#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsa h PHE 3 N 0.00 0.82 -0.74 1.61 3.57 -1.97 -1.83 116.94 118.40 3hsa h PHE 3 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3hsa h PHE 3 Cb 0.00 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.44 3hsa h PHE 3 CO 0.00 0.43 0.41 -0.07 -2.23 0.00 0.00 178.31 176.85 3hsa h LEU 4 N 0.83 0.91 -1.28 0.59 3.38 -2.03 -0.32 115.31 117.39 3hsa h LEU 4 Ca 0.31 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.25 3hsa h LEU 4 Cb 0.11 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3hsa h LEU 4 CO -0.15 0.73 0.51 0.44 0.09 0.00 0.00 178.44 180.06 3hsa h ASP 5 N 1.03 0.79 0.65 -0.43 3.32 -1.78 -3.07 116.42 116.92 3hsa h ASP 5 Ca 0.26 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 3hsa h ASP 5 Cb 0.01 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.39 3hsa h ASP 5 CO -0.04 0.53 -0.31 0.00 -1.72 0.00 0.00 179.24 177.70 3hsa h ALA 6 N 1.56 -0.88 -1.65 3.45 0.00 -0.41 -3.39 119.26 117.93 3hsa h ALA 6 Ca 0.32 -0.21 -0.49 0.00 0.00 0.00 0.00 54.91 54.52 3hsa h ALA 6 Cb 0.11 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hsa h ALA 6 CO -0.10 -0.89 1.56 -0.51 0.00 0.00 0.00 179.25 179.32 3hsa s LEU 7 N -9.69 3.40 -0.50 0.00 1.43 -0.46 -3.89 118.68 108.96 3hsa s LEU 7 Ca -0.15 1.09 -0.25 0.00 -1.03 0.00 0.00 54.13 53.79 3hsa s LEU 7 Cb 0.02 -2.69 -0.14 0.00 0.03 0.00 0.00 46.19 43.42 3hsa s LEU 7 CO 0.51 -2.64 1.61 0.61 0.23 0.00 0.00 176.35 176.67 3hsa n GLY 9 N 5.91 -0.21 5.00 -3.19 0.00 -1.26 -4.76 105.19 106.67 3hsa n GLY 9 Ca 0.33 0.76 0.00 0.00 0.00 0.00 0.00 46.02 47.11 3hsa n GLY 9 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hsa n ASN 10 N 6.00 0.00 -3.99 1.61 0.23 -1.26 -4.94 115.26 112.92 3hsa n ASN 10 Ca 0.40 0.00 -0.55 0.00 -0.53 0.00 0.00 54.58 53.91 3hsa n ASN 10 Cb -0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 3hsa n ASN 10 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hsa n ALA 11 N 0.00 -2.24 -1.77 -2.53 0.00 -1.25 -4.86 120.51 107.86 3hsa n ALA 11 Ca 0.00 0.48 -0.39 0.00 0.00 0.00 0.00 53.44 53.53 3hsa n ALA 11 Cb 0.00 -1.59 -0.03 0.00 0.00 0.00 0.00 19.45 17.83 3hsa n ALA 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hsa s SER 12 N 1.25 6.81 0.37 0.00 0.15 -1.26 -4.43 113.70 116.60 3hsa s SER 12 Ca 0.84 2.32 0.19 0.00 0.70 0.00 0.00 55.95 60.00 3hsa s SER 12 Cb -1.19 -2.62 0.67 0.00 -1.71 0.00 0.00 66.02 61.17 3hsa s SER 12 CO 0.60 -0.47 1.73 -0.08 1.20 0.00 0.00 173.24 176.22 3hsa h GLU 13 N 3.06 0.00 -5.93 5.44 4.81 -1.89 -3.43 114.58 116.65 3hsa h GLU 13 Ca -0.48 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.15 3hsa h GLU 13 Cb 1.22 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.54 3hsa h GLU 13 CO 0.64 0.38 -0.19 0.08 -0.73 0.00 0.00 179.01 179.18 3hsa s VAL 14 N -3.60 5.07 -0.70 0.32 1.01 -1.26 -4.98 120.40 116.26 3hsa s VAL 14 Ca 0.00 0.85 -0.26 0.00 0.00 0.00 0.00 61.98 62.57 3hsa s VAL 14 Cb 0.11 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.76 3hsa s VAL 14 CO 0.69 0.52 1.62 -0.62 0.00 0.00 0.00 175.10 177.30 3hsa s ASP 15 N -0.64 5.67 0.17 3.32 -1.08 -1.26 -4.86 116.67 117.98 3hsa s ASP 15 Ca 0.24 -0.11 -0.07 0.00 -0.52 0.00 0.00 52.55 52.08 3hsa s ASP 15 Cb -0.16 -2.55 0.04 0.00 -1.46 0.00 0.00 42.92 38.79 3hsa s ASP 15 CO 0.12 -2.15 1.49 -0.07 0.52 0.00 0.00 175.17 175.08 3hsa h LEU 16 N 14.99 0.82 -0.77 -1.34 3.38 -1.95 0.01 115.31 130.45 3hsa h LEU 16 Ca -0.23 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.33 3hsa h LEU 16 Cb 1.10 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3hsa h LEU 16 CO 1.25 1.16 0.00 0.61 0.09 0.00 0.00 178.44 181.55 3hsa n GLY 17 N 0.21 0.09 0.36 0.83 0.00 -1.26 -0.64 105.19 104.78 3hsa n GLY 17 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3hsa n GLY 17 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hsa n LEU 19 N 0.23 0.00 -0.25 0.99 7.94 -0.01 -2.03 117.00 123.87 3hsa n LEU 19 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 3hsa n LEU 19 Cb 0.02 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.08 3hsa n LEU 19 CO 0.00 0.00 1.12 0.00 -1.11 0.00 0.00 177.39 177.40 3hsa h ALA 20 N 0.00 0.98 -0.73 1.96 0.00 -1.13 -0.94 119.26 119.39 3hsa h ALA 20 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3hsa h ALA 20 Cb 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3hsa h ALA 20 CO 0.00 0.10 0.37 0.00 0.00 0.00 0.00 179.25 179.73 3hsa h ALA 21 N 1.37 0.94 -0.23 0.00 0.00 -1.67 -0.99 119.26 118.67 3hsa h ALA 21 Ca 0.32 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 3hsa h ALA 21 Cb 0.19 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3hsa h ALA 21 CO -0.18 0.48 -0.57 0.93 0.00 0.00 0.00 179.25 179.91 3hsa h GLU 22 N 1.02 0.73 0.00 0.00 5.08 -1.72 -3.07 114.58 116.61 3hsa h GLU 22 Ca 0.25 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3hsa h GLU 22 Cb 0.09 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3hsa h GLU 22 CO -0.04 1.10 -0.29 1.28 -1.00 0.00 0.00 179.01 180.06 3hsa n LEU 23 N -3.98 0.61 -0.32 1.33 4.77 -0.40 -4.44 117.00 114.57 3hsa n LEU 23 Ca -0.04 0.37 0.22 0.00 -0.03 0.00 0.00 56.01 56.53 3hsa n LEU 23 Cb 0.63 -0.29 0.43 0.00 -2.33 0.00 0.00 43.42 41.86 3hsa n LEU 23 CO 0.49 -0.07 0.99 -1.28 -1.33 0.00 0.00 177.39 176.19 3hsa h SER 24 N 0.00 0.12 0.42 -1.43 0.87 -1.08 -0.72 113.55 111.74 3hsa h SER 24 Ca 0.00 0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 3hsa h SER 24 Cb 0.67 0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.92 3hsa h SER 24 CO 0.00 -0.28 -0.02 -0.65 -0.53 0.00 0.00 176.83 175.34 3hsa h PRO 25 N 0.13 0.00 -0.41 2.24 0.11 -1.82 -2.63 132.00 129.62 3hsa h PRO 25 Ca 0.70 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.81 3hsa h PRO 25 Cb 1.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.74 3hsa h PRO 25 CO -0.74 0.02 0.00 0.44 -0.21 0.00 0.00 178.00 177.52 3hsa n ILE 26 N -3.22 0.78 -3.74 4.15 -5.35 -0.28 -4.96 119.36 106.74 3hsa n ILE 26 Ca -0.02 -0.89 -0.33 0.00 -0.27 0.00 0.00 62.75 61.24 3hsa n ILE 26 Cb 0.18 0.69 -0.05 0.00 -1.74 0.00 0.00 39.64 38.72 3hsa n ILE 26 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3hsa s LEU 27 N -1.09 4.34 0.59 7.28 1.43 -0.99 -5.08 118.68 125.15 3hsa s LEU 27 Ca 0.31 0.55 -0.18 0.00 -1.03 0.00 0.00 54.13 53.78 3hsa s LEU 27 Cb 0.17 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 3hsa s LEU 27 CO 0.23 0.18 1.16 -0.83 0.23 0.00 0.00 176.35 177.32 3hsa s GLY 28 N -2.03 2.59 0.56 -3.19 0.00 -1.26 -4.91 107.32 99.08 3hsa s GLY 28 Ca 0.33 0.86 0.31 0.00 0.00 0.00 0.00 44.72 46.22 3hsa s GLY 28 CO 0.20 1.23 2.16 -0.55 0.00 0.00 0.00 173.10 176.14 3hsa h ASP 29 N 0.84 0.00 -0.52 1.64 3.32 -1.98 0.38 116.42 120.09 3hsa h ASP 29 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3hsa h ASP 29 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3hsa h ASP 29 CO 0.55 0.06 0.00 -0.46 -1.72 0.00 0.00 179.24 177.68 3hsa n ASN 30 N -3.57 5.15 -4.26 6.45 6.94 -1.26 -4.97 115.26 119.74 3hsa n ASN 30 Ca -0.02 -2.79 -0.30 0.00 -0.02 0.00 0.00 54.58 51.44 3hsa n ASN 30 Cb 0.18 -0.66 -0.16 0.00 -2.36 0.00 0.00 39.78 36.78 3hsa n ASN 30 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 3hsa s GLU 31 N -2.50 2.28 -0.03 -3.83 2.12 0.12 -5.03 118.70 111.83 3hsa s GLU 31 Ca 0.48 -0.87 0.06 0.00 0.36 0.00 0.00 54.97 55.00 3hsa s GLU 31 Cb 0.36 -2.03 -0.01 0.00 0.26 0.00 0.00 34.13 32.72 3hsa s GLU 31 CO 0.15 0.43 -0.20 -1.21 -0.54 0.00 0.00 175.26 173.88 3hsa s GLU 32 N -0.30 1.89 0.19 4.30 0.41 -1.26 -4.69 118.70 119.23 3hsa s GLU 32 Ca 0.01 -0.73 -0.30 0.00 -0.41 0.00 0.00 54.97 53.54 3hsa s GLU 32 Cb -0.12 -1.71 -0.09 0.00 -1.78 0.00 0.00 34.13 30.43 3hsa s GLU 32 CO 0.02 0.37 1.30 -1.17 -0.49 0.00 0.00 175.26 175.29 3hsa s LEU 33 N -0.25 4.42 0.00 1.80 2.96 -1.26 -0.08 118.68 126.26 3hsa s LEU 33 Ca 0.02 2.37 0.00 0.00 -0.22 0.00 0.00 54.13 56.30 3hsa s LEU 33 Cb -0.10 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.98 3hsa s LEU 33 CO 0.01 -0.52 0.00 0.00 -1.32 0.00 0.00 176.35 174.52 3hsa n GLN 34 N 2.71 0.00 -3.75 1.98 6.02 0.16 -4.89 117.38 119.62 3hsa n GLN 34 Ca 0.06 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.94 3hsa n GLN 34 Cb 0.43 -0.74 -0.07 0.00 1.02 0.00 0.00 30.24 30.88 3hsa n GLN 34 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hsa s LEU 35 N -5.47 0.86 -0.13 1.08 1.43 -0.91 -5.03 118.68 110.51 3hsa s LEU 35 Ca 0.00 -0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 52.71 3hsa s LEU 35 Cb 0.00 1.38 0.04 0.00 0.03 0.00 0.00 46.19 47.65 3hsa s LEU 35 CO 0.00 -0.64 0.45 0.00 0.23 0.00 0.00 176.35 176.40 3hsa s ALA 36 N -2.69 -1.13 0.00 4.21 0.00 -1.26 -0.95 121.76 119.94 3hsa s ALA 36 Ca -0.04 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.02 3hsa s ALA 36 Cb -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.61 3hsa s ALA 36 CO -0.04 -0.24 0.00 0.66 0.00 0.00 0.00 175.76 176.13 3hsa n TYR 37 N 2.29 0.00 0.00 0.00 4.02 -0.24 -4.47 117.16 118.76 3hsa n TYR 37 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 3hsa n TYR 37 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.89 3hsa n TYR 37 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3hsa n VAL 40 N 0.00 0.00 1.07 -0.72 0.31 -1.26 -0.84 118.33 116.89 3hsa n VAL 40 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 3hsa n VAL 40 Cb 0.00 0.00 0.40 0.00 -0.91 0.00 0.00 33.84 33.33 3hsa n VAL 40 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3hsa n ARG 41 N 0.00 0.16 -2.78 5.55 3.00 -1.26 -4.96 116.66 116.38 3hsa n ARG 41 Ca 0.00 -0.07 -0.21 0.00 -0.01 0.00 0.00 57.85 57.56 3hsa n ARG 41 Cb 0.00 -1.50 0.03 0.00 0.00 0.00 0.00 32.46 30.99 3hsa n ARG 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3hsa s ASP 42 N -2.89 5.43 -0.01 0.55 1.01 -1.26 -5.00 116.67 114.50 3hsa s ASP 42 Ca 0.15 -0.05 0.02 0.00 0.71 0.00 0.00 52.55 53.38 3hsa s ASP 42 Cb 0.18 -0.93 -0.00 0.00 1.01 0.00 0.00 42.92 43.18 3hsa s ASP 42 CO 0.61 -1.00 -0.08 -0.76 0.21 0.00 0.00 175.17 174.16 3hsa s LEU 43 N -4.64 1.94 -0.42 1.23 1.43 -0.34 -4.98 118.68 112.90 3hsa s LEU 43 Ca 0.55 -0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 53.40 3hsa s LEU 43 Cb -0.10 -0.41 0.06 0.00 0.03 0.00 0.00 46.19 45.77 3hsa s LEU 43 CO 0.37 0.08 0.28 -0.36 0.23 0.00 0.00 176.35 176.95 3hsa s PHE 44 N -0.07 3.29 -0.24 0.29 0.40 -0.02 -1.02 117.98 120.60 3hsa s PHE 44 Ca 0.01 -1.21 -0.08 0.00 -0.60 0.00 0.00 56.93 55.05 3hsa s PHE 44 Cb -0.04 -2.85 -0.03 0.00 0.51 0.00 0.00 43.02 40.61 3hsa s PHE 44 CO -0.00 -0.77 0.08 0.08 0.70 0.00 0.00 175.22 175.31 3hsa s VAL 45 N 1.52 4.55 -0.28 -0.44 1.01 0.37 -1.08 120.40 126.04 3hsa s VAL 45 Ca 0.03 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.82 3hsa s VAL 45 Cb -0.22 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 3hsa s VAL 45 CO 0.05 0.35 0.15 -0.36 0.00 0.00 0.00 175.10 175.28 3hsa s PHE 46 N 1.38 3.17 0.54 5.22 0.40 -0.13 -0.13 117.98 128.42 3hsa s PHE 46 Ca 0.05 -0.17 0.08 0.00 -0.60 0.00 0.00 56.93 56.29 3hsa s PHE 46 Cb -0.15 -2.34 0.08 0.00 0.51 0.00 0.00 43.02 41.12 3hsa s PHE 46 CO 0.04 -0.28 0.63 0.25 0.70 0.00 0.00 175.22 176.57 3hsa n THR 47 N 5.01 0.00 0.48 0.64 -2.24 -1.26 -0.66 114.28 116.25 3hsa n THR 47 Ca -0.15 -1.89 0.00 0.00 -2.27 0.00 0.00 64.05 59.74 3hsa n THR 47 Cb 0.51 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 3hsa n THR 47 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hsa n SER 48 N -2.20 0.23 -4.50 3.42 3.41 0.88 -4.75 113.62 110.12 3hsa n SER 48 Ca 0.10 -0.72 -0.32 0.00 -0.26 0.00 0.00 58.87 57.67 3hsa n SER 48 Cb 0.57 -0.12 0.15 0.00 -0.26 0.00 0.00 64.21 64.56 3hsa n SER 48 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3hsa n ARG 50 N 0.03 -0.57 -3.32 4.33 1.85 -1.26 -4.99 116.66 112.72 3hsa n ARG 50 Ca 0.00 -0.12 -0.38 0.00 -1.00 0.00 0.00 57.85 56.35 3hsa n ARG 50 Cb 0.06 -2.05 -0.06 0.00 -1.05 0.00 0.00 32.46 29.36 3hsa n ARG 50 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3hsa s LEU 51 N -3.39 4.30 -0.25 2.89 2.96 0.01 -4.47 118.68 120.73 3hsa s LEU 51 Ca 0.61 0.84 -0.00 0.00 -0.22 0.00 0.00 54.13 55.36 3hsa s LEU 51 Cb -0.21 -2.70 0.04 0.00 0.50 0.00 0.00 46.19 43.82 3hsa s LEU 51 CO 0.64 0.03 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.99 3hsa s ILE 52 N 0.43 2.58 -0.23 6.68 1.01 0.81 -0.19 121.20 132.28 3hsa s ILE 52 Ca 0.26 -1.22 -0.18 0.00 0.00 0.00 0.00 60.65 59.52 3hsa s ILE 52 Cb -0.15 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 3hsa s ILE 52 CO 0.11 0.15 0.50 -0.76 0.00 0.00 0.00 174.94 174.94 3hsa s LEU 53 N 1.25 4.09 -0.28 2.97 1.43 0.70 -0.48 118.68 128.36 3hsa s LEU 53 Ca -0.02 0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 53.63 3hsa s LEU 53 Cb -0.17 -2.66 0.04 0.00 0.03 0.00 0.00 46.19 43.43 3hsa s LEU 53 CO -0.06 -0.23 -0.02 -0.63 0.23 0.00 0.00 176.35 175.65 3hsa s ILE 54 N 1.97 2.97 0.00 -0.59 1.01 -0.19 -0.33 121.20 126.04 3hsa s ILE 54 Ca 0.22 -1.24 0.00 0.00 0.00 0.00 0.00 60.65 59.63 3hsa s ILE 54 Cb -0.15 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.68 3hsa s ILE 54 CO 0.09 0.01 0.00 0.47 0.00 0.00 0.00 174.94 175.51 3hsa n ASP 55 N 4.64 1.68 0.00 3.58 9.92 -0.59 -1.20 116.55 134.59 3hsa n ASP 55 Ca -0.14 -0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.05 3hsa n ASP 55 Cb 0.45 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 3hsa n ASP 55 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hsa n GLN 57 N 0.00 0.00 0.00 -1.24 6.02 -1.26 -1.03 117.38 119.86 3hsa n GLN 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3hsa n GLN 57 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3hsa n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hsa n GLY 58 N -0.12 -0.88 0.28 1.08 0.00 -1.26 -3.15 105.19 101.14 3hsa n GLY 58 Ca 0.00 -1.64 0.03 0.00 0.00 0.00 0.00 46.02 44.41 3hsa n GLY 58 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3hsa h VAL 59 N 0.00 0.80 0.00 1.61 -1.51 -2.11 -2.17 116.25 112.86 3hsa h VAL 59 Ca 0.00 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 3hsa h VAL 59 Cb 0.00 0.17 0.00 0.00 -2.13 0.00 0.00 31.29 29.33 3hsa h VAL 59 CO 0.00 0.11 -0.14 0.71 -1.23 0.00 0.00 177.57 177.02 3hsa h THR 60 N 0.58 0.00 -2.46 7.19 1.35 -2.10 -3.57 112.91 113.90 3hsa h THR 60 Ca 0.38 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 3hsa h THR 60 Cb 0.45 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3hsa h THR 60 CO -0.31 0.00 -0.43 0.61 -0.25 0.00 0.00 175.52 175.14 3hsa n GLY 61 N 1.21 -4.42 3.64 5.82 0.00 -0.82 -5.05 105.19 105.57 3hsa n GLY 61 Ca 0.04 -0.54 -0.05 0.00 0.00 0.00 0.00 46.02 45.47 3hsa n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hsa s VAL 64 N -0.35 0.00 -0.09 1.61 1.01 -1.26 -4.46 120.40 116.86 3hsa s VAL 64 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3hsa s VAL 64 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3hsa s VAL 64 CO 0.00 0.00 -0.10 -0.94 0.00 0.00 0.00 175.10 174.06 3hsa s SER 65 N 1.49 4.32 -0.44 3.32 1.04 -0.20 -4.97 113.70 118.26 3hsa s SER 65 Ca -0.09 -0.16 -0.06 0.00 0.48 0.00 0.00 55.95 56.12 3hsa s SER 65 Cb -0.04 -1.26 0.11 0.00 0.10 0.00 0.00 66.02 64.93 3hsa s SER 65 CO -0.18 0.28 0.27 -0.31 0.98 0.00 0.00 173.24 174.29 3hsa s TYR 66 N -0.35 3.52 -0.33 5.02 1.51 -1.26 -1.55 117.35 123.92 3hsa s TYR 66 Ca 0.04 -2.17 -0.10 0.00 -1.01 0.00 0.00 57.07 53.83 3hsa s TYR 66 Cb -0.12 -3.35 0.00 0.00 -0.11 0.00 0.00 41.96 38.38 3hsa s TYR 66 CO 0.02 -0.98 0.16 -1.58 -1.11 0.00 0.00 175.55 172.06 3hsa s HIS 67 N 1.24 3.20 -0.21 2.71 2.46 0.56 -4.93 115.29 120.30 3hsa s HIS 67 Ca 0.07 -0.72 -0.11 0.00 0.47 0.00 0.00 55.06 54.77 3hsa s HIS 67 Cb -0.24 -2.37 -0.05 0.00 -0.13 0.00 0.00 32.58 29.79 3hsa s HIS 67 CO -0.03 -0.52 0.19 -1.12 -2.47 0.00 0.00 174.74 170.79 3hsa s SER 68 N 1.59 6.22 -0.26 9.88 0.01 -1.26 -0.22 113.70 129.66 3hsa s SER 68 Ca 0.04 0.24 0.03 0.00 1.31 0.00 0.00 55.95 57.56 3hsa s SER 68 Cb -0.18 -2.12 0.06 0.00 0.21 0.00 0.00 66.02 63.99 3hsa s SER 68 CO 0.06 0.09 -0.09 -0.63 0.41 0.00 0.00 173.24 173.08 3hsa s ILE 69 N 0.80 2.03 0.24 1.44 1.09 0.73 -4.99 121.20 122.55 3hsa s ILE 69 Ca 0.10 -1.57 -0.31 0.00 -1.10 0.00 0.00 60.65 57.77 3hsa s ILE 69 Cb -0.13 -2.19 -0.12 0.00 -1.06 0.00 0.00 42.46 38.96 3hsa s ILE 69 CO 0.03 -0.06 1.63 -2.65 -0.10 0.00 0.00 174.94 173.78 3hsa n PRO 70 N 4.48 2.61 0.00 2.79 -0.02 -1.26 -0.81 135.00 142.79 3hsa n PRO 70 Ca -0.13 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3hsa n PRO 70 Cb 0.42 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 3hsa n PRO 70 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hsa n TYR 71 N 2.97 0.00 0.00 6.00 4.01 -1.26 -3.24 117.16 125.65 3hsa n TYR 71 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 3hsa n TYR 71 Cb 0.35 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 3hsa n TYR 71 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hsa n ALA 73 N 1.70 0.00 -2.61 -0.72 0.00 -1.26 -4.79 120.51 112.83 3hsa n ALA 73 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3hsa n ALA 73 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3hsa n ALA 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hsa s ILE 74 N 0.00 4.49 -0.16 0.00 1.01 -1.20 -0.36 121.20 124.98 3hsa s ILE 74 Ca 0.00 1.26 -0.18 0.00 0.00 0.00 0.00 60.65 61.73 3hsa s ILE 74 Cb 0.00 -4.41 -0.23 0.00 0.01 0.00 0.00 42.46 37.84 3hsa s ILE 74 CO 0.00 -0.64 0.36 0.58 0.00 0.00 0.00 174.94 175.25 3hsa h VAL 75 N 5.90 0.96 -3.12 2.92 2.07 -0.80 -3.48 116.25 120.71 3hsa h VAL 75 Ca -0.23 -2.27 0.03 0.00 0.82 0.00 0.00 66.70 65.05 3hsa h VAL 75 Cb 1.07 2.48 -0.08 0.00 -1.52 0.00 0.00 31.29 33.24 3hsa h VAL 75 CO 1.02 0.53 0.16 -1.38 0.02 0.00 0.00 177.57 177.91 3hsa s HIS 76 N -2.41 -0.18 0.09 1.57 -3.43 -1.20 -5.03 115.29 104.70 3hsa s HIS 76 Ca -0.25 -0.20 -0.19 0.00 -0.80 0.00 0.00 55.06 53.61 3hsa s HIS 76 Cb 0.05 0.58 0.04 0.00 -1.43 0.00 0.00 32.58 31.82 3hsa s HIS 76 CO 0.67 -1.09 0.46 -0.59 -2.00 0.00 0.00 174.74 172.19 3hsa s PHE 77 N -3.89 -0.33 -0.07 0.38 -0.71 -1.26 -1.31 117.98 110.79 3hsa s PHE 77 Ca 0.10 0.19 -0.14 0.00 -1.04 0.00 0.00 56.93 56.04 3hsa s PHE 77 Cb -0.04 0.31 0.03 0.00 -1.21 0.00 0.00 43.02 42.12 3hsa s PHE 77 CO 0.02 -0.67 0.34 -1.14 -1.34 0.00 0.00 175.22 172.42 3hsa s GLN 78 N -3.10 0.56 -0.15 1.99 0.74 -1.26 -5.02 119.66 113.43 3hsa s GLN 78 Ca -0.02 0.13 0.02 0.00 0.05 0.00 0.00 55.36 55.55 3hsa s GLN 78 Cb 0.00 0.26 0.01 0.00 1.10 0.00 0.00 33.01 34.38 3hsa s GLN 78 CO -0.07 -0.13 -0.22 0.08 -0.55 0.00 0.00 175.29 174.41 3hsa s VAL 79 N -0.63 2.06 -0.23 1.34 1.01 -1.26 -4.25 120.40 118.44 3hsa s VAL 79 Ca -0.07 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 60.88 3hsa s VAL 79 Cb -0.04 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 3hsa s VAL 79 CO 0.03 0.55 0.00 -0.70 0.00 0.00 0.00 175.10 174.98 3hsa s GLU 80 N 0.89 3.48 -0.01 2.72 2.12 -0.18 -4.98 118.70 122.75 3hsa s GLU 80 Ca -0.05 -0.57 -0.09 0.00 0.36 0.00 0.00 54.97 54.62 3hsa s GLU 80 Cb -0.15 -3.14 0.01 0.00 0.26 0.00 0.00 34.13 31.11 3hsa s GLU 80 CO -0.04 -0.20 0.19 -0.08 -0.54 0.00 0.00 175.26 174.60 3hsa s THR 81 N 1.53 0.07 -1.14 -1.70 -1.32 -1.26 -0.64 115.64 111.18 3hsa s THR 81 Ca 0.06 -0.58 0.17 0.00 -1.21 0.00 0.00 61.69 60.14 3hsa s THR 81 Cb -0.15 -0.47 0.61 0.00 -1.51 0.00 0.00 72.50 70.98 3hsa s THR 81 CO -0.01 -0.32 1.52 0.00 -2.21 0.00 0.00 174.62 173.61 3hsa n ALA 82 N 1.53 2.76 -0.72 11.08 0.00 -1.26 -5.07 120.51 128.84 3hsa n ALA 82 Ca -0.22 -1.54 0.00 0.00 0.00 0.00 0.00 53.44 51.69 3hsa n ALA 82 Cb 0.56 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.16 3hsa n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hsa n GLY 83 N 0.92 2.66 1.28 0.00 0.00 -1.26 -2.24 105.19 106.55 3hsa n GLY 83 Ca 0.22 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 46.04 3hsa n GLY 83 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hsa n THR 84 N 0.00 1.25 -0.76 2.61 -2.24 -1.26 -4.87 114.28 109.01 3hsa n THR 84 Ca 0.00 -0.91 -0.30 0.00 -2.27 0.00 0.00 64.05 60.57 3hsa n THR 84 Cb 0.00 0.19 0.19 0.00 -2.10 0.00 0.00 70.33 68.61 3hsa n THR 84 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3hsa s PHE 85 N -1.57 1.69 -1.14 4.78 0.40 -0.95 -5.19 117.98 116.00 3hsa s PHE 85 Ca 0.42 1.44 0.00 0.00 -0.60 0.00 0.00 56.93 58.19 3hsa s PHE 85 Cb 0.25 -3.20 0.00 0.00 0.51 0.00 0.00 43.02 40.58 3hsa s PHE 85 CO 0.23 -3.10 0.65 -3.47 0.70 0.00 0.00 175.22 170.23 3hsa n ASP 86 N -4.40 0.00 -4.63 1.36 -0.08 -1.26 -4.91 116.55 102.63 3hsa n ASP 86 Ca 0.07 0.20 -0.23 0.00 -1.51 0.00 0.00 54.79 53.32 3hsa n ASP 86 Cb 0.54 -0.20 -0.08 0.00 2.34 0.00 0.00 41.12 43.72 3hsa n ASP 86 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 3hsa s ASP 88 N -2.29 4.43 0.45 1.67 1.01 -1.26 -4.88 116.67 115.81 3hsa s ASP 88 Ca 0.00 -0.71 0.08 0.00 0.71 0.00 0.00 52.55 52.64 3hsa s ASP 88 Cb 0.00 -0.77 0.02 0.00 1.01 0.00 0.00 42.92 43.18 3hsa s ASP 88 CO 0.00 -0.02 0.59 0.00 0.21 0.00 0.00 175.17 175.96 3hsa s ALA 89 N -2.36 4.52 -0.01 5.23 0.00 -0.48 -4.60 121.76 124.06 3hsa s ALA 89 Ca 0.32 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.49 3hsa s ALA 89 Cb -0.06 -1.51 0.02 0.00 0.00 0.00 0.00 23.12 21.57 3hsa s ALA 89 CO 0.19 -0.40 0.02 -2.00 0.00 0.00 0.00 175.76 173.57 3hsa s GLU 90 N -4.39 0.00 0.02 0.00 2.12 0.19 -0.59 118.70 116.04 3hsa s GLU 90 Ca 0.55 0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.99 3hsa s GLU 90 Cb -0.08 -0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.15 3hsa s GLU 90 CO 0.33 -0.10 0.02 -0.11 -0.54 0.00 0.00 175.26 174.87 3hsa n LEU 91 N 3.72 0.00 -3.23 2.70 7.94 -1.26 -1.01 117.00 125.86 3hsa n LEU 91 Ca -0.21 -0.07 0.03 0.00 -1.11 0.00 0.00 56.01 54.65 3hsa n LEU 91 Cb 0.54 -0.01 -0.04 0.00 0.53 0.00 0.00 43.42 44.44 3hsa n LEU 91 CO 0.24 -0.49 0.86 -0.76 -1.11 0.00 0.00 177.39 176.13 3hsa s LEU 93 N 0.00 -0.16 -0.15 -1.96 1.43 -0.07 -4.24 118.68 113.53 3hsa s LEU 93 Ca 0.02 0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 53.25 3hsa s LEU 93 Cb -0.00 1.19 -0.05 0.00 0.03 0.00 0.00 46.19 47.36 3hsa s LEU 93 CO 0.01 -0.03 0.17 0.26 0.23 0.00 0.00 176.35 176.99 3hsa s TRP 94 N 2.10 3.52 -0.04 0.29 0.51 -0.43 -0.39 118.94 124.51 3hsa s TRP 94 Ca -0.00 0.49 0.06 0.00 -2.12 0.00 0.00 56.10 54.53 3hsa s TRP 94 Cb -0.02 -2.10 -0.02 0.00 -0.81 0.00 0.00 33.47 30.53 3hsa s TRP 94 CO -0.16 0.50 -0.23 0.42 -0.51 0.00 0.00 176.95 176.97 3hsa s ILE 95 N -0.32 2.31 0.08 2.03 1.01 -1.26 -0.06 121.20 124.98 3hsa s ILE 95 Ca 0.13 -1.00 -0.36 0.00 0.00 0.00 0.00 60.65 59.42 3hsa s ILE 95 Cb -0.12 -1.84 -0.16 0.00 0.01 0.00 0.00 42.46 40.36 3hsa s ILE 95 CO 0.02 0.58 1.46 -0.24 0.00 0.00 0.00 174.94 176.76 3hsa n SER 96 N 2.54 2.20 -1.86 3.58 2.88 0.51 -1.64 113.62 121.83 3hsa n SER 96 Ca -0.17 1.10 -0.18 0.00 -1.33 0.00 0.00 58.87 58.29 3hsa n SER 96 Cb 0.51 -1.27 -0.03 0.00 -0.75 0.00 0.00 64.21 62.68 3hsa n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hsa n GLY 97 N 2.96 0.34 3.73 0.46 0.00 -1.26 -4.98 105.19 106.43 3hsa n GLY 97 Ca 0.19 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 3hsa n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hsa s GLN 98 N -4.46 2.14 -0.04 1.61 -1.52 -0.66 -5.08 119.66 111.66 3hsa s GLN 98 Ca 0.00 -2.09 -0.00 0.00 -1.95 0.00 0.00 55.36 51.31 3hsa s GLN 98 Cb 0.00 -1.77 -0.02 0.00 -0.22 0.00 0.00 33.01 31.00 3hsa s GLN 98 CO 0.00 -0.22 -0.04 1.58 -0.25 0.00 0.00 175.29 176.37 3hsa n HIS 99 N -1.22 0.00 -3.87 0.91 -0.00 -1.26 -4.87 115.22 104.91 3hsa n HIS 99 Ca -0.07 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.28 3hsa n HIS 99 Cb 0.66 -0.15 -0.06 0.00 -0.00 0.00 0.00 29.99 30.44 3hsa n HIS 99 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3hsa s GLU 100 N -2.08 3.51 0.74 1.57 0.41 -1.26 -5.06 118.70 116.52 3hsa s GLU 100 Ca -0.05 -0.14 -0.11 0.00 -0.41 0.00 0.00 54.97 54.26 3hsa s GLU 100 Cb 0.02 -3.21 0.03 0.00 -1.78 0.00 0.00 34.13 29.19 3hsa s GLU 100 CO 0.09 0.73 1.08 -1.25 -0.49 0.00 0.00 175.26 175.42 3hsa s PRO 101 N -0.89 2.55 -0.05 0.39 0.04 -1.26 -4.77 135.00 131.01 3hsa s PRO 101 Ca 0.14 1.10 -0.29 0.00 0.04 0.00 0.00 61.00 61.99 3hsa s PRO 101 Cb -0.12 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 3hsa s PRO 101 CO 0.03 -1.41 0.97 -1.17 0.04 0.00 0.00 177.00 175.46 3hsa s LEU 102 N -5.71 4.32 0.46 -3.56 2.96 0.48 -4.88 118.68 112.74 3hsa s LEU 102 Ca 0.60 1.57 0.06 0.00 -0.22 0.00 0.00 54.13 56.14 3hsa s LEU 102 Cb -0.16 -3.52 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 3hsa s LEU 102 CO 0.55 -0.32 0.17 -0.69 -1.32 0.00 0.00 176.35 174.74 3hsa s VAL 103 N 1.38 1.89 -0.03 1.68 1.01 -1.26 -0.90 120.40 124.18 3hsa s VAL 103 Ca 0.49 -1.75 0.05 0.00 0.00 0.00 0.00 61.98 60.78 3hsa s VAL 103 Cb -0.20 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 3hsa s VAL 103 CO 0.23 0.00 -0.19 -0.70 0.00 0.00 0.00 175.10 174.44 3hsa s GLU 105 N -3.96 1.74 0.49 2.72 2.12 -1.26 -5.00 118.70 115.55 3hsa s GLU 105 Ca 0.31 -0.68 0.04 0.00 0.36 0.00 0.00 54.97 55.01 3hsa s GLU 105 Cb 0.03 -1.58 -0.01 0.00 0.26 0.00 0.00 34.13 32.82 3hsa s GLU 105 CO 0.18 0.34 0.15 -0.51 -0.54 0.00 0.00 175.26 174.88 3hsa s LEU 106 N -0.23 2.62 -0.09 2.70 1.43 0.24 -4.88 118.68 120.48 3hsa s LEU 106 Ca 0.02 -1.40 -0.16 0.00 -1.03 0.00 0.00 54.13 51.56 3hsa s LEU 106 Cb -0.10 -1.02 -0.05 0.00 0.03 0.00 0.00 46.19 45.06 3hsa s LEU 106 CO 0.01 -0.83 0.40 -0.13 0.23 0.00 0.00 176.35 176.03 3hsa s ARG 108 N -3.99 4.16 0.00 1.70 1.81 -1.26 -1.38 118.95 120.00 3hsa s ARG 108 Ca 0.23 0.34 0.00 0.00 -1.72 0.00 0.00 55.73 54.58 3hsa s ARG 108 Cb 0.02 -3.36 0.00 0.00 -0.45 0.00 0.00 34.95 31.16 3hsa s ARG 108 CO 0.13 0.37 0.00 0.41 -0.68 0.00 0.00 175.30 175.54 3hsa n GLY 109 N 2.77 2.82 3.75 -3.53 0.00 -1.26 -5.06 105.19 104.68 3hsa n GLY 109 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 3hsa n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hsa s THR 110 N -2.65 2.08 -1.27 2.61 2.01 -1.26 -4.90 115.64 112.26 3hsa s THR 110 Ca 0.00 0.06 -0.18 0.00 0.31 0.00 0.00 61.69 61.88 3hsa s THR 110 Cb 0.00 -3.03 0.07 0.00 0.01 0.00 0.00 72.50 69.55 3hsa s THR 110 CO 0.00 0.00 1.70 -0.62 -0.69 0.00 0.00 174.62 175.01 3hsa s ASP 111 N -0.83 6.82 0.25 3.53 -1.08 -1.26 -4.76 116.67 119.34 3hsa s ASP 111 Ca 0.69 -2.37 0.07 0.00 -0.52 0.00 0.00 52.55 50.41 3hsa s ASP 111 Cb -0.41 -2.57 0.31 0.00 -1.46 0.00 0.00 42.92 38.78 3hsa s ASP 111 CO 0.50 -1.19 1.59 -0.37 0.52 0.00 0.00 175.17 176.22 3hsa h VAL 112 N 5.66 1.41 -0.20 1.11 -1.51 -1.98 -2.31 116.25 118.42 3hsa h VAL 112 Ca 0.42 -2.02 -0.04 0.00 -1.23 0.00 0.00 66.70 63.82 3hsa h VAL 112 Cb 0.88 2.06 -0.01 0.00 -2.13 0.00 0.00 31.29 32.09 3hsa h VAL 112 CO 1.45 0.59 -0.05 0.58 -1.23 0.00 0.00 177.57 178.91 3hsa h VAL 113 N 0.10 1.29 -0.85 7.19 2.07 -1.99 -1.23 116.25 122.82 3hsa h VAL 113 Ca -0.01 -1.03 0.03 0.00 0.82 0.00 0.00 66.70 66.51 3hsa h VAL 113 Cb 1.09 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 3hsa h VAL 113 CO 0.09 0.31 0.55 1.23 0.02 0.00 0.00 177.57 179.77 3hsa h GLY 114 N 0.11 1.23 0.93 2.17 0.00 -1.95 -2.84 103.07 102.73 3hsa h GLY 114 Ca 0.05 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 3hsa h GLY 114 CO 0.02 0.37 0.14 -2.22 0.00 0.00 0.00 176.54 174.86 3hsa h ILE 115 N 1.09 1.18 0.00 2.60 2.04 -1.29 -0.69 117.51 122.43 3hsa h ILE 115 Ca 0.33 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3hsa h ILE 115 Cb -0.02 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3hsa h ILE 115 CO -0.11 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.23 3hsa n GLN 116 N -4.72 0.06 0.00 2.37 6.02 -0.47 -0.92 117.38 119.72 3hsa n GLN 116 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3hsa n GLN 116 Cb 0.13 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.23 3hsa n GLN 116 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3hsa n THR 118 N 0.61 0.00 -0.20 5.09 -1.04 -0.27 -2.00 114.28 116.47 3hsa n THR 118 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 3hsa n THR 118 Cb 0.02 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.60 3hsa n THR 118 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3hsa h ILE 119 N 0.00 0.98 -0.82 12.58 2.04 -1.27 -2.20 117.51 128.82 3hsa h ILE 119 Ca 0.00 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 3hsa h ILE 119 Cb 0.00 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 3hsa h ILE 119 CO 0.00 0.11 0.39 0.00 0.00 0.00 0.00 178.15 178.66 3hsa h ALA 120 N 1.30 1.06 -0.52 1.87 0.00 -1.66 0.31 119.26 121.62 3hsa h ALA 120 Ca 0.26 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3hsa h ALA 120 Cb 0.14 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3hsa h ALA 120 CO -0.16 0.63 0.28 -0.09 0.00 0.00 0.00 179.25 179.91 3hsa h ARG 121 N 1.17 0.54 0.00 0.00 2.43 -1.71 -2.73 114.38 114.07 3hsa h ARG 121 Ca 0.28 -0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 59.20 3hsa h ARG 121 Cb 0.12 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 3hsa h ARG 121 CO -0.04 0.35 -1.54 0.66 -1.51 0.00 0.00 179.97 177.90 3hsa n TYR 122 N -4.85 0.99 1.18 2.20 4.01 -0.87 -3.16 117.16 116.66 3hsa n TYR 122 Ca 0.04 0.34 0.13 0.00 -0.16 0.00 0.00 57.90 58.25 3hsa n TYR 122 Cb 0.12 -1.13 0.24 0.00 -0.31 0.00 0.00 39.34 38.26 3hsa n TYR 122 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hsa n ALA 123 N -2.46 2.70 0.00 -0.72 0.00 0.10 -4.12 120.51 116.01 3hsa n ALA 123 Ca -0.13 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.73 3hsa n ALA 123 Cb 0.93 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.43 3hsa n ALA 123 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hsa n LEU 124 N 0.63 0.00 0.00 0.00 4.77 -1.03 -5.01 117.00 116.36 3hsa n LEU 124 Ca 0.15 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3hsa n LEU 124 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3hsa n LEU 124 CO 0.18 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.85