#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 1.00 -0.02 1.61 0.04 -2.08 -2.66 116.94 114.83 3hsa h PHE 3 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3hsa h PHE 3 Cb 0.00 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 37.84 3hsa h PHE 3 CO 0.00 0.34 -0.13 1.28 -0.60 0.00 0.00 178.31 179.20 3hsa n LEU 4 N -4.63 2.09 -0.29 1.54 7.99 -1.26 -4.62 117.00 117.82 3hsa n LEU 4 Ca 0.20 -0.91 -0.04 0.00 -0.01 0.00 0.00 56.01 55.25 3hsa n LEU 4 Cb 0.46 0.00 0.07 0.00 -0.11 0.00 0.00 43.42 43.85 3hsa n LEU 4 CO 0.27 0.38 1.20 0.44 -1.51 0.00 0.00 177.39 178.17 3hsa h ASP 5 N 2.70 0.90 0.19 -1.43 3.32 -1.94 -2.96 116.42 117.20 3hsa h ASP 5 Ca 0.00 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3hsa h ASP 5 Cb 0.64 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3hsa h ASP 5 CO 0.00 0.65 -0.09 0.00 -1.72 0.00 0.00 179.24 178.08 3hsa h ALA 6 N 1.29 -0.26 0.00 3.45 0.00 -1.82 -2.65 119.26 119.27 3hsa h ALA 6 Ca 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hsa h ALA 6 Cb -0.11 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hsa h ALA 6 CO -0.07 -0.53 0.00 -0.11 0.00 0.00 0.00 179.25 178.55 3hsa n LEU 7 N -5.10 0.00 0.00 0.00 7.94 -1.12 -1.89 117.00 116.83 3hsa n LEU 7 Ca -0.09 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 3hsa n LEU 7 Cb 0.21 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.16 3hsa n LEU 7 CO 0.33 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.22 3hsa n GLY 9 N 0.99 0.00 0.25 -3.96 0.00 -1.00 -0.68 105.19 100.79 3hsa n GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hsa n GLY 9 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hsa h ASN 10 N 0.00 0.39 -0.20 1.61 -0.26 -1.66 -2.85 115.58 112.61 3hsa h ASN 10 Ca 0.00 -0.09 -0.03 0.00 -0.56 0.00 0.00 56.30 55.62 3hsa h ASN 10 Cb 0.00 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.14 3hsa h ASN 10 CO 0.00 0.52 0.03 0.00 -1.06 0.00 0.00 177.43 176.92 3hsa h ALA 11 N 1.52 1.51 -0.25 -0.83 0.00 -1.17 -2.71 119.26 117.33 3hsa h ALA 11 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hsa h ALA 11 Cb 0.41 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hsa h ALA 11 CO 0.02 0.36 0.00 -1.13 0.00 0.00 0.00 179.25 178.50 3hsa n SER 12 N -4.33 3.29 -4.77 0.00 3.41 -1.22 -4.95 113.62 105.05 3hsa n SER 12 Ca 0.01 -2.58 -0.39 0.00 -0.26 0.00 0.00 58.87 55.65 3hsa n SER 12 Cb 0.20 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 3hsa n SER 12 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hsa s GLU 13 N -2.04 4.30 0.01 4.33 2.12 -1.02 -4.13 118.70 122.27 3hsa s GLU 13 Ca 0.32 1.81 0.03 0.00 0.36 0.00 0.00 54.97 57.49 3hsa s GLU 13 Cb 0.23 -2.87 -0.01 0.00 0.26 0.00 0.00 34.13 31.74 3hsa s GLU 13 CO 0.10 -0.09 -0.11 0.08 -0.54 0.00 0.00 175.26 174.70 3hsa s VAL 14 N -1.34 0.85 -0.40 3.70 1.01 -1.26 -5.03 120.40 117.92 3hsa s VAL 14 Ca 0.52 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.58 3hsa s VAL 14 Cb -0.31 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 3hsa s VAL 14 CO 0.39 0.11 1.73 -0.62 0.00 0.00 0.00 175.10 176.70 3hsa s ASP 15 N -0.60 5.87 0.42 3.32 -1.08 -1.26 -4.86 116.67 118.48 3hsa s ASP 15 Ca 0.02 1.01 0.15 0.00 -0.52 0.00 0.00 52.55 53.21 3hsa s ASP 15 Cb -0.05 -2.53 0.93 0.00 -1.46 0.00 0.00 42.92 39.80 3hsa s ASP 15 CO 0.00 -1.78 1.93 -0.07 0.52 0.00 0.00 175.17 175.77 3hsa h LEU 16 N 13.87 0.00 -0.90 -1.34 3.38 -1.99 -1.82 115.31 126.51 3hsa h LEU 16 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3hsa h LEU 16 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3hsa h LEU 16 CO 1.08 0.26 0.00 0.61 0.09 0.00 0.00 178.44 180.48 3hsa n GLY 17 N -0.74 0.30 0.68 0.83 0.00 -1.26 -0.38 105.19 104.63 3hsa n GLY 17 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.29 0.00 -0.21 0.99 7.94 -0.68 -1.93 117.00 123.40 3hsa n LEU 19 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 3hsa n LEU 19 Cb 0.05 0.00 0.03 0.00 0.53 0.00 0.00 43.42 44.03 3hsa n LEU 19 CO 0.00 0.00 0.97 0.00 -1.11 0.00 0.00 177.39 177.25 3hsa h ALA 20 N 0.00 0.78 -0.76 1.96 0.00 -0.98 0.17 119.26 120.44 3hsa h ALA 20 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3hsa h ALA 20 Cb 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3hsa h ALA 20 CO 0.00 0.42 0.50 0.00 0.00 0.00 0.00 179.25 180.17 3hsa h ALA 21 N 1.08 0.97 0.10 0.00 0.00 -1.62 0.99 119.26 120.77 3hsa h ALA 21 Ca 0.20 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.80 3hsa h ALA 21 Cb 0.24 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.74 3hsa h ALA 21 CO -0.01 0.36 -1.16 0.93 0.00 0.00 0.00 179.25 179.36 3hsa h GLU 22 N 1.01 0.33 0.00 0.00 5.08 -1.71 -3.29 114.58 115.99 3hsa h GLU 22 Ca 0.28 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3hsa h GLU 22 Cb -0.09 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3hsa h GLU 22 CO -0.07 1.20 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.88 3hsa h LEU 23 N 0.13 0.00 -1.65 1.33 3.38 -0.52 -3.39 115.31 114.58 3hsa h LEU 23 Ca -0.13 -0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.03 3hsa h LEU 23 Cb 1.86 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.55 3hsa h LEU 23 CO 0.20 0.02 0.60 0.77 0.09 0.00 0.00 178.44 180.11 3hsa h SER 24 N 0.00 0.28 -0.00 -0.43 4.64 -0.88 -0.95 113.55 116.22 3hsa h SER 24 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3hsa h SER 24 Cb 0.85 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3hsa h SER 24 CO 0.00 0.11 0.01 -0.65 -0.87 0.00 0.00 176.83 175.43 3hsa h PRO 25 N 0.28 0.00 -0.19 4.77 0.11 -1.83 -2.46 132.00 132.68 3hsa h PRO 25 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 3hsa h PRO 25 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3hsa h PRO 25 CO -0.13 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 178.10 3hsa n ILE 26 N -3.29 0.58 -3.63 4.15 -5.35 -0.37 -5.00 119.36 106.45 3hsa n ILE 26 Ca -0.03 -0.79 -0.33 0.00 -0.27 0.00 0.00 62.75 61.34 3hsa n ILE 26 Cb 0.08 0.80 -0.05 0.00 -1.74 0.00 0.00 39.64 38.73 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 -0.94 4.29 0.67 7.28 1.43 -0.93 -5.07 118.68 125.41 3hsa s LEU 27 Ca 0.17 0.67 -0.17 0.00 -1.03 0.00 0.00 54.13 53.78 3hsa s LEU 27 Cb 0.10 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 43.11 3hsa s LEU 27 CO 0.14 0.09 1.22 -0.83 0.23 0.00 0.00 176.35 177.20 3hsa s GLY 28 N -2.19 2.57 0.47 -3.19 0.00 -1.26 -4.92 107.32 98.80 3hsa s GLY 28 Ca 0.38 0.98 0.23 0.00 0.00 0.00 0.00 44.72 46.31 3hsa s GLY 28 CO 0.22 1.38 1.97 -0.55 0.00 0.00 0.00 173.10 176.12 3hsa h ASP 29 N 0.25 0.00 -0.79 1.64 3.32 -1.97 -2.18 116.42 116.69 3hsa h ASP 29 Ca -0.49 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.14 3hsa h ASP 29 Cb 1.30 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.61 3hsa h ASP 29 CO 0.52 0.20 0.53 0.59 -1.72 0.00 0.00 179.24 179.36 3hsa n ASN 30 N -3.71 3.68 -4.22 6.45 3.02 -1.26 -4.93 115.26 114.28 3hsa n ASN 30 Ca -0.01 -3.28 -0.29 0.00 -0.03 0.00 0.00 54.58 50.96 3hsa n ASN 30 Cb 0.31 -0.78 -0.16 0.00 -0.61 0.00 0.00 39.78 38.54 3hsa n ASN 30 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3hsa s GLU 31 N -2.63 2.13 0.04 3.52 2.12 -0.82 -5.01 118.70 118.04 3hsa s GLU 31 Ca 0.45 -0.79 0.05 0.00 0.36 0.00 0.00 54.97 55.05 3hsa s GLU 31 Cb 0.38 -1.87 -0.02 0.00 0.26 0.00 0.00 34.13 32.88 3hsa s GLU 31 CO 0.09 0.37 -0.15 -1.83 -0.54 0.00 0.00 175.26 173.19 3hsa s GLU 32 N -0.20 0.99 0.27 4.30 -1.05 -1.26 -4.83 118.70 116.92 3hsa s GLU 32 Ca -0.00 -0.78 -0.30 0.00 -0.15 0.00 0.00 54.97 53.74 3hsa s GLU 32 Cb -0.12 -1.01 -0.09 0.00 -0.44 0.00 0.00 34.13 32.47 3hsa s GLU 32 CO 0.02 0.25 1.06 -0.51 0.95 0.00 0.00 175.26 177.03 3hsa s LEU 33 N -1.15 4.57 -0.00 1.83 1.43 -1.26 -1.12 118.68 122.98 3hsa s LEU 33 Ca 0.02 2.20 -0.00 0.00 -1.03 0.00 0.00 54.13 55.32 3hsa s LEU 33 Cb -0.08 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.52 3hsa s LEU 33 CO 0.01 -0.07 -0.00 0.00 0.23 0.00 0.00 176.35 176.52 3hsa n GLN 34 N 1.27 0.00 -3.83 1.70 6.02 0.46 -4.90 117.38 118.09 3hsa n GLN 34 Ca -0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.88 3hsa n GLN 34 Cb 0.45 -0.79 -0.08 0.00 1.02 0.00 0.00 30.24 30.85 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 -5.42 1.28 -0.06 1.08 1.43 -0.82 -5.02 118.68 111.14 3hsa s LEU 35 Ca -0.00 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.52 3hsa s LEU 35 Cb 0.00 1.09 0.02 0.00 0.03 0.00 0.00 46.19 47.33 3hsa s LEU 35 CO 0.00 -0.66 0.26 0.00 0.23 0.00 0.00 176.35 176.19 3hsa s ALA 36 N -3.20 -0.65 0.00 4.21 0.00 -1.26 0.04 121.76 120.90 3hsa s ALA 36 Ca -0.00 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.43 3hsa s ALA 36 Cb 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.95 3hsa s ALA 36 CO -0.07 -0.19 0.00 0.66 0.00 0.00 0.00 175.76 176.16 3hsa n TYR 37 N 2.14 0.00 -0.24 0.00 4.02 0.10 -4.40 117.16 118.79 3hsa n TYR 37 Ca -0.17 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.68 3hsa n TYR 37 Cb 0.57 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.91 3hsa n TYR 37 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 3hsa h VAL 40 N 0.10 0.15 0.00 -0.72 -1.51 -1.98 0.53 116.25 112.82 3hsa h VAL 40 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3hsa h VAL 40 Cb 0.00 0.15 0.00 0.00 -2.13 0.00 0.00 31.29 29.31 3hsa h VAL 40 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 177.57 174.23 3hsa n ARG 41 N -5.45 1.35 -3.90 5.19 1.85 -1.26 -5.06 116.66 109.38 3hsa n ARG 41 Ca 0.06 -0.95 -0.11 0.00 -1.00 0.00 0.00 57.85 55.85 3hsa n ARG 41 Cb 0.37 -0.73 -0.13 0.00 -1.05 0.00 0.00 32.46 30.92 3hsa n ARG 41 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3hsa s ASP 42 N -0.45 0.06 -0.29 2.89 1.11 -1.26 -4.67 116.67 114.05 3hsa s ASP 42 Ca 0.00 -0.13 -0.09 0.00 0.18 0.00 0.00 52.55 52.51 3hsa s ASP 42 Cb 0.00 0.07 -0.02 0.00 1.07 0.00 0.00 42.92 44.05 3hsa s ASP 42 CO 0.00 -0.12 0.13 -0.22 1.18 0.00 0.00 175.17 176.14 3hsa s LEU 43 N -0.51 3.89 -0.32 1.23 2.96 0.12 -4.98 118.68 121.07 3hsa s LEU 43 Ca -0.06 -0.40 -0.16 0.00 -0.22 0.00 0.00 54.13 53.29 3hsa s LEU 43 Cb -0.04 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 3hsa s LEU 43 CO -0.00 -0.14 0.40 -0.36 -1.32 0.00 0.00 176.35 174.93 3hsa s PHE 44 N 1.62 3.21 -0.32 5.38 0.40 0.18 -0.67 117.98 127.78 3hsa s PHE 44 Ca 0.05 0.14 -0.05 0.00 -0.60 0.00 0.00 56.93 56.47 3hsa s PHE 44 Cb -0.16 -2.70 0.04 0.00 0.51 0.00 0.00 43.02 40.71 3hsa s PHE 44 CO 0.06 -0.40 0.06 0.08 0.70 0.00 0.00 175.22 175.72 3hsa s VAL 45 N 2.12 3.50 -0.42 -0.44 1.01 -0.15 -0.73 120.40 125.29 3hsa s VAL 45 Ca 0.14 -1.20 -0.21 0.00 0.00 0.00 0.00 61.98 60.72 3hsa s VAL 45 Cb -0.16 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.26 3hsa s VAL 45 CO 0.12 -0.14 0.63 -0.36 0.00 0.00 0.00 175.10 175.35 3hsa s PHE 46 N 1.35 3.08 0.63 5.22 0.40 0.11 -0.88 117.98 127.89 3hsa s PHE 46 Ca -0.03 0.00 0.05 0.00 -0.60 0.00 0.00 56.93 56.36 3hsa s PHE 46 Cb -0.19 -3.30 0.10 0.00 0.51 0.00 0.00 43.02 40.14 3hsa s PHE 46 CO 0.01 -0.82 0.87 0.95 0.70 0.00 0.00 175.22 176.93 3hsa s THR 47 N 2.78 2.18 -1.40 0.64 -4.23 -1.26 -0.41 115.64 113.94 3hsa s THR 47 Ca 0.22 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 3hsa s THR 47 Cb -0.14 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.34 3hsa s THR 47 CO 0.18 0.00 0.28 -1.54 -0.54 0.00 0.00 174.62 173.01 3hsa n SER 48 N -2.48 0.24 -4.67 3.99 3.41 -0.28 -4.78 113.62 109.05 3hsa n SER 48 Ca 0.15 -0.81 -0.30 0.00 -0.26 0.00 0.00 58.87 57.65 3hsa n SER 48 Cb 0.61 -0.12 0.16 0.00 -0.26 0.00 0.00 64.21 64.60 3hsa n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hsa s ARG 50 N -1.40 1.02 -0.17 4.33 1.70 -1.26 -5.02 118.95 118.15 3hsa s ARG 50 Ca 0.00 1.30 -0.23 0.00 -0.47 0.00 0.00 55.73 56.33 3hsa s ARG 50 Cb 0.00 -1.75 -0.02 0.00 -0.57 0.00 0.00 34.95 32.61 3hsa s ARG 50 CO 0.00 -2.54 0.71 -1.17 -1.08 0.00 0.00 175.30 171.22 3hsa s LEU 51 N -6.51 4.18 -0.33 -1.89 2.96 -0.55 -4.51 118.68 112.03 3hsa s LEU 51 Ca 0.65 1.01 -0.08 0.00 -0.22 0.00 0.00 54.13 55.49 3hsa s LEU 51 Cb -0.21 -3.04 0.02 0.00 0.50 0.00 0.00 46.19 43.45 3hsa s LEU 51 CO 0.58 -0.30 0.13 -0.63 -1.32 0.00 0.00 176.35 174.82 3hsa s ILE 52 N 1.85 4.20 -0.30 6.68 1.01 -0.06 0.26 121.20 134.85 3hsa s ILE 52 Ca 0.33 -0.78 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 3hsa s ILE 52 Cb -0.16 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 3hsa s ILE 52 CO 0.12 -0.06 0.26 -0.22 0.00 0.00 0.00 174.94 175.04 3hsa s LEU 53 N 1.51 4.19 -0.16 2.97 2.96 0.48 -0.98 118.68 129.65 3hsa s LEU 53 Ca 0.02 -0.07 -0.00 0.00 -0.22 0.00 0.00 54.13 53.85 3hsa s LEU 53 Cb -0.18 -2.21 -0.00 0.00 0.50 0.00 0.00 46.19 44.30 3hsa s LEU 53 CO 0.04 -0.15 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.15 3hsa s ILE 54 N 1.84 2.76 0.00 6.68 1.01 0.16 -0.90 121.20 132.75 3hsa s ILE 54 Ca 0.09 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3hsa s ILE 54 Cb -0.16 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.13 3hsa s ILE 54 CO 0.11 0.51 0.00 -0.90 0.00 0.00 0.00 174.94 174.65 3hsa n ASP 55 N 4.14 0.00 0.00 3.58 5.75 -0.81 -0.70 116.55 128.51 3hsa n ASP 55 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.59 3hsa n ASP 55 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 3hsa n ASP 55 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hsa n GLN 57 N 0.00 -2.72 0.00 0.11 6.02 -1.26 -0.33 117.38 119.20 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 -0.32 1.83 0.35 1.08 0.00 -1.26 -3.59 105.19 103.28 3hsa n GLY 58 Ca 0.00 -1.88 0.14 0.00 0.00 0.00 0.00 46.02 44.29 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 0.85 0.00 1.61 -1.51 -2.09 -2.12 116.25 112.99 3hsa h VAL 59 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 3hsa h VAL 59 Cb 0.00 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 29.83 3hsa h VAL 59 CO 0.00 0.03 -0.02 0.35 -1.23 0.00 0.00 177.57 176.70 3hsa n THR 60 N -4.45 1.73 -1.91 7.19 -2.24 -1.26 -5.34 114.28 108.00 3hsa n THR 60 Ca 0.07 -2.07 0.00 0.00 -2.27 0.00 0.00 64.05 59.79 3hsa n THR 60 Cb 0.41 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 3hsa n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hsa n GLY 61 N -1.30 -5.17 2.88 3.38 0.00 -0.80 -5.09 105.19 99.08 3hsa n GLY 61 Ca 0.14 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.45 0.45 -0.19 1.61 1.01 -1.26 -4.63 120.40 116.94 3hsa s VAL 64 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 3hsa s VAL 64 Cb 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 3hsa s VAL 64 CO 0.00 0.20 0.03 -0.55 0.00 0.00 0.00 175.10 174.78 3hsa s SER 65 N 0.87 5.19 -0.50 3.32 0.15 0.56 -4.93 113.70 118.37 3hsa s SER 65 Ca -0.11 -0.07 -0.04 0.00 0.70 0.00 0.00 55.95 56.43 3hsa s SER 65 Cb -0.14 -1.88 0.13 0.00 -1.71 0.00 0.00 66.02 62.42 3hsa s SER 65 CO -0.00 0.12 0.32 -0.31 1.20 0.00 0.00 173.24 174.57 3hsa s TYR 66 N 0.66 3.51 -0.38 3.44 1.51 -1.26 -1.92 117.35 122.91 3hsa s TYR 66 Ca 0.01 -2.42 -0.13 0.00 -1.01 0.00 0.00 57.07 53.52 3hsa s TYR 66 Cb -0.14 -3.28 0.01 0.00 -0.11 0.00 0.00 41.96 38.45 3hsa s TYR 66 CO 0.02 -0.93 0.26 -1.58 -1.11 0.00 0.00 175.55 172.20 3hsa s HIS 67 N 0.75 3.24 -0.28 2.71 2.46 -0.08 -4.93 115.29 119.17 3hsa s HIS 67 Ca 0.11 -0.62 -0.20 0.00 0.47 0.00 0.00 55.06 54.83 3hsa s HIS 67 Cb -0.22 -2.52 -0.02 0.00 -0.13 0.00 0.00 32.58 29.69 3hsa s HIS 67 CO -0.04 -0.56 0.60 -1.12 -2.47 0.00 0.00 174.74 171.16 3hsa s SER 68 N 1.65 6.51 -0.41 9.88 0.01 -1.26 -0.39 113.70 129.69 3hsa s SER 68 Ca 0.04 0.55 0.04 0.00 1.31 0.00 0.00 55.95 57.90 3hsa s SER 68 Cb -0.19 -2.32 0.11 0.00 0.21 0.00 0.00 66.02 63.84 3hsa s SER 68 CO 0.09 -0.39 0.13 -0.63 0.41 0.00 0.00 173.24 172.85 3hsa s ILE 69 N 2.49 2.36 0.38 1.44 1.01 0.14 -4.99 121.20 124.03 3hsa s ILE 69 Ca 0.24 -2.71 -0.26 0.00 0.00 0.00 0.00 60.65 57.93 3hsa s ILE 69 Cb -0.15 -2.70 -0.11 0.00 0.01 0.00 0.00 42.46 39.50 3hsa s ILE 69 CO 0.10 -0.68 1.17 -2.65 0.00 0.00 0.00 174.94 172.88 3hsa n PRO 70 N 3.81 1.76 -0.10 2.79 -0.02 -1.26 -1.49 135.00 140.50 3hsa n PRO 70 Ca 0.04 0.62 -0.01 0.00 -2.02 0.00 0.00 63.50 62.14 3hsa n PRO 70 Cb 0.38 -2.21 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 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 -0.06 0.00 0.00 6.00 4.01 -1.26 -3.85 117.16 121.99 3hsa n TYR 71 Ca 0.07 -0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3hsa n TYR 71 Cb 0.37 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 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 2.39 0.00 -2.60 -0.72 0.00 -1.26 -4.77 120.51 113.55 3hsa n ALA 73 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 3hsa n ALA 73 Cb 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.51 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 4.55 -0.16 0.00 1.01 -1.25 -0.47 121.20 124.88 3hsa s ILE 74 Ca 0.00 1.11 -0.17 0.00 0.00 0.00 0.00 60.65 61.59 3hsa s ILE 74 Cb 0.00 -4.36 -0.23 0.00 0.01 0.00 0.00 42.46 37.88 3hsa s ILE 74 CO 0.00 -0.61 0.35 0.58 0.00 0.00 0.00 174.94 175.26 3hsa h VAL 75 N 5.89 0.90 -3.22 2.92 2.07 -0.78 -3.48 116.25 120.55 3hsa h VAL 75 Ca -0.23 -2.28 0.02 0.00 0.82 0.00 0.00 66.70 65.03 3hsa h VAL 75 Cb 1.08 2.45 -0.06 0.00 -1.52 0.00 0.00 31.29 33.24 3hsa h VAL 75 CO 1.00 0.56 0.12 -1.38 0.02 0.00 0.00 177.57 177.88 3hsa s HIS 76 N -2.43 0.02 0.04 1.57 -3.43 -1.23 -5.04 115.29 104.78 3hsa s HIS 76 Ca -0.25 -0.46 -0.23 0.00 -0.80 0.00 0.00 55.06 53.32 3hsa s HIS 76 Cb 0.05 0.54 0.05 0.00 -1.43 0.00 0.00 32.58 31.80 3hsa s HIS 76 CO 0.68 -1.18 0.54 -0.59 -2.00 0.00 0.00 174.74 172.19 3hsa s PHE 77 N -3.85 -0.46 -0.03 0.38 -0.71 -1.26 -1.56 117.98 110.49 3hsa s PHE 77 Ca 0.15 0.56 -0.04 0.00 -1.04 0.00 0.00 56.93 56.56 3hsa s PHE 77 Cb -0.04 0.36 0.01 0.00 -1.21 0.00 0.00 43.02 42.13 3hsa s PHE 77 CO 0.08 -0.64 0.09 -1.14 -1.34 0.00 0.00 175.22 172.27 3hsa s GLN 78 N -2.28 0.17 -0.05 1.99 0.74 -1.26 -5.02 119.66 113.95 3hsa s GLN 78 Ca -0.06 0.02 0.04 0.00 0.05 0.00 0.00 55.36 55.41 3hsa s GLN 78 Cb -0.01 0.08 -0.00 0.00 1.10 0.00 0.00 33.01 34.18 3hsa s GLN 78 CO -0.00 -0.03 -0.17 0.08 -0.55 0.00 0.00 175.29 174.62 3hsa s VAL 79 N -0.22 1.47 0.02 1.34 1.01 -1.26 -4.31 120.40 118.43 3hsa s VAL 79 Ca -0.03 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.25 3hsa s VAL 79 Cb -0.02 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 3hsa s VAL 79 CO 0.00 0.42 -0.08 -0.70 0.00 0.00 0.00 175.10 174.75 3hsa s GLU 80 N 0.09 0.57 0.11 2.72 2.12 -0.17 -4.96 118.70 119.17 3hsa s GLU 80 Ca -0.05 -0.46 -0.36 0.00 0.36 0.00 0.00 54.97 54.46 3hsa s GLU 80 Cb -0.12 -0.48 -0.16 0.00 0.26 0.00 0.00 34.13 33.62 3hsa s GLU 80 CO 0.03 0.12 1.34 2.41 -0.54 0.00 0.00 175.26 178.62 3hsa n THR 81 N 2.33 0.15 -4.24 -1.70 -1.04 -1.26 -0.16 114.28 108.36 3hsa n THR 81 Ca -0.17 -0.04 -0.14 0.00 -2.04 0.00 0.00 64.05 61.66 3hsa n THR 81 Cb 0.56 -0.92 -0.10 0.00 -1.82 0.00 0.00 70.33 68.06 3hsa n THR 81 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hsa s ALA 82 N 0.42 1.40 0.00 2.41 0.00 -0.48 -4.70 121.76 120.82 3hsa s ALA 82 Ca 0.82 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 51.01 3hsa s ALA 82 Cb -0.90 1.32 0.00 0.00 0.00 0.00 0.00 23.12 23.54 3hsa s ALA 82 CO 0.47 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 176.07 3hsa n GLY 83 N -0.37 -0.88 0.37 0.00 0.00 -1.26 -1.72 105.19 101.34 3hsa n GLY 83 Ca 0.02 -1.42 0.13 0.00 0.00 0.00 0.00 46.02 44.75 3hsa n GLY 83 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hsa h THR 84 N 0.00 0.79 -0.01 2.61 2.02 -2.01 -0.47 112.91 115.85 3hsa h THR 84 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3hsa h THR 84 Cb 0.00 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 3hsa h THR 84 CO 0.00 0.12 -0.11 0.49 0.37 0.00 0.00 175.52 176.39 3hsa n PHE 85 N -4.59 0.00 -2.49 3.16 3.72 -1.26 -5.17 117.46 110.83 3hsa n PHE 85 Ca 0.19 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.53 3hsa n PHE 85 Cb 0.52 -0.08 0.01 0.00 -0.94 0.00 0.00 39.48 38.99 3hsa n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3hsa n ASP 86 N -0.41 -6.46 0.00 4.37 8.00 -0.19 -5.12 116.55 116.74 3hsa n ASP 86 Ca 0.16 0.49 0.00 0.00 0.71 0.00 0.00 54.79 56.15 3hsa n ASP 86 Cb 0.32 -4.28 0.00 0.00 -0.02 0.00 0.00 41.12 37.14 3hsa n ASP 86 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hsa n ASP 88 N -0.24 0.00 -4.08 -2.24 8.00 -0.70 -4.73 116.55 112.57 3hsa n ASP 88 Ca 0.08 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.50 3hsa n ASP 88 Cb 0.30 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.30 3hsa n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hsa s ALA 89 N 0.00 0.49 -0.12 2.24 0.00 -0.42 -1.38 121.76 122.57 3hsa s ALA 89 Ca 0.00 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 50.84 3hsa s ALA 89 Cb 0.00 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.38 3hsa s ALA 89 CO 0.00 -0.33 -0.16 -2.00 0.00 0.00 0.00 175.76 173.27 3hsa s GLU 90 N -3.60 2.31 0.19 0.00 2.12 0.78 -1.50 118.70 119.00 3hsa s GLU 90 Ca 0.04 -0.59 0.02 0.00 0.36 0.00 0.00 54.97 54.81 3hsa s GLU 90 Cb 0.05 -1.98 0.03 0.00 0.26 0.00 0.00 34.13 32.49 3hsa s GLU 90 CO -0.09 -0.09 0.26 -0.11 -0.54 0.00 0.00 175.26 174.69 3hsa n LEU 91 N 4.31 0.00 0.00 2.70 7.94 -1.26 -1.00 117.00 129.68 3hsa n LEU 91 Ca -0.19 -0.72 0.00 0.00 -1.11 0.00 0.00 56.01 53.99 3hsa n LEU 91 Cb 0.51 -0.14 0.00 0.00 0.53 0.00 0.00 43.42 44.32 3hsa n LEU 91 CO 0.24 -0.58 0.00 0.18 -1.11 0.00 0.00 177.39 176.11 3hsa n LEU 93 N 0.00 0.00 -4.59 -1.96 4.77 -0.24 -4.21 117.00 110.77 3hsa n LEU 93 Ca 0.05 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.63 3hsa n LEU 93 Cb 0.18 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.19 3hsa n LEU 93 CO 0.12 0.00 0.19 0.26 -1.33 0.00 0.00 177.39 176.63 3hsa s TRP 94 N 0.00 3.23 -0.09 -1.77 0.51 -0.60 -1.05 118.94 119.16 3hsa s TRP 94 Ca 0.00 0.41 -0.11 0.00 -2.12 0.00 0.00 56.10 54.28 3hsa s TRP 94 Cb 0.00 -2.75 -0.05 0.00 -0.81 0.00 0.00 33.47 29.86 3hsa s TRP 94 CO 0.00 -0.36 0.27 0.42 -0.51 0.00 0.00 176.95 176.76 3hsa s ILE 95 N 2.27 5.29 -0.01 2.03 1.01 -1.26 -0.04 121.20 130.50 3hsa s ILE 95 Ca 0.19 0.50 -0.38 0.00 0.00 0.00 0.00 60.65 60.96 3hsa s ILE 95 Cb -0.16 -3.56 -0.17 0.00 0.01 0.00 0.00 42.46 38.58 3hsa s ILE 95 CO 0.11 0.55 1.39 -0.24 0.00 0.00 0.00 174.94 176.74 3hsa n SER 96 N 2.32 1.54 0.00 3.58 2.88 0.38 -1.18 113.62 123.15 3hsa n SER 96 Ca -0.16 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 3hsa n SER 96 Cb 0.53 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 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 2.73 1.35 3.28 0.46 0.00 -1.26 -5.04 105.19 106.72 3hsa n GLY 97 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.61 3.29 0.30 1.61 -1.52 -0.32 -4.99 119.66 117.42 3hsa s GLN 98 Ca 0.00 -0.68 0.13 0.00 -1.95 0.00 0.00 55.36 52.86 3hsa s GLN 98 Cb 0.00 -2.83 0.43 0.00 -0.22 0.00 0.00 33.01 30.39 3hsa s GLN 98 CO 0.00 -0.12 1.63 1.25 -0.25 0.00 0.00 175.29 177.80 3hsa h HIS 99 N 7.79 0.00 -2.78 0.91 -0.00 -1.96 -3.40 115.15 115.70 3hsa h HIS 99 Ca -0.39 0.00 -0.65 0.00 -0.00 0.00 0.00 60.37 59.33 3hsa h HIS 99 Cb 1.17 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 28.52 3hsa h HIS 99 CO 0.54 0.54 -0.41 -1.21 -0.00 0.00 0.00 177.93 177.39 3hsa s GLU 100 N -3.54 3.55 0.49 5.26 0.41 -1.26 -5.08 118.70 118.54 3hsa s GLU 100 Ca -0.00 -0.05 -0.18 0.00 -0.41 0.00 0.00 54.97 54.32 3hsa s GLU 100 Cb 0.12 -3.15 -0.08 0.00 -1.78 0.00 0.00 34.13 29.23 3hsa s GLU 100 CO 0.74 0.72 0.99 -1.25 -0.49 0.00 0.00 175.26 175.96 3hsa s PRO 101 N -1.33 3.96 0.04 0.39 0.04 -1.26 -4.71 135.00 132.13 3hsa s PRO 101 Ca 0.21 1.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.01 3hsa s PRO 101 Cb -0.13 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 3hsa s PRO 101 CO 0.10 -0.26 1.19 -0.51 0.04 0.00 0.00 177.00 177.56 3hsa s LEU 102 N -3.79 4.36 0.31 -3.56 1.43 -0.22 -4.86 118.68 112.34 3hsa s LEU 102 Ca 0.61 1.97 0.09 0.00 -1.03 0.00 0.00 54.13 55.77 3hsa s LEU 102 Cb -0.11 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 3hsa s LEU 102 CO 0.25 -0.48 0.03 -0.69 0.23 0.00 0.00 176.35 175.69 3hsa s VAL 103 N 1.24 2.96 -0.02 -1.59 1.01 -1.26 -1.07 120.40 121.67 3hsa s VAL 103 Ca 0.58 -1.91 0.01 0.00 0.00 0.00 0.00 61.98 60.66 3hsa s VAL 103 Cb -0.28 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.29 3hsa s VAL 103 CO 0.28 -0.26 -0.03 -0.70 0.00 0.00 0.00 175.10 174.39 3hsa s GLU 105 N -3.72 0.52 0.00 2.72 2.12 -1.26 -4.98 118.70 114.09 3hsa s GLU 105 Ca 0.34 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.59 3hsa s GLU 105 Cb -0.03 -0.56 0.00 0.00 0.26 0.00 0.00 34.13 33.80 3hsa s GLU 105 CO 0.20 -0.02 0.00 1.28 -0.54 0.00 0.00 175.26 176.18 3hsa n LEU 106 N 3.66 0.00 -4.48 2.70 4.77 -0.56 -4.40 117.00 118.68 3hsa n LEU 106 Ca -0.21 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.44 3hsa n LEU 106 Cb 0.53 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.50 3hsa n LEU 106 CO 0.24 0.00 -0.45 -0.60 -1.33 0.00 0.00 177.39 175.25 3hsa s ARG 108 N -1.21 2.47 0.00 3.23 3.52 -1.26 -1.30 118.95 124.41 3hsa s ARG 108 Ca 0.00 -0.72 0.00 0.00 -0.13 0.00 0.00 55.73 54.88 3hsa s ARG 108 Cb 0.00 -2.37 0.00 0.00 -1.56 0.00 0.00 34.95 31.02 3hsa s ARG 108 CO 0.00 0.62 0.00 0.41 -0.81 0.00 0.00 175.30 175.52 3hsa n GLY 109 N 2.20 1.74 3.98 8.12 0.00 -1.26 -5.04 105.19 114.92 3hsa n GLY 109 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 3hsa n GLY 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hsa s THR 110 N -1.90 2.22 -1.41 2.61 -4.23 -1.26 -4.65 115.64 107.03 3hsa s THR 110 Ca 0.00 -1.16 -0.15 0.00 -1.18 0.00 0.00 61.69 59.20 3hsa s THR 110 Cb 0.00 -2.38 0.04 0.00 1.34 0.00 0.00 72.50 71.50 3hsa s THR 110 CO 0.00 0.00 2.13 -0.67 -0.54 0.00 0.00 174.62 175.54 3hsa n ASP 111 N -1.98 4.02 -0.02 3.99 -0.08 -1.26 -4.68 116.55 116.53 3hsa n ASP 111 Ca 0.09 -2.85 -0.16 0.00 -1.51 0.00 0.00 54.79 50.36 3hsa n ASP 111 Cb 0.62 -1.66 -0.08 0.00 2.34 0.00 0.00 41.12 42.33 3hsa n ASP 111 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3hsa h VAL 112 N 4.33 1.36 -0.60 5.18 2.07 -1.97 -1.72 116.25 124.89 3hsa h VAL 112 Ca 0.54 -1.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.09 3hsa h VAL 112 Cb 0.69 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 3hsa h VAL 112 CO 1.81 0.56 -0.03 0.58 0.02 0.00 0.00 177.57 180.52 3hsa h VAL 113 N 0.17 1.27 -0.66 2.57 2.07 -2.01 -2.96 116.25 116.70 3hsa h VAL 113 Ca -0.04 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.26 3hsa h VAL 113 Cb 1.20 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 3hsa h VAL 113 CO 0.11 0.43 0.27 1.23 0.02 0.00 0.00 177.57 179.63 3hsa h GLY 114 N 0.98 1.05 1.76 2.17 0.00 -1.91 -2.91 103.07 104.21 3hsa h GLY 114 Ca 0.17 -0.56 -0.10 0.00 0.00 0.00 0.00 47.33 46.84 3hsa h GLY 114 CO 0.04 0.53 -0.34 1.19 0.00 0.00 0.00 176.54 177.95 3hsa h ILE 115 N 0.92 1.28 0.00 2.60 2.10 -1.28 0.71 117.51 123.85 3hsa h ILE 115 Ca 0.22 -1.36 0.00 0.00 1.08 0.00 0.00 64.86 64.80 3hsa h ILE 115 Cb 0.19 1.56 0.00 0.00 -1.09 0.00 0.00 36.82 37.48 3hsa h ILE 115 CO -0.02 0.41 0.00 0.00 -1.08 0.00 0.00 178.15 177.46 3hsa n GLN 116 N -4.08 0.33 0.00 2.19 6.02 -1.10 -1.44 117.38 119.30 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 0.43 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.45 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 0.56 0.00 -0.10 5.09 -1.04 0.24 -1.81 114.28 117.22 3hsa n THR 118 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 3hsa n THR 118 Cb 0.12 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.62 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 1.12 -0.53 12.58 2.04 -1.51 -1.77 117.51 129.44 3hsa h ILE 119 Ca 0.00 -0.29 0.06 0.00 1.00 0.00 0.00 64.86 65.63 3hsa h ILE 119 Cb 0.00 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 3hsa h ILE 119 CO 0.00 0.12 0.24 0.00 0.00 0.00 0.00 178.15 178.51 3hsa h ALA 120 N 1.07 0.68 -0.41 1.87 0.00 -1.63 -0.10 119.26 120.75 3hsa h ALA 120 Ca 0.12 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3hsa h ALA 120 Cb 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3hsa h ALA 120 CO -0.02 -0.12 0.19 -0.09 0.00 0.00 0.00 179.25 179.21 3hsa h ARG 121 N 0.47 0.38 0.14 0.00 2.43 -1.69 -1.81 114.38 114.29 3hsa h ARG 121 Ca 0.25 -0.02 -0.29 0.00 -0.81 0.00 0.00 59.98 59.10 3hsa h ARG 121 Cb 0.20 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3hsa h ARG 121 CO -0.20 0.25 -1.36 1.88 -1.51 0.00 0.00 179.97 179.03 3hsa h TYR 122 N 0.39 0.53 0.10 2.20 0.05 -1.19 -2.33 116.97 116.71 3hsa h TYR 122 Ca 0.18 -0.38 -0.26 0.00 0.05 0.00 0.00 58.73 58.31 3hsa h TYR 122 Cb 0.10 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.82 3hsa h TYR 122 CO -0.11 1.34 -1.17 0.00 -1.05 0.00 0.00 178.16 177.17 3hsa h ALA 123 N 0.51 0.17 0.00 3.88 0.00 -1.02 -3.32 119.26 119.48 3hsa h ALA 123 Ca -0.18 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 53.87 3hsa h ALA 123 Cb 2.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.78 3hsa h ALA 123 CO 0.20 0.98 -1.13 1.28 0.00 0.00 0.00 179.25 180.57 3hsa n LEU 124 N -3.54 0.63 0.00 0.00 4.77 -0.68 -5.02 117.00 113.15 3hsa n LEU 124 Ca -0.07 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 3hsa n LEU 124 Cb 0.99 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 3hsa n LEU 124 CO 0.53 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.30