121.80 1nli h GLU 90 Ca 0.16 -0.07 0.10 0.00 -1.18 0.00 0.00 59.36 58.37 1nli h GLU 90 Cb 0.04 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.50 1nli h GLU 90 CO -0.03 0.42 0.52 0.00 -1.18 0.00 0.00 179.01 178.75 1nli h ALA 91 N 0.99 1.76 0.00 2.92 0.00 -0.73 -1.95 119.26 122.25 1nli h ALA 91 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nli h ALA 91 Cb 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1nli h ALA 91 CO -0.01 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1nli h ALA 92 N 1.60 1.00 0.00 0.00 0.00 -0.84 0.28 119.26 121.30 1nli h ALA 92 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1nli h ALA 92 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1nli h ALA 92 CO -0.14 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.74 1nli n LYS 93 N -2.45 0.24 -0.03 0.00 5.02 -0.73 -4.28 118.16 115.93 1nli n LYS 93 Ca 0.00 0.20 -0.03 0.00 -2.02 0.00 0.00 58.31 56.46 1nli n LYS 93 Cb 0.16 -1.79 -0.05 0.00 -0.02 0.00 0.00 35.03 33.33 1nli n LYS 93 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1nli n TYR 94 N -2.21 0.00 -4.35 2.13 4.01 0.85 -4.99 117.16 112.60 1nli n TYR 94 Ca 0.06 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.53 1nli n TYR 94 Cb 0.42 -0.32 -0.10 0.00 -0.31 0.00 0.00 39.34 39.03 1nli n TYR 94 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1nli s VAL 95 N -2.16 2.86 -1.48 -0.72 -7.23 -0.37 -4.72 120.40 106.59 1nli s VAL 95 Ca -0.04 -1.82 -0.03 0.00 -1.81 0.00 0.00 61.98 58.28 1nli s VAL 95 Cb 0.02 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.56 1nli s VAL 95 CO 0.26 -0.12 0.40 0.49 -0.31 0.00 0.00 175.10 175.81 1nli n PHE 96 N 0.09 -1.54 0.12 2.82 3.72 -1.26 -4.64 117.46 116.77 1nli n PHE 96 Ca -0.11 0.34 0.01 0.00 -0.05 0.00 0.00 57.45 57.64 1nli n PHE 96 Cb 0.56 -4.06 0.32 0.00 -0.94 0.00 0.00 39.48 35.36 1nli n PHE 96 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1nli h LYS 97 N -0.91 0.20 -0.33 -1.08 1.57 -1.86 -2.32 116.57 111.84 1nli h LYS 97 Ca -0.48 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1nli h LYS 97 Cb 1.33 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1nli h LYS 97 CO 0.52 0.47 0.00 -0.40 -0.57 0.00 0.00 179.45 179.47 1nli n ASP 98 N -4.15 2.24 -4.71 0.86 5.75 -1.26 -4.90 116.55 110.38 1nli n ASP 98 Ca -0.01 -1.89 -0.43 0.00 -0.01 0.00 0.00 54.79 52.45 1nli n ASP 98 Cb 0.37 -0.22 -0.02 0.00 -1.03 0.00 0.00 41.12 40.22 1nli n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nli n ALA 99 N 0.71 1.78 -0.06 2.12 0.00 -0.88 -4.92 120.51 119.27 1nli n ALA 99 Ca 0.16 0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.84 1nli n ALA 99 Cb 0.39 -2.36 -0.06 0.00 0.00 0.00 0.00 19.45 17.42 1nli n ALA 99 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1nli h MET 100 N 4.45 0.75 -6.23 0.00 2.86 -1.53 -3.45 114.93 111.77 1nli h MET 100 Ca -0.46 -0.52 -0.69 0.00 -2.06 0.00 0.00 59.70 55.97 1nli h MET 100 Cb 1.25 0.08 -0.24 0.00 0.06 0.00 0.00 31.60 32.75 1nli h MET 100 CO 0.77 1.14 -0.78 1.03 1.06 0.00 0.00 176.91 180.14 1nli s ARG 101 N -3.97 2.57 -0.14 1.72 0.52 -0.96 -5.06 118.95 113.64 1nli s ARG 101 Ca -0.11 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.39 1nli s ARG 101 Cb 0.08 -2.38 0.02 0.00 0.52 0.00 0.00 34.95 33.19 1nli s ARG 101 CO 0.87 0.57 -0.14 0.21 0.02 0.00 0.00 175.30 176.83 1nli s LYS 102 N -0.61 2.25 -0.16 3.54 2.20 -1.26 -1.38 119.74 124.32 1nli s LYS 102 Ca 0.09 -0.54 -0.05 0.00 -0.36 0.00 0.00 55.97 55.10 1nli s LYS 102 Cb -0.11 -2.03 -0.03 0.00 -1.51 0.00 0.00 37.83 34.14 1nli s LYS 102 CO 0.01 -0.20 0.01 0.08 -0.36 0.00 0.00 175.35 174.89 1nli s VAL 103 N 1.38 4.30 -0.32 4.02 1.01 0.68 -4.96 120.40 126.51 1nli s VAL 103 Ca 0.02 -0.21 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 1nli s VAL 103 Cb -0.13 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1nli s VAL 103 CO -0.08 0.49 0.25 -0.89 0.00 0.00 0.00 175.10 174.87 1nli s THR 104 N 0.23 5.27 0.70 3.92 2.01 -1.26 -1.49 115.64 125.01 1nli s THR 104 Ca 0.00 -0.02 -0.16 0.00 0.31 0.00 0.00 61.69 61.82 1nli s THR 104 Cb -0.13 -3.68 0.02 0.00 0.01 0.00 0.00 72.50 68.72 1nli s THR 104 CO 0.02 0.06 1.25 -0.76 -0.69 0.00 0.00 174.62 174.50 1nli s LEU 105 N 1.80 3.43 -0.05 4.42 1.43 0.58 -4.90 118.68 125.39 1nli s LEU 105 Ca 0.08 2.48 0.01 0.00 -1.03 0.00 0.00 54.13 55.66 1nli s LEU 105 Cb -0.17 -4.60 0.09 0.00 0.03 0.00 0.00 46.19 41.54 1nli s LEU 105 CO 0.11 -2.16 1.00 -0.81 0.23 0.00 0.00 176.35 174.72 1nli n PRO 106 N -2.36 1.23 -3.50 1.29 -0.04 -1.26 -3.60 135.00 126.76 1nli n PRO 106 Ca 0.15 -0.38 -0.12 0.00 -0.04 0.00 0.00 63.50 63.11 1nli n PRO 106 Cb 0.49 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.67 1nli n PRO 106 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1nli s TYR 107 N -0.60 -0.44 1.03 0.54 -0.85 -1.26 -5.00 117.35 110.77 1nli s TYR 107 Ca 0.07 0.27 -0.15 0.00 -0.52 0.00 0.00 57.07 56.74 1nli s TYR 107 Cb 0.06 0.44 0.21 0.00 0.38 0.00 0.00 41.96 43.05 1nli s TYR 107 CO 0.02 -0.77 1.15 -1.54 -1.52 0.00 0.00 175.55 172.89 1nli s SER 108 N -2.57 2.40 -0.21 -0.18 1.04 -1.21 -0.83 113.70 112.13 1nli s SER 108 Ca -0.00 0.76 0.04 0.00 0.48 0.00 0.00 55.95 57.23 1nli s SER 108 Cb -0.00 -1.15 0.40 0.00 0.10 0.00 0.00 66.02 65.37 1nli s SER 108 CO -0.10 -3.22 1.41 0.61 0.98 0.00 0.00 173.24 172.92 1nli n GLY 109 N -1.87 3.04 3.75 7.32 0.00 -1.26 -4.57 105.19 111.60 1nli n GLY 109 Ca 0.10 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 1nli n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nli s ASN 110 N -0.32 7.59 0.38 1.61 3.84 -1.26 -4.93 114.94 121.84 1nli s ASN 110 Ca 0.31 1.88 0.05 0.00 0.21 0.00 0.00 52.86 55.31 1nli s ASN 110 Cb 0.25 -2.59 0.75 0.00 -0.55 0.00 0.00 41.25 39.11 1nli s ASN 110 CO 0.07 0.13 2.01 1.88 -2.79 0.00 0.00 177.10 178.40 1nli h TYR 111 N 4.40 0.69 -0.47 0.43 0.05 -1.99 -0.73 116.97 119.34 1nli h TYR 111 Ca -0.45 0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.21 1nli h TYR 111 Cb 1.20 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.70 1nli h TYR 111 CO 0.62 0.41 -0.24 0.93 -1.05 0.00 0.00 178.16 178.83 1nli h GLU 112 N 0.72 1.00 -0.16 4.88 4.39 -1.98 -1.24 114.58 122.20 1nli h GLU 112 Ca 0.23 -0.44 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 1nli h GLU 112 Cb 0.02 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1nli h GLU 112 CO -0.06 1.12 0.08 0.00 -1.16 0.00 0.00 179.01 178.99 1nli h ARG 113 N 0.85 0.22 -0.54 2.33 -0.00 -1.82 -2.60 114.38 112.84 1nli h ARG 113 Ca 0.10 -0.03 0.03 0.00 -0.50 0.00 0.00 59.98 59.58 1nli h ARG 113 Cb 0.82 -0.04 -0.04 0.00 0.00 0.00 0.00 29.97 30.72 1nli h ARG 113 CO 0.07 0.26 0.32 -0.07 0.00 0.00 0.00 179.97 180.55 1nli h LEU 114 N 0.13 0.50 -0.57 3.04 3.38 -1.06 -0.75 115.31 119.99 1nli h LEU 114 Ca 0.05 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1nli h LEU 114 Cb 0.11 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1nli h LEU 114 CO -0.01 0.35 -0.02 1.56 0.09 0.00 0.00 178.44 180.41 1nli h GLN 115 N 0.62 1.03 -0.35 1.13 4.20 -1.26 0.15 115.11 120.64 1nli h GLN 115 Ca 0.22 -0.34 0.05 0.00 0.06 0.00 0.00 58.65 58.64 1nli h GLN 115 Cb 0.05 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 1nli h GLN 115 CO -0.11 1.03 0.08 1.15 -0.67 0.00 0.00 178.83 180.31 1nli h THR 116 N 0.92 0.84 -0.39 -0.54 2.02 -1.36 -0.08 112.91 114.31 1nli h THR 116 Ca 0.16 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 67.22 1nli h THR 116 Cb 0.58 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1nli h THR 116 CO 0.03 0.04 0.05 0.00 0.37 0.00 0.00 175.52 176.01 1nli h ALA 117 N 1.25 1.35 0.00 6.16 0.00 -0.83 -2.79 119.26 124.40 1nli h ALA 117 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nli h ALA 117 Cb 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1nli h ALA 117 CO -0.21 0.46 -0.32 0.00 0.00 0.00 0.00 179.25 179.18 1nli h ALA 118 N 1.48 0.84 -0.64 0.00 0.00 -0.39 -3.46 119.26 117.08 1nli h ALA 118 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 1nli h ALA 118 Cb 0.30 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1nli h ALA 118 CO 0.00 0.00 -0.18 0.41 0.00 0.00 0.00 179.25 179.49 1nli n GLY 119 N 1.14 0.76 3.48 0.00 0.00 -0.07 -4.90 105.19 105.60 1nli n GLY 119 Ca 0.03 -0.61 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 1nli n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nli s LYS 120 N -3.20 0.83 0.45 1.61 1.02 -1.06 -5.06 119.74 114.33 1nli s LYS 120 Ca 0.00 0.49 -0.10 0.00 0.02 0.00 0.00 55.97 56.39 1nli s LYS 120 Cb 0.00 0.39 -0.06 0.00 -0.52 0.00 0.00 37.83 37.65 1nli s LYS 120 CO 0.00 -0.18 0.81 0.96 -0.92 0.00 0.00 175.35 176.02 1nli s ILE 121 N -0.44 4.79 0.27 2.17 -4.36 -1.26 -4.50 121.20 117.87 1nli s ILE 121 Ca -0.06 0.58 0.01 0.00 -0.26 0.00 0.00 60.65 60.91 1nli s ILE 121 Cb -0.03 -3.78 0.26 0.00 1.25 0.00 0.00 42.46 40.16 1nli s ILE 121 CO 0.05 -0.67 1.73 0.03 0.24 0.00 0.00 174.94 176.32 1nli h ARG 122 N 0.84 0.49 0.00 0.37 3.08 -1.97 -0.70 114.38 116.50 1nli h ARG 122 Ca -0.47 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1nli h ARG 122 Cb 1.19 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1nli h ARG 122 CO 0.63 0.33 0.03 0.93 -1.07 0.00 0.00 179.97 180.82 1nli h GLU 123 N 0.51 0.00 -0.42 0.04 5.08 -1.95 -1.41 114.58 116.43 1nli h GLU 123 Ca 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 1nli h GLU 123 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1nli h GLU 123 CO -0.44 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.66 1nli n ASN 124 N -2.89 3.25 -4.46 1.42 5.03 -0.27 -4.44 115.26 112.90 1nli n ASN 124 Ca -0.03 -1.93 -0.38 0.00 0.87 0.00 0.00 54.58 53.11 1nli n ASN 124 Cb 0.09 -0.28 -0.12 0.00 -1.02 0.00 0.00 39.78 38.46 1nli n ASN 124 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1nli s ILE 125 N -1.15 4.65 0.39 2.41 1.01 -0.53 -4.99 121.20 122.99 1nli s ILE 125 Ca 0.34 -0.33 -0.27 0.00 0.00 0.00 0.00 60.65 60.39 1nli s ILE 125 Cb 0.19 -3.34 -0.11 0.00 0.01 0.00 0.00 42.46 39.21 1nli s ILE 125 CO 0.25 0.11 1.33 -2.65 0.00 0.00 0.00 174.94 173.98 1nli n PRO 126 N 4.99 2.16 -4.35 2.79 -0.02 -1.26 -4.53 135.00 134.78 1nli n PRO 126 Ca -0.14 0.76 -0.28 0.00 -2.02 0.00 0.00 63.50 61.82 1nli n PRO 126 Cb 0.50 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 1nli n PRO 126 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1nli n LEU 127 N 0.42 0.00 0.00 2.45 4.77 0.31 -4.85 117.00 120.10 1nli n LEU 127 Ca 0.05 -2.82 0.00 0.00 -0.03 0.00 0.00 56.01 53.21 1nli n LEU 127 Cb 0.38 0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 1nli n LEU 127 CO 0.61 -0.40 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1nli n GLY 128 N -0.39 2.17 0.21 -0.72 0.00 -1.26 -1.02 105.19 104.18 1nli n GLY 128 Ca -0.17 -2.01 -0.03 0.00 0.00 0.00 0.00 46.02 43.80 1nli n GLY 128 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1nli h LEU 129 N 0.00 0.29 -1.79 0.99 3.38 -1.01 -1.35 115.31 115.81 1nli h LEU 129 Ca 0.00 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1nli h LEU 129 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1nli h LEU 129 CO 0.00 0.20 -0.15 -0.65 0.09 0.00 0.00 178.44 177.93 1nli h PRO 130 N 0.44 0.00 -0.19 1.13 0.11 -1.76 -0.59 132.00 131.15 1nli h PRO 130 Ca 0.24 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.23 1nli h PRO 130 Cb 0.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 1nli h PRO 130 CO -0.20 0.15 -0.39 0.00 -0.21 0.00 0.00 178.00 177.35 1nli h ALA 131 N 1.85 0.99 -0.34 -0.75 0.00 -1.54 -1.43 119.26 118.04 1nli h ALA 131 Ca -0.00 -0.42 -0.17 0.00 0.00 0.00 0.00 54.91 54.32 1nli h ALA 131 Cb 0.31 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1nli h ALA 131 CO 0.02 0.61 -0.46 1.25 0.00 0.00 0.00 179.25 180.67 1nli h LEU 132 N 0.35 0.98 0.06 0.00 5.85 -0.55 0.38 115.31 122.38 1nli h LEU 132 Ca 0.03 -0.48 0.02 0.00 0.84 0.00 0.00 57.88 58.30 1nli h LEU 132 Cb 0.84 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1nli h LEU 132 CO 0.07 1.28 -0.26 -0.78 -0.34 0.00 0.00 178.44 178.41 1nli h ASP 133 N 0.71 -0.74 -0.51 1.25 3.58 -0.99 -1.39 116.42 118.33 1nli h ASP 133 Ca 0.04 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 1nli h ASP 133 Cb 1.06 0.29 -0.03 0.00 1.72 0.00 0.00 39.33 42.37 1nli h ASP 133 CO 0.11 -0.34 0.28 0.28 -2.88 0.00 0.00 179.24 176.69 1nli h SER 134 N -0.43 0.66 -0.63 2.28 0.02 -0.97 -2.02 113.55 112.45 1nli h SER 134 Ca 0.04 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1nli h SER 134 Cb 0.48 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 1nli h SER 134 CO -0.18 0.54 0.23 0.00 -1.14 0.00 0.00 176.83 176.27 1nli h ALA 135 N 1.57 0.83 0.13 3.77 0.00 -0.71 -0.10 119.26 124.75 1nli h ALA 135 Ca 0.19 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nli h ALA 135 Cb 0.04 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1nli h ALA 135 CO -0.03 0.47 -0.09 0.82 0.00 0.00 0.00 179.25 180.42 1nli h ILE 136 N 0.90 0.80 -0.37 0.00 2.04 -0.82 -0.92 117.51 119.14 1nli h ILE 136 Ca 0.21 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.13 1nli h ILE 136 Cb 0.25 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 1nli h ILE 136 CO -0.01 0.00 0.02 0.74 0.00 0.00 0.00 178.15 178.90 1nli h THR 137 N -0.22 0.74 -0.70 -0.27 2.02 -1.19 0.52 112.91 113.81 1nli h THR 137 Ca -0.01 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.15 1nli h THR 137 Cb 0.19 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1nli h THR 137 CO 0.00 0.02 0.45 0.74 0.37 0.00 0.00 175.52 177.11 1nli h THR 138 N 0.12 1.13 0.00 3.16 2.02 -0.79 -1.83 112.91 116.73 1nli h THR 138 Ca 0.18 -0.31 -0.18 0.00 0.77 0.00 0.00 66.41 66.87 1nli h THR 138 Cb 0.25 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 1nli h THR 138 CO -0.29 0.16 -0.85 -0.07 0.37 0.00 0.00 175.52 174.84 1nli h LEU 139 N 0.90 0.03 -0.62 2.58 3.38 -0.79 -3.24 115.31 117.55 1nli h LEU 139 Ca 0.27 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 1nli h LEU 139 Cb -0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1nli h LEU 139 CO -0.09 0.87 -0.17 0.15 0.09 0.00 0.00 178.44 179.29 1nli h PHE 140 N 0.01 1.02 -2.48 1.13 3.57 -0.59 -3.10 116.94 116.50 1nli h PHE 140 Ca -0.01 -0.22 -0.78 0.00 3.53 0.00 0.00 57.97 60.48 1nli h PHE 140 Cb 1.50 -0.25 -0.29 0.00 2.79 0.00 0.00 35.95 39.70 1nli h PHE 140 CO 0.00 1.00 0.72 0.66 -2.23 0.00 0.00 178.31 178.46 1nli n TYR 141 N -4.13 2.74 -1.59 0.41 4.01 -0.71 -4.95 117.16 112.94 1nli n TYR 141 Ca 0.01 -2.78 -0.48 0.00 -0.16 0.00 0.00 57.90 54.49 1nli n TYR 141 Cb 0.42 -1.12 -0.04 0.00 -0.31 0.00 0.00 39.34 38.30 1nli n TYR 141 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1nli n TYR 142 N 0.44 1.43 -3.62 -0.72 4.19 -1.17 -4.84 117.16 112.87 1nli n TYR 142 Ca 0.37 0.64 -0.22 0.00 3.31 0.00 0.00 57.90 62.01 1nli n TYR 142 Cb 0.30 -2.31 -0.16 0.00 0.49 0.00 0.00 39.34 37.66 1nli n TYR 142 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1nli s ASN 143 N 0.05 1.65 0.28 2.98 3.04 -1.26 -5.05 114.94 116.63 1nli s ASN 143 Ca 0.72 -0.23 0.02 0.00 0.04 0.00 0.00 52.86 53.41 1nli s ASN 143 Cb -0.82 -0.05 0.68 0.00 -1.54 0.00 0.00 41.25 39.52 1nli s ASN 143 CO 0.52 -0.30 1.67 0.00 -3.04 0.00 0.00 177.10 175.95 1nli h ALA 144 N 8.40 1.30 0.00 1.71 0.00 -1.96 -0.58 119.26 128.14 1nli h ALA 144 Ca -0.14 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nli h ALA 144 Cb 1.14 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1nli h ALA 144 CO 0.23 -0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.18 1nli n ASN 145 N -5.13 0.46 -0.00 0.00 4.13 -1.26 -3.37 115.26 110.09 1nli n ASN 145 Ca 0.21 0.58 0.03 0.00 1.68 0.00 0.00 54.58 57.07 1nli n ASN 145 Cb 0.64 -0.69 -0.04 0.00 -1.54 0.00 0.00 39.78 38.16 1nli n ASN 145 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1nli n SER 146 N -1.97 0.34 0.02 6.41 3.41 -0.27 -4.79 113.62 116.76 1nli n SER 146 Ca 0.04 -0.64 -0.08 0.00 -0.26 0.00 0.00 58.87 57.93 1nli n SER 146 Cb 0.30 1.00 0.08 0.00 -0.26 0.00 0.00 64.21 65.34 1nli n SER 146 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nli h ALA 147 N 0.89 0.76 -0.47 7.33 0.00 -1.44 -3.04 119.26 123.29 1nli h ALA 147 Ca 0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 1nli h ALA 147 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1nli h ALA 147 CO 0.00 0.68 0.05 0.00 0.00 0.00 0.00 179.25 179.98 1nli h ALA 148 N 1.04 0.63 -0.56 0.00 0.00 -1.87 0.31 119.26 118.82 1nli h ALA 148 Ca 0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1nli h ALA 148 Cb 1.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1nli h ALA 148 CO 0.10 0.38 0.23 1.03 0.00 0.00 0.00 179.25 180.99 1nli h SER 149 N 0.66 0.76 -0.56 0.00 0.87 -1.83 -1.86 113.55 111.59 1nli h SER 149 Ca 0.14 -0.17 -0.04 0.00 -1.23 0.00 0.00 61.79 60.49 1nli h SER 149 Cb 0.43 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1nli h SER 149 CO 0.01 0.72 0.21 0.00 -0.53 0.00 0.00 176.83 177.25 1nli h ALA 150 N 1.07 1.24 -0.04 6.23 0.00 -1.36 -1.59 119.26 124.81 1nli h ALA 150 Ca 0.19 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1nli h ALA 150 Cb 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1nli h ALA 150 CO -0.02 0.54 -0.49 -0.07 0.00 0.00 0.00 179.25 179.22 1nli h LEU 151 N 0.87 0.11 -0.48 0.00 3.38 -0.67 -0.12 115.31 118.41 1nli h LEU 151 Ca 0.20 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 1nli h LEU 151 Cb 0.22 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1nli h LEU 151 CO -0.01 0.59 -0.62 0.24 0.09 0.00 0.00 178.44 178.72 1nli h MET 152 N 0.08 0.49 -0.46 1.13 2.86 -0.52 -0.19 114.93 118.33 1nli h MET 152 Ca 0.00 -0.34 -0.03 0.00 -2.06 0.00 0.00 59.70 57.27 1nli h MET 152 Cb 0.90 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.59 1nli h MET 152 CO 0.07 0.96 0.18 0.28 1.06 0.00 0.00 176.91 179.46 1nli h VAL 153 N 0.36 1.21 -0.33 -2.22 2.07 -1.03 -2.56 116.25 113.75 1nli h VAL 153 Ca -0.01 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 66.89 1nli h VAL 153 Cb 1.18 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1nli h VAL 153 CO 0.11 0.24 0.16 0.25 0.02 0.00 0.00 177.57 178.35 1nli h LEU 154 N 0.60 0.24 -0.36 2.57 5.85 -0.76 -1.08 115.31 122.37 1nli h LEU 154 Ca 0.15 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1nli h LEU 154 Cb 0.20 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1nli h LEU 154 CO -0.01 0.18 0.22 0.40 -0.34 0.00 0.00 178.44 178.88 1nli h ILE 155 N 0.34 1.12 -0.01 4.05 2.04 -0.95 -2.12 117.51 121.99 1nli h ILE 155 Ca 0.14 -0.29 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 1nli h ILE 155 Cb 0.06 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1nli h ILE 155 CO -0.10 0.13 -0.45 1.56 0.00 0.00 0.00 178.15 179.29 1nli h GLN 156 N 0.47 0.01 -0.00 2.37 4.20 -1.33 -1.13 115.11 119.70 1nli h GLN 156 Ca 0.13 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1nli h GLN 156 Cb 0.01 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1nli h GLN 156 CO -0.02 0.46 -0.25 0.43 -0.67 0.00 0.00 178.83 178.77 1nli n SER 157 N -4.01 0.31 0.00 1.46 7.64 -0.42 -2.74 113.62 115.87 1nli n SER 157 Ca -0.02 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1nli n SER 157 Cb 0.47 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1nli n SER 157 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1nli n THR 158 N -1.41 0.00 -0.09 0.44 -2.24 -0.84 -4.70 114.28 105.44 1nli n THR 158 Ca 0.07 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.79 1nli n THR 158 Cb 0.33 -0.26 -0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1nli n THR 158 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1nli h SER 159 N 0.00 -0.68 -0.31 3.42 0.02 -1.49 0.17 113.55 114.68 1nli h SER 159 Ca 0.00 0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 60.98 1nli h SER 159 Cb 0.00 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1nli h SER 159 CO 0.00 -0.24 -0.24 0.00 -1.14 0.00 0.00 176.83 175.22 1nli h ALA 160 N 1.04 0.84 -0.75 3.77 0.00 -1.36 -2.00 119.26 120.80 1nli h ALA 160 Ca 0.17 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1nli h ALA 160 Cb 0.43 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1nli h ALA 160 CO -0.44 0.64 0.24 0.00 0.00 0.00 0.00 179.25 179.69 1nli h ALA 161 N 1.04 0.98 -0.33 0.00 0.00 -1.26 -2.27 119.26 117.42 1nli h ALA 161 Ca 0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1nli h ALA 161 Cb 0.76 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1nli h ALA 161 CO 0.06 0.65 -0.01 0.00 0.00 0.00 0.00 179.25 179.95 1nli h ALA 162 N 1.12 1.36 0.00 0.00 0.00 -0.62 -3.01 119.26 118.11 1nli h ALA 162 Ca 0.24 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1nli h ALA 162 Cb 0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1nli h ALA 162 CO -0.01 0.44 -0.61 0.00 0.00 0.00 0.00 179.25 179.07 1nli h ARG 163 N 0.49 0.00 -3.42 0.00 3.08 -0.89 -3.40 114.38 110.23 1nli h ARG 163 Ca 0.10 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.77 1nli h ARG 163 Cb 0.34 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.01 1nli h ARG 163 CO 0.01 0.61 -0.75 0.71 -1.07 0.00 0.00 179.97 179.48 1nli s TYR 164 N -3.34 0.24 0.39 3.04 2.02 -0.90 0.64 117.35 119.43 1nli s TYR 164 Ca 0.00 0.13 0.12 0.00 -0.37 0.00 0.00 57.07 56.96 1nli s TYR 164 Cb 0.11 -0.57 0.93 0.00 -0.40 0.00 0.00 41.96 42.02 1nli s TYR 164 CO 0.75 -0.23 1.90 0.87 -1.57 0.00 0.00 175.55 177.26 1nli h LYS 165 N 8.41 0.55 -0.62 -0.62 1.57 -1.29 -2.04 116.57 122.52 1nli h LYS 165 Ca -0.14 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1nli h LYS 165 Cb 1.12 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 1nli h LYS 165 CO 0.18 0.36 0.36 0.35 -0.57 0.00 0.00 179.45 180.14 1nli h PHE 166 N 0.56 0.83 -0.32 -1.35 3.57 -1.88 -0.33 116.94 118.02 1nli h PHE 166 Ca 0.41 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.80 1nli h PHE 166 Cb 0.77 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1nli h PHE 166 CO -0.00 0.58 -0.19 0.82 -2.23 0.00 0.00 178.31 177.28 1nli h ILE 167 N 0.84 1.29 -0.26 1.41 2.04 -1.71 -1.38 117.51 119.74 1nli h ILE 167 Ca 0.22 -1.32 0.06 0.00 1.00 0.00 0.00 64.86 64.83 1nli h ILE 167 Cb 0.00 1.46 -0.08 0.00 -0.74 0.00 0.00 36.82 37.46 1nli h ILE 167 CO -0.04 0.43 -0.30 -0.08 0.00 0.00 0.00 178.15 178.15 1nli h GLU 168 N 0.45 -0.30 -0.61 2.37 4.81 -1.13 -1.44 114.58 118.75 1nli h GLU 168 Ca 0.07 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1nli h GLU 168 Cb 0.73 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.15 1nli h GLU 168 CO 0.05 -0.20 0.14 1.96 -0.73 0.00 0.00 179.01 180.24 1nli h GLN 169 N -0.31 0.95 -0.24 1.92 4.20 -0.89 -0.51 115.11 120.24 1nli h GLN 169 Ca 0.13 -0.21 -0.16 0.00 0.06 0.00 0.00 58.65 58.47 1nli h GLN 169 Cb 0.52 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1nli h GLN 169 CO -0.43 0.85 -0.49 1.96 -0.67 0.00 0.00 178.83 180.05 1nli h GLN 170 N 0.91 0.75 -0.15 1.46 1.08 -0.93 -2.60 115.11 115.62 1nli h GLN 170 Ca 0.19 -0.49 -0.04 0.00 -1.45 0.00 0.00 58.65 56.87 1nli h GLN 170 Cb 0.34 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1nli h GLN 170 CO 0.00 1.11 -0.04 0.82 -0.95 0.00 0.00 178.83 179.77 1nli h ILE 171 N 0.48 1.29 0.00 2.54 2.04 -1.16 -3.29 117.51 119.41 1nli h ILE 171 Ca 0.01 -1.01 -0.06 0.00 1.00 0.00 0.00 64.86 64.79 1nli h ILE 171 Cb 1.10 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 1nli h ILE 171 CO 0.11 0.30 -0.28 1.23 0.00 0.00 0.00 178.15 179.50 1nli h GLY 172 N -0.01 0.00 2.00 5.37 0.00 -1.09 -2.69 103.07 106.65 1nli h GLY 172 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 1nli h GLY 172 CO 0.02 0.00 -0.10 0.50 0.00 0.00 0.00 176.54 176.96 1nli h LYS 173 N 0.00 0.00 -4.86 4.80 1.57 -1.53 -3.34 116.57 113.21 1nli h LYS 173 Ca -0.00 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 58.06 1nli h LYS 173 Cb 0.52 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.65 1nli h LYS 173 CO 0.04 0.10 1.06 1.03 -0.57 0.00 0.00 179.45 181.11 1nli s ARG 174 N -4.77 3.84 -0.15 3.15 3.00 -1.01 -4.78 118.95 118.23 1nli s ARG 174 Ca -0.04 -2.18 -0.15 0.00 0.00 0.00 0.00 55.73 53.36 1nli s ARG 174 Cb 0.16 -4.97 -0.24 0.00 0.00 0.00 0.00 34.95 29.90 1nli s ARG 174 CO 0.67 -1.75 0.38 0.28 0.00 0.00 0.00 175.30 174.87 1nli h VAL 175 N 5.24 0.85 -0.15 3.52 2.07 -1.84 0.43 116.25 126.38 1nli h VAL 175 Ca 0.23 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.45 1nli h VAL 175 Cb 0.95 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 1nli h VAL 175 CO 1.16 0.64 0.00 0.47 0.02 0.00 0.00 177.57 179.86 1nli n ASP 176 N -3.95 2.33 -4.07 0.57 8.00 -1.26 -4.20 116.55 113.98 1nli n ASP 176 Ca -0.30 -1.92 -0.13 0.00 0.71 0.00 0.00 54.79 53.16 1nli n ASP 176 Cb 0.87 -0.10 -0.09 0.00 -0.02 0.00 0.00 41.12 41.78 1nli n ASP 176 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1nli s LYS 177 N -0.94 1.30 0.29 -1.24 1.02 -1.26 -5.00 119.74 113.91 1nli s LYS 177 Ca 0.10 -1.66 0.08 0.00 0.02 0.00 0.00 55.97 54.51 1nli s LYS 177 Cb 0.06 0.29 -0.06 0.00 -0.52 0.00 0.00 37.83 37.60 1nli s LYS 177 CO 0.07 -0.44 -0.08 0.95 -0.92 0.00 0.00 175.35 174.93 1nli s THR 178 N -4.05 1.82 0.10 2.17 -4.23 -1.26 -4.39 115.64 105.81 1nli s THR 178 Ca 0.38 -2.16 -0.11 0.00 -1.18 0.00 0.00 61.69 58.62 1nli s THR 178 Cb 0.06 -2.47 0.01 0.00 1.34 0.00 0.00 72.50 71.44 1nli s THR 178 CO 0.14 -0.29 0.26 0.72 -0.54 0.00 0.00 174.62 174.90 1nli s PHE 179 N -2.90 0.05 -0.12 3.99 -0.12 -0.19 -4.96 117.98 113.74 1nli s PHE 179 Ca 0.30 -0.45 -0.15 0.00 -0.05 0.00 0.00 56.93 56.58 1nli s PHE 179 Cb 0.03 0.04 -0.05 0.00 -0.63 0.00 0.00 43.02 42.41 1nli s PHE 179 CO 0.13 -0.60 0.36 -0.51 -0.05 0.00 0.00 175.22 174.56 1nli s LEU 180 N -2.85 4.30 0.33 -1.99 1.43 -1.26 -0.53 118.68 118.11 1nli s LEU 180 Ca 0.05 0.68 -0.29 0.00 -1.03 0.00 0.00 54.13 53.54 1nli s LEU 180 Cb 0.04 -2.50 -0.11 0.00 0.03 0.00 0.00 46.19 43.65 1nli s LEU 180 CO -0.11 0.12 1.46 -2.16 0.23 0.00 0.00 176.35 175.89 1nli s PRO 181 N 0.18 4.19 0.91 1.29 0.04 -1.26 -4.99 135.00 135.36 1nli s PRO 181 Ca 0.21 2.45 -0.12 0.00 0.04 0.00 0.00 61.00 63.58 1nli s PRO 181 Cb -0.14 -3.03 0.13 0.00 0.04 0.00 0.00 34.50 31.51 1nli s PRO 181 CO 0.07 -0.46 1.09 -1.54 0.04 0.00 0.00 177.00 176.21 1nli s SER 182 N -0.01 3.41 0.59 6.66 1.04 -1.26 -4.68 113.70 119.46 1nli s SER 182 Ca 0.55 1.41 0.30 0.00 0.48 0.00 0.00 55.95 58.68 1nli s SER 182 Cb -0.44 -2.09 1.76 0.00 0.10 0.00 0.00 66.02 65.35 1nli s SER 182 CO 0.54 -2.67 2.19 -0.07 0.98 0.00 0.00 173.24 174.21 1nli h LEU 183 N -1.57 0.00 -0.92 2.42 3.38 -1.94 -0.69 115.31 115.99 1nli h LEU 183 Ca -0.50 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 1nli h LEU 183 Cb 1.29 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.00 1nli h LEU 183 CO 0.56 0.00 0.54 0.00 0.09 0.00 0.00 178.44 179.63 1nli h ALA 184 N 1.89 1.18 -0.32 1.53 0.00 -1.78 0.26 119.26 122.01 1nli h ALA 184 Ca 0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1nli h ALA 184 Cb 0.22 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1nli h ALA 184 CO -0.00 0.64 -0.17 0.82 0.00 0.00 0.00 179.25 180.54 1nli h ILE 185 N 1.27 1.29 -0.05 0.00 2.04 -1.44 -0.50 117.51 120.12 1nli h ILE 185 Ca 0.33 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1nli h ILE 185 Cb -0.04 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1nli h ILE 185 CO -0.06 0.42 0.03 0.40 0.00 0.00 0.00 178.15 178.94 1nli h ILE 186 N 0.45 1.03 -0.27 -0.67 5.03 -1.17 -2.30 117.51 119.62 1nli h ILE 186 Ca 0.07 -0.09 -0.01 0.00 -0.12 0.00 0.00 64.86 64.71 1nli h ILE 186 Cb 0.70 1.00 -0.01 0.00 -3.03 0.00 0.00 36.82 35.48 1nli h ILE 186 CO 0.05 0.03 0.12 -1.28 -0.68 0.00 0.00 178.15 176.39 1nli h SER 187 N 0.05 0.36 -0.32 1.72 0.87 -0.39 0.35 113.55 116.19 1nli h SER 187 Ca 0.02 -0.14 0.05 0.00 -1.23 0.00 0.00 61.79 60.48 1nli h SER 187 Cb 0.02 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 1nli h SER 187 CO -0.00 0.40 0.06 -0.07 -0.53 0.00 0.00 176.83 176.69 1nli h LEU 188 N 0.29 0.01 -0.70 2.23 3.38 -1.04 -0.78 115.31 118.70 1nli h LEU 188 Ca 0.09 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1nli h LEU 188 Cb 0.15 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1nli h LEU 188 CO -0.01 0.04 0.29 0.00 0.09 0.00 0.00 178.44 178.85 1nli h ALA 189 N 1.24 0.91 -0.59 1.53 0.00 -1.17 -2.30 119.26 118.88 1nli h ALA 189 Ca 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1nli h ALA 189 Cb 0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1nli h ALA 189 CO -0.20 0.53 0.30 -0.91 0.00 0.00 0.00 179.25 178.97 1nli h ASN 190 N 1.00 0.74 -0.52 0.00 2.35 -0.35 -3.13 115.58 115.68 1nli h ASN 190 Ca 0.24 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1nli h ASN 190 Cb 0.20 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1nli h ASN 190 CO -0.02 0.62 0.00 -1.20 -1.65 0.00 0.00 177.43 175.17 1nli n SER 191 N -4.37 3.67 0.02 5.81 7.64 -0.35 -4.59 113.62 121.44 1nli n SER 191 Ca 0.05 -2.00 -0.10 0.00 1.01 0.00 0.00 58.87 57.83 1nli n SER 191 Cb 0.11 -0.34 -0.04 0.00 -1.01 0.00 0.00 64.21 62.93 1nli n SER 191 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1nli h TRP 192 N 4.45 -0.21 -0.45 1.43 7.01 -1.38 0.10 115.95 126.89 1nli h TRP 192 Ca 0.00 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.06 1nli h TRP 192 Cb 1.00 0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 28.12 1nli h TRP 192 CO 0.34 -0.13 0.19 1.03 -2.79 0.00 0.00 178.44 177.07 1nli h SER 193 N -0.12 0.24 -0.17 2.65 0.87 -1.86 -1.13 113.55 114.04 1nli h SER 193 Ca 0.06 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1nli h SER 193 Cb 0.20 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1nli h SER 193 CO -0.14 0.17 0.02 0.00 -0.53 0.00 0.00 176.83 176.35 1nli h ALA 194 N 1.28 0.23 -0.41 6.23 0.00 -1.78 -0.93 119.26 123.88 1nli h ALA 194 Ca 0.21 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1nli h ALA 194 Cb 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1nli h ALA 194 CO -0.18 -0.10 0.24 -0.07 0.00 0.00 0.00 179.25 179.14 1nli h LEU 195 N 0.06 0.40 -0.49 0.00 3.38 -0.76 -0.97 115.31 116.93 1nli h LEU 195 Ca 0.05 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.11 1nli h LEU 195 Cb 0.33 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1nli h LEU 195 CO 0.00 0.29 0.09 0.28 0.09 0.00 0.00 178.44 179.19 1nli h SER 196 N 0.49 -0.02 -0.54 -0.43 0.02 -1.03 -0.62 113.55 111.42 1nli h SER 196 Ca 0.16 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1nli h SER 196 Cb -0.00 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1nli h SER 196 CO -0.07 0.02 0.29 0.50 -1.14 0.00 0.00 176.83 176.42 1nli h LYS 197 N 0.22 0.77 -0.16 3.45 3.64 -0.78 -2.47 116.57 121.24 1nli h LYS 197 Ca 0.25 -0.10 -0.15 0.00 -1.27 0.00 0.00 60.65 59.38 1nli h LYS 197 Cb 0.33 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1nli h LYS 197 CO -0.33 0.61 -0.52 1.96 -2.27 0.00 0.00 179.45 178.89 1nli h GLN 198 N 0.73 0.44 -0.40 1.90 1.08 -0.68 -1.65 115.11 116.53 1nli h GLN 198 Ca 0.19 -0.26 -0.08 0.00 -1.45 0.00 0.00 58.65 57.04 1nli h GLN 198 Cb 0.07 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 1nli h GLN 198 CO -0.03 0.85 -0.09 0.82 -0.95 0.00 0.00 178.83 179.43 1nli h ILE 199 N 0.34 1.25 -0.39 2.54 2.04 -0.96 0.30 117.51 122.63 1nli h ILE 199 Ca 0.01 -1.09 -0.08 0.00 1.00 0.00 0.00 64.86 64.70 1nli h ILE 199 Cb 1.03 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1nli h ILE 199 CO 0.09 0.37 -0.08 1.56 0.00 0.00 0.00 178.15 180.10 1nli h GLN 200 N 0.64 0.75 -0.59 2.37 4.20 -1.21 -2.26 115.11 119.00 1nli h GLN 200 Ca 0.11 -0.28 -0.07 0.00 0.06 0.00 0.00 58.65 58.47 1nli h GLN 200 Cb 0.53 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 1nli h GLN 200 CO 0.03 0.88 0.08 0.82 -0.67 0.00 0.00 178.83 179.97 1nli h ILE 201 N 0.56 1.25 -0.84 2.54 2.04 -0.97 -2.30 117.51 119.80 1nli h ILE 201 Ca 0.10 -0.99 0.06 0.00 1.00 0.00 0.00 64.86 65.03 1nli h ILE 201 Cb 0.59 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 1nli h ILE 201 CO 0.04 0.37 0.51 0.00 0.00 0.00 0.00 178.15 179.07 1nli h ALA 202 N 1.17 1.15 -0.21 1.87 0.00 -0.13 -0.99 119.26 122.11 1nli h ALA 202 Ca 0.18 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1nli h ALA 202 Cb 0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1nli h ALA 202 CO 0.01 0.25 0.34 0.66 0.00 0.00 0.00 179.25 180.52 1nli h SER 203 N 0.94 0.00 -0.20 0.00 4.64 -0.82 0.89 113.55 118.99 1nli h SER 203 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1nli h SER 203 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1nli h SER 203 CO -0.17 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.14 1nli n THR 204 N -3.43 0.32 -2.64 2.95 -2.24 -0.39 -4.63 114.28 104.21 1nli n THR 204 Ca 0.03 -0.66 0.02 0.00 -2.27 0.00 0.00 64.05 61.17 1nli n THR 204 Cb 0.46 1.11 0.03 0.00 -2.10 0.00 0.00 70.33 69.83 1nli n THR 204 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1nli n ASN 205 N 1.11 1.22 -4.13 3.42 5.15 0.12 -4.99 115.26 117.16 1nli n ASN 205 Ca 0.14 -2.01 -0.31 0.00 -0.60 0.00 0.00 54.58 51.80 1nli n ASN 205 Cb 0.49 -0.37 -0.04 0.00 -0.53 0.00 0.00 39.78 39.34 1nli n ASN 205 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1nli n ASN 206 N 0.02 -1.10 0.00 1.20 4.13 -1.13 -2.36 115.26 116.03 1nli n ASN 206 Ca 0.06 -1.07 0.00 0.00 1.68 0.00 0.00 54.58 55.25 1nli n ASN 206 Cb 1.00 -2.64 0.00 0.00 -1.54 0.00 0.00 39.78 36.60 1nli n ASN 206 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1nli n GLY 207 N -1.87 0.80 3.80 7.41 0.00 -0.14 -5.01 105.19 110.17 1nli n GLY 207 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1nli n GLY 207 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nli s GLN 208 N -0.03 3.70 0.54 1.61 -0.21 -0.99 -1.26 119.66 123.01 1nli s GLN 208 Ca 0.00 -0.20 -0.21 0.00 0.02 0.00 0.00 55.36 54.97 1nli s GLN 208 Cb 0.00 -3.24 -0.05 0.00 1.00 0.00 0.00 33.01 30.72 1nli s GLN 208 CO 0.00 0.58 1.28 -0.06 -2.12 0.00 0.00 175.29 174.97 1nli s PHE 209 N -0.45 2.43 0.07 0.91 2.99 0.01 -3.86 117.98 120.07 1nli s PHE 209 Ca 0.12 1.44 0.01 0.00 0.00 0.00 0.00 56.93 58.49 1nli s PHE 209 Cb -0.12 -3.64 -0.26 0.00 0.00 0.00 0.00 43.02 39.00 1nli s PHE 209 CO 0.02 -2.46 1.09 1.49 -0.00 0.00 0.00 175.22 175.36 1nli h GLU 210 N 1.46 0.17 -4.52 0.44 4.81 -1.88 -3.46 114.58 111.60 1nli h GLU 210 Ca -0.50 -0.28 -0.41 0.00 -0.13 0.00 0.00 59.36 58.04 1nli h GLU 210 Cb 1.29 0.11 -0.30 0.00 0.63 0.00 0.00 28.75 30.47 1nli h GLU 210 CO 0.57 1.08 -0.78 -1.12 -0.73 0.00 0.00 179.01 178.04 1nli s SER 211 N -6.91 1.07 0.72 1.04 0.01 -1.26 -5.15 113.70 103.22 1nli s SER 211 Ca -0.04 -0.16 -0.14 0.00 1.31 0.00 0.00 55.95 56.92 1nli s SER 211 Cb 0.08 -0.26 0.03 0.00 0.21 0.00 0.00 66.02 66.08 1nli s SER 211 CO 0.85 0.06 1.14 -2.84 0.41 0.00 0.00 173.24 172.87 1nli s PRO 212 N 0.15 2.35 -0.20 12.44 0.02 -1.26 -4.95 135.00 143.54 1nli s PRO 212 Ca -0.02 1.51 -0.02 0.00 0.02 0.00 0.00 61.00 62.49 1nli s PRO 212 Cb -0.07 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.57 1nli s PRO 212 CO 0.00 -1.62 -0.11 0.08 -0.33 0.00 0.00 177.00 175.03 1nli s VAL 213 N -2.31 2.84 -0.13 3.83 1.01 -0.26 -4.93 120.40 120.46 1nli s VAL 213 Ca 0.69 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.79 1nli s VAL 213 Cb -0.23 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1nli s VAL 213 CO 0.46 0.47 0.60 -0.69 0.00 0.00 0.00 175.10 175.94 1nli s VAL 214 N 1.39 5.08 0.26 2.92 1.01 -1.26 -0.97 120.40 128.83 1nli s VAL 214 Ca 0.05 1.19 0.07 0.00 0.00 0.00 0.00 61.98 63.29 1nli s VAL 214 Cb -0.14 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 1nli s VAL 214 CO -0.07 0.22 -0.08 -0.76 0.00 0.00 0.00 175.10 174.41 1nli s LEU 215 N 1.18 2.49 -0.19 3.92 1.43 0.04 -4.96 118.68 122.59 1nli s LEU 215 Ca 0.30 -1.14 -0.02 0.00 -1.03 0.00 0.00 54.13 52.24 1nli s LEU 215 Cb -0.16 -0.63 -0.01 0.00 0.03 0.00 0.00 46.19 45.42 1nli s LEU 215 CO 0.13 -0.30 -0.08 -0.63 0.23 0.00 0.00 176.35 175.70 1nli s ILE 216 N -3.02 3.21 0.71 -0.59 1.01 -1.26 -0.08 121.20 121.19 1nli s ILE 216 Ca 0.27 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 1nli s ILE 216 Cb 0.02 -2.42 0.11 0.00 0.01 0.00 0.00 42.46 40.18 1nli s ILE 216 CO 0.10 0.46 0.99 0.54 0.00 0.00 0.00 174.94 177.03 1nli s ASN 217 N 1.11 4.44 0.64 3.58 2.20 -0.25 -3.96 114.94 122.69 1nli s ASN 217 Ca 0.01 -0.21 0.41 0.00 -0.94 0.00 0.00 52.86 52.13 1nli s ASN 217 Cb -0.15 -0.25 2.20 0.00 -2.00 0.00 0.00 41.25 41.06 1nli s ASN 217 CO -0.02 -1.80 2.30 0.00 -2.94 0.00 0.00 177.10 174.65 1nli h ALA 218 N -0.52 1.07 -0.42 3.54 0.00 -1.96 0.22 119.26 121.19 1nli h ALA 218 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1nli h ALA 218 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1nli h ALA 218 CO 0.43 0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.73 1nli n GLN 219 N -3.19 3.42 -1.19 0.00 6.02 -1.26 -4.92 117.38 116.25 1nli n GLN 219 Ca -0.02 -2.12 -0.07 0.00 -0.01 0.00 0.00 57.00 54.78 1nli n GLN 219 Cb 0.11 -1.91 -0.03 0.00 1.02 0.00 0.00 30.24 29.43 1nli n GLN 219 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1nli n ASN 220 N 0.55 -5.21 -4.75 1.08 3.02 0.77 -5.00 115.26 105.72 1nli n ASN 220 Ca 0.19 0.16 -0.40 0.00 -0.03 0.00 0.00 54.58 54.50 1nli n ASN 220 Cb 0.82 -3.28 -0.06 0.00 -0.61 0.00 0.00 39.78 36.64 1nli n ASN 220 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1nli s GLN 221 N -2.30 4.80 -0.15 3.52 -0.21 -1.26 -4.76 119.66 119.32 1nli s GLN 221 Ca 0.00 1.43 -0.23 0.00 0.02 0.00 0.00 55.36 56.58 1nli s GLN 221 Cb 0.00 -3.28 -0.02 0.00 1.00 0.00 0.00 33.01 30.70 1nli s GLN 221 CO 0.00 0.52 0.73 1.03 -2.12 0.00 0.00 175.29 175.44 1nli s ARG 222 N -1.12 4.31 0.08 2.91 3.00 -1.26 -1.09 118.95 125.78 1nli s ARG 222 Ca 0.40 0.85 0.07 0.00 0.00 0.00 0.00 55.73 57.05 1nli s ARG 222 Cb -0.25 -3.54 -0.03 0.00 0.00 0.00 0.00 34.95 31.13 1nli s ARG 222 CO 0.31 -0.18 -0.17 0.14 0.00 0.00 0.00 175.30 175.40 1nli s VAL 223 N 1.65 1.40 -0.35 3.52 -7.23 0.89 -4.98 120.40 115.30 1nli s VAL 223 Ca 0.35 -1.40 -0.04 0.00 -1.81 0.00 0.00 61.98 59.09 1nli s VAL 223 Cb -0.17 -1.30 0.07 0.00 0.56 0.00 0.00 36.38 35.54 1nli s VAL 223 CO 0.14 -0.13 0.10 -0.89 -0.31 0.00 0.00 175.10 174.00 1nli s THR 224 N -1.19 3.32 -0.11 5.32 2.01 -1.26 -0.78 115.64 122.94 1nli s THR 224 Ca 0.02 -1.53 -0.14 0.00 0.31 0.00 0.00 61.69 60.35 1nli s THR 224 Cb -0.10 -3.02 -0.05 0.00 0.01 0.00 0.00 72.50 69.34 1nli s THR 224 CO 0.03 -0.32 0.34 -0.63 -0.69 0.00 0.00 174.62 173.35 1nli s ILE 225 N 1.26 5.24 0.00 1.82 -1.09 -0.14 -4.90 121.20 123.39 1nli s ILE 225 Ca 0.00 0.66 0.00 0.00 -2.23 0.00 0.00 60.65 59.08 1nli s ILE 225 Cb -0.21 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 1nli s ILE 225 CO -0.01 0.44 0.12 0.35 -1.23 0.00 0.00 174.94 174.61 1nli n THR 226 N 3.06 0.00 -3.82 2.92 -2.24 -1.26 -1.10 114.28 111.84 1nli n THR 226 Ca -0.12 -0.23 -0.06 0.00 -2.27 0.00 0.00 64.05 61.37 1nli n THR 226 Cb 0.52 1.30 0.00 0.00 -2.10 0.00 0.00 70.33 70.05 1nli n THR 226 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nli s ASN 227 N -0.21 -0.12 0.00 3.42 4.22 -1.26 -0.81 114.94 120.18 1nli s ASN 227 Ca 0.00 -0.72 0.29 0.00 -2.14 0.00 0.00 52.86 50.29 1nli s ASN 227 Cb 0.00 0.67 1.32 0.00 1.28 0.00 0.00 41.25 44.52 1nli s ASN 227 CO 0.00 -1.27 1.93 1.33 -2.04 0.00 0.00 177.10 177.05 1nli n VAL 228 N -0.52 0.00 1.75 3.54 0.24 -0.39 -2.74 118.33 120.21 1nli n VAL 228 Ca -0.06 -0.02 0.15 0.00 -2.04 0.00 0.00 64.34 62.38 1nli n VAL 228 Cb 0.60 -0.32 0.82 0.00 -1.47 0.00 0.00 33.84 33.46 1nli n VAL 228 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1nli n ASP 229 N -1.23 0.26 -4.76 -1.34 8.00 -1.26 -4.13 116.55 112.08 1nli n ASP 229 Ca 0.13 -0.85 -0.39 0.00 0.71 0.00 0.00 54.79 54.38 1nli n ASP 229 Cb 0.27 -0.06 0.01 0.00 -0.02 0.00 0.00 41.12 41.32 1nli n ASP 229 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nli s ALA 230 N -2.17 3.12 0.41 2.24 0.00 -1.11 -4.81 121.76 119.45 1nli s ALA 230 Ca 0.41 1.23 0.13 0.00 0.00 0.00 0.00 51.96 53.72 1nli s ALA 230 Cb 0.21 -3.50 0.96 0.00 0.00 0.00 0.00 23.12 20.80 1nli s ALA 230 CO 0.40 -0.94 1.93 0.78 0.00 0.00 0.00 175.76 177.92 1nli h GLY 231 N 2.29 0.79 2.00 0.00 0.00 -1.92 0.37 103.07 106.61 1nli h GLY 231 Ca -0.50 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 1nli h GLY 231 CO 0.61 0.10 -0.06 -0.24 0.00 0.00 0.00 176.54 176.95 1nli h VAL 232 N 0.51 0.97 0.06 4.60 3.04 -1.92 -0.34 116.25 123.17 1nli h VAL 232 Ca 0.35 -0.21 -0.27 0.00 -1.01 0.00 0.00 66.70 65.56 1nli h VAL 232 Cb 0.66 1.12 -0.02 0.00 -2.01 0.00 0.00 31.29 31.04 1nli h VAL 232 CO -0.12 0.06 -1.43 0.58 -1.01 0.00 0.00 177.57 175.65 1nli h VAL 233 N 0.00 0.90 -0.20 1.51 2.07 -1.27 -1.51 116.25 117.75 1nli h VAL 233 Ca -0.00 -2.27 -0.11 0.00 0.82 0.00 0.00 66.70 65.14 1nli h VAL 233 Cb 0.11 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1nli h VAL 233 CO 0.01 0.55 -0.35 0.71 0.02 0.00 0.00 177.57 178.51 1nli h THR 234 N -0.59 1.29 0.00 2.57 1.35 -1.09 -3.40 112.91 113.04 1nli h THR 234 Ca -0.35 -1.45 -0.16 0.00 -0.55 0.00 0.00 66.41 63.90 1nli h THR 234 Cb 1.57 1.53 -0.35 0.00 -1.73 0.00 0.00 68.15 69.16 1nli h THR 234 CO -0.07 0.45 -0.98 -1.20 -0.25 0.00 0.00 175.52 173.47 1nli n SER 235 N -4.06 0.89 0.00 5.36 7.64 -0.14 -4.98 113.62 118.33 1nli n SER 235 Ca -0.01 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 57.87 1nli n SER 235 Cb 0.47 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1nli n SER 235 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1nli n ASN 236 N 0.45 0.00 -4.78 6.43 4.05 -1.22 -4.83 115.26 115.36 1nli n ASN 236 Ca 0.05 0.00 -0.41 0.00 0.45 0.00 0.00 54.58 54.67 1nli n ASN 236 Cb 1.11 0.29 -0.00 0.00 1.23 0.00 0.00 39.78 42.41 1nli n ASN 236 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1nli s ILE 237 N -0.90 2.14 0.00 -1.44 2.07 -0.57 -1.05 121.20 121.45 1nli s ILE 237 Ca 0.00 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.38 1nli s ILE 237 Cb 0.00 -3.09 0.00 0.00 0.13 0.00 0.00 42.46 39.50 1nli s ILE 237 CO 0.00 0.03 0.21 0.00 -1.91 0.00 0.00 174.94 173.27 1nli n ALA 238 N 0.38 1.94 -3.20 1.50 0.00 0.21 -4.85 120.51 116.48 1nli n ALA 238 Ca 0.02 -0.21 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 1nli n ALA 238 Cb 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 1nli n ALA 238 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nli s LEU 239 N -0.88 0.97 -0.16 0.00 1.43 -1.23 -4.11 118.68 114.70 1nli s LEU 239 Ca 0.00 0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1nli s LEU 239 Cb 0.00 1.08 -0.01 0.00 0.03 0.00 0.00 46.19 47.30 1nli s LEU 239 CO 0.00 -0.32 -0.12 -0.76 0.23 0.00 0.00 176.35 175.38 1nli s LEU 240 N -0.83 2.63 0.04 1.79 1.43 0.45 -4.94 118.68 119.25 1nli s LEU 240 Ca -0.09 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.29 1nli s LEU 240 Cb -0.05 -1.61 -0.07 0.00 0.03 0.00 0.00 46.19 44.49 1nli s LEU 240 CO 0.02 0.08 1.60 -0.22 0.23 0.00 0.00 176.35 178.06 1nli s LEU 241 N 0.85 4.35 0.34 1.79 2.96 -1.26 -0.78 118.68 126.94 1nli s LEU 241 Ca -0.04 2.38 -0.29 0.00 -0.22 0.00 0.00 54.13 55.97 1nli s LEU 241 Cb -0.15 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 42.87 1nli s LEU 241 CO -0.00 -0.85 1.55 0.21 -1.32 0.00 0.00 176.35 175.94 1nli s ASN 242 N 2.38 6.33 0.62 3.68 2.47 -1.26 -4.55 114.94 124.61 1nli s ASN 242 Ca 0.72 3.03 0.39 0.00 0.42 0.00 0.00 52.86 57.41 1nli s ASN 242 Cb -0.37 -2.65 2.09 0.00 -1.45 0.00 0.00 41.25 38.86 1nli s ASN 242 CO 0.31 -0.91 2.28 0.08 -3.72 0.00 0.00 177.10 175.13 1nli h ARG 243 N 3.82 0.00 -0.75 0.43 0.11 -1.92 -1.13 114.38 114.94 1nli h ARG 243 Ca -0.49 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.56 1nli h ARG 243 Cb 1.23 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.29 1nli h ARG 243 CO 0.71 0.01 0.04 0.09 0.10 0.00 0.00 179.97 180.92 1nli n ASN 244 N -3.31 4.10 -2.45 0.08 3.02 -1.26 -4.16 115.26 111.28 1nli n ASN 244 Ca -0.02 -2.66 -0.00 0.00 -0.03 0.00 0.00 54.58 51.86 1nli n ASN 244 Cb 0.12 -0.63 0.05 0.00 -0.61 0.00 0.00 39.78 38.70 1nli n ASN 244 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1nli n ASN 245 N 0.32 0.71 0.00 6.41 4.05 -0.43 -4.87 115.26 121.45 1nli n ASN 245 Ca 0.20 -2.05 0.00 0.00 0.45 0.00 0.00 54.58 53.18 1nli n ASN 245 Cb 0.92 -0.17 0.00 0.00 1.23 0.00 0.00 39.78 41.76 1nli n ASN 245 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 1nli n MET 246 N -0.55 3.41 0.00 1.20 2.81 -1.25 -4.82 117.12 117.91 1nli n MET 246 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1nli n MET 246 Cb 0.87 -0.98 0.00 0.00 -0.71 0.00 0.00 33.22 32.41 1nli n MET 246 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48