#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1orm s THR 2 N 0.00 2.70 -0.30 0.00 -4.23 -1.26 -4.89 115.64 107.65 1orm s THR 2 Ca 0.00 0.23 -0.11 0.00 -1.18 0.00 0.00 61.69 60.62 1orm s THR 2 Cb 0.00 -2.49 0.17 0.00 1.34 0.00 0.00 72.50 71.52 1orm s THR 2 CO 0.00 -0.30 0.92 -0.55 -0.54 0.00 0.00 174.62 174.15 1orm s SER 3 N -3.05 -0.72 0.02 3.99 0.15 -1.26 -4.81 113.70 108.03 1orm s SER 3 Ca 0.64 0.65 0.07 0.00 0.70 0.00 0.00 55.95 58.01 1orm s SER 3 Cb -0.20 1.68 -0.02 0.00 -1.71 0.00 0.00 66.02 65.77 1orm s SER 3 CO 0.57 -0.14 -0.21 0.42 1.20 0.00 0.00 173.24 175.08 1orm s THR 4 N 2.74 1.69 -0.13 6.45 -4.23 -1.26 -3.39 115.64 117.51 1orm s THR 4 Ca 0.02 -1.07 -0.05 0.00 -1.18 0.00 0.00 61.69 59.41 1orm s THR 4 Cb -0.10 -1.44 0.06 0.00 1.34 0.00 0.00 72.50 72.36 1orm s THR 4 CO -0.16 0.34 0.27 0.54 -0.54 0.00 0.00 174.62 175.07 1orm s VAL 5 N -0.66 -0.36 -0.24 2.29 0.11 -1.26 -4.58 120.40 115.70 1orm s VAL 5 Ca 0.08 0.26 -0.04 0.00 -2.93 0.00 0.00 61.98 59.35 1orm s VAL 5 Cb -0.09 -0.44 0.13 0.00 -1.53 0.00 0.00 36.38 34.45 1orm s VAL 5 CO 0.01 0.11 0.43 -0.89 -3.33 0.00 0.00 175.10 171.42 1orm s THR 6 N 2.24 -0.68 -5.00 5.04 2.01 -1.26 -4.31 115.64 113.68 1orm s THR 6 Ca -0.01 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1orm s THR 6 Cb -0.12 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.60 1orm s THR 6 CO -0.09 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.41 1orm n GLY 7 N 5.38 0.87 0.00 4.40 0.00 -1.24 -4.70 105.19 109.90 1orm n GLY 7 Ca -0.05 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1orm n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1orm n GLY 8 N -0.13 2.12 3.52 -0.02 0.00 -1.25 -4.45 105.19 104.98 1orm n GLY 8 Ca 0.00 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 1orm n GLY 8 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1orm n TYR 9 N 0.00 0.63 -4.25 1.61 4.02 -1.25 -4.42 117.16 113.51 1orm n TYR 9 Ca 0.00 0.07 -0.29 0.00 -0.01 0.00 0.00 57.90 57.67 1orm n TYR 9 Cb 0.00 -1.73 -0.10 0.00 -0.02 0.00 0.00 39.34 37.49 1orm n TYR 9 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1orm s ALA 10 N 7.58 2.89 -0.20 -0.72 0.00 -1.26 -2.40 121.76 127.65 1orm s ALA 10 Ca 1.17 -1.28 -0.08 0.00 0.00 0.00 0.00 51.96 51.77 1orm s ALA 10 Cb -0.61 -0.83 0.09 0.00 0.00 0.00 0.00 23.12 21.76 1orm s ALA 10 CO 0.37 0.62 0.43 -0.65 0.00 0.00 0.00 175.76 176.53 1orm s GLN 11 N -2.23 0.35 0.35 0.00 -0.21 0.21 -4.25 119.66 113.88 1orm s GLN 11 Ca 0.21 1.01 0.00 0.00 0.02 0.00 0.00 55.36 56.60 1orm s GLN 11 Cb -0.11 0.29 0.00 0.00 1.00 0.00 0.00 33.01 34.19 1orm s GLN 11 CO 0.13 -0.23 0.00 0.43 -2.12 0.00 0.00 175.29 173.50 1orm n SER 12 N 5.18 -7.15 -2.48 5.90 7.64 -1.14 -4.55 113.62 117.02 1orm n SER 12 Ca -0.11 0.69 -0.04 0.00 1.01 0.00 0.00 58.87 60.42 1orm n SER 12 Cb 0.51 -3.76 0.05 0.00 -1.01 0.00 0.00 64.21 59.99 1orm n SER 12 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1orm n ASP 13 N -3.86 -1.21 -3.64 6.43 8.00 -1.23 -4.27 116.55 116.77 1orm n ASP 13 Ca -0.02 -1.84 -0.03 0.00 0.71 0.00 0.00 54.79 53.61 1orm n ASP 13 Cb 0.55 0.79 -0.07 0.00 -0.02 0.00 0.00 41.12 42.38 1orm n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1orm s ALA 14 N 0.09 -2.23 -0.28 2.24 0.00 -1.26 -4.14 121.76 116.18 1orm s ALA 14 Ca 0.09 2.16 -0.39 0.00 0.00 0.00 0.00 51.96 53.82 1orm s ALA 14 Cb 0.20 -1.67 -0.14 0.00 0.00 0.00 0.00 23.12 21.50 1orm s ALA 14 CO -0.05 -0.33 1.86 0.94 0.00 0.00 0.00 175.76 178.18 1orm n GLN 15 N 3.50 1.25 -3.18 0.00 7.27 0.32 -3.21 117.38 123.33 1orm n GLN 15 Ca -0.18 0.44 -0.03 0.00 0.07 0.00 0.00 57.00 57.30 1orm n GLN 15 Cb 0.57 -2.23 0.00 0.00 2.41 0.00 0.00 30.24 31.00 1orm n GLN 15 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1orm n GLY 16 N 4.78 -0.32 0.61 1.69 0.00 -1.26 -4.89 105.19 105.81 1orm n GLY 16 Ca 0.30 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1orm n GLY 16 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1orm n GLN 17 N 1.12 0.00 -2.91 1.61 7.27 -1.20 -5.10 117.38 118.17 1orm n GLN 17 Ca -0.01 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 56.99 1orm n GLN 17 Cb 0.48 0.00 0.01 0.00 2.41 0.00 0.00 30.24 33.14 1orm n GLN 17 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 1orm n MET 18 N -1.71 -2.55 -3.83 3.69 1.56 -1.26 -5.04 117.12 107.98 1orm n MET 18 Ca 0.00 2.17 -0.17 0.00 -0.27 0.00 0.00 57.70 59.43 1orm n MET 18 Cb 0.00 -4.69 -0.16 0.00 2.15 0.00 0.00 33.22 30.52 1orm n MET 18 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1orm s ASN 19 N -1.95 0.43 0.52 6.12 -0.87 -1.26 -5.01 114.94 112.92 1orm s ASN 19 Ca 0.15 0.01 0.00 0.00 -1.57 0.00 0.00 52.86 51.44 1orm s ASN 19 Cb -0.03 -0.17 0.00 0.00 -0.02 0.00 0.00 41.25 41.03 1orm s ASN 19 CO 0.71 -0.13 0.00 0.29 -2.57 0.00 0.00 177.10 175.40 1orm n LYS 20 N 4.34 -0.62 0.00 -0.60 5.02 -1.26 -3.98 118.16 121.06 1orm n LYS 20 Ca -0.23 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1orm n LYS 20 Cb 0.50 -0.76 0.00 0.00 -0.02 0.00 0.00 35.03 34.76 1orm n LYS 20 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1orm n MET 21 N -1.91 0.00 0.00 1.97 2.81 -1.26 -2.89 117.12 115.83 1orm n MET 21 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1orm n MET 21 Cb 0.14 -0.43 0.00 0.00 -0.71 0.00 0.00 33.22 32.22 1orm n MET 21 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1orm n GLY 22 N 2.75 1.46 0.00 3.03 0.00 -1.26 -0.61 105.19 110.56 1orm n GLY 22 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1orm n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1orm n GLY 23 N 0.00 0.75 3.16 -0.02 0.00 -1.25 -3.51 105.19 104.32 1orm n GLY 23 Ca 0.00 -1.79 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 1orm n GLY 23 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1orm s PHE 24 N -2.70 2.98 0.37 1.61 2.19 -1.26 -4.17 117.98 117.00 1orm s PHE 24 Ca 0.00 -1.64 0.08 0.00 0.33 0.00 0.00 56.93 55.69 1orm s PHE 24 Cb 0.00 -1.99 -0.03 0.00 -1.31 0.00 0.00 43.02 39.68 1orm s PHE 24 CO 0.00 -0.76 0.24 0.54 1.83 0.00 0.00 175.22 177.07 1orm s ASN 25 N 1.29 4.87 -0.40 6.13 2.20 -1.26 -4.79 114.94 122.98 1orm s ASN 25 Ca 0.01 -0.76 0.05 0.00 -0.94 0.00 0.00 52.86 51.22 1orm s ASN 25 Cb -0.15 -0.69 0.17 0.00 -2.00 0.00 0.00 41.25 38.57 1orm s ASN 25 CO -0.08 -0.45 0.47 -1.48 -2.94 0.00 0.00 177.10 172.63 1orm s LEU 26 N -3.96 -0.45 -0.03 3.54 2.34 -1.26 -4.41 118.68 114.44 1orm s LEU 26 Ca 0.42 -1.53 -0.34 0.00 0.06 0.00 0.00 54.13 52.73 1orm s LEU 26 Cb -0.02 0.97 -0.12 0.00 -0.56 0.00 0.00 46.19 46.46 1orm s LEU 26 CO 0.25 -0.21 1.82 0.29 -1.06 0.00 0.00 176.35 177.44 1orm n LYS 27 N 4.02 2.19 -3.72 1.48 5.02 -1.26 -4.89 118.16 120.99 1orm n LYS 27 Ca 0.14 0.80 -0.38 0.00 -2.02 0.00 0.00 58.31 56.84 1orm n LYS 27 Cb 0.49 -2.63 -0.12 0.00 -0.02 0.00 0.00 35.03 32.75 1orm n LYS 27 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1orm s TYR 28 N 3.40 3.27 -0.10 2.13 6.14 -1.25 -4.48 117.35 126.45 1orm s TYR 28 Ca 0.90 -1.39 0.03 0.00 0.64 0.00 0.00 57.07 57.24 1orm s TYR 28 Cb -0.68 -2.37 0.01 0.00 0.42 0.00 0.00 41.96 39.34 1orm s TYR 28 CO 0.48 -0.73 -0.19 1.03 0.64 0.00 0.00 175.55 176.78 1orm s ARG 29 N 1.42 2.56 -0.15 4.97 1.81 -1.26 -4.37 118.95 123.92 1orm s ARG 29 Ca -0.01 -0.70 -0.01 0.00 -1.72 0.00 0.00 55.73 53.29 1orm s ARG 29 Cb -0.20 -2.03 -0.01 0.00 -0.45 0.00 0.00 34.95 32.26 1orm s ARG 29 CO 0.03 0.06 -0.11 -0.47 -0.68 0.00 0.00 175.30 174.14 1orm s TYR 30 N 0.63 2.86 0.03 -0.53 5.04 -1.26 -4.45 117.35 119.67 1orm s TYR 30 Ca -0.13 -0.71 -0.06 0.00 -2.44 0.00 0.00 57.07 53.72 1orm s TYR 30 Cb -0.16 -1.91 -0.01 0.00 0.35 0.00 0.00 41.96 40.23 1orm s TYR 30 CO 0.04 -0.29 0.11 -1.83 -1.34 0.00 0.00 175.55 172.24 1orm s GLU 31 N 0.62 0.58 0.34 4.97 -1.05 -1.26 -2.29 118.70 120.60 1orm s GLU 31 Ca -0.06 -0.68 0.04 0.00 -0.15 0.00 0.00 54.97 54.12 1orm s GLU 31 Cb -0.15 0.23 -0.03 0.00 -0.44 0.00 0.00 34.13 33.73 1orm s GLU 31 CO 0.03 -0.15 0.17 -2.00 0.95 0.00 0.00 175.26 174.26 1orm s GLU 32 N -2.37 1.72 0.03 -4.83 2.12 -1.13 -4.15 118.70 110.09 1orm s GLU 32 Ca -0.07 -2.00 -0.20 0.00 0.36 0.00 0.00 54.97 53.05 1orm s GLU 32 Cb -0.02 -0.20 -0.16 0.00 0.26 0.00 0.00 34.13 34.01 1orm s GLU 32 CO -0.03 -0.48 1.27 0.22 -0.54 0.00 0.00 175.26 175.69 1orm h ASP 33 N 2.08 0.42 -0.19 -1.70 3.58 -2.02 -3.23 116.42 115.36 1orm h ASP 33 Ca -0.33 -0.56 0.05 0.00 0.42 0.00 0.00 57.03 56.61 1orm h ASP 33 Cb 1.25 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 42.13 1orm h ASP 33 CO 0.51 0.90 -0.14 0.78 -2.88 0.00 0.00 179.24 178.41 1orm h ASN 34 N -0.05 -0.46 -3.71 2.28 2.35 -2.07 -3.45 115.58 110.48 1orm h ASN 34 Ca 0.00 0.09 0.16 0.00 -0.55 0.00 0.00 56.30 56.00 1orm h ASN 34 Cb 0.84 0.23 -0.25 0.00 0.05 0.00 0.00 38.32 39.19 1orm h ASN 34 CO 0.05 -0.18 0.73 -0.44 -1.65 0.00 0.00 177.43 175.94 1orm s SER 35 N -5.09 -0.22 1.06 5.81 0.01 -1.22 -5.18 113.70 108.87 1orm s SER 35 Ca -0.14 0.23 -0.17 0.00 1.31 0.00 0.00 55.95 57.18 1orm s SER 35 Cb 0.11 0.18 0.23 0.00 0.21 0.00 0.00 66.02 66.75 1orm s SER 35 CO 0.68 -0.21 1.21 -2.16 0.41 0.00 0.00 173.24 173.17 1orm s PRO 36 N -1.14 -0.10 -0.35 12.44 0.04 -1.26 -2.82 135.00 141.81 1orm s PRO 36 Ca 0.03 -0.18 -0.02 0.00 0.04 0.00 0.00 61.00 60.87 1orm s PRO 36 Cb -0.01 -1.74 0.27 0.00 0.04 0.00 0.00 34.50 33.06 1orm s PRO 36 CO -0.03 -2.95 1.20 -0.11 0.04 0.00 0.00 177.00 175.15 1orm n LEU 37 N -4.19 -1.46 -4.53 -3.56 7.94 -0.97 -4.84 117.00 105.39 1orm n LEU 37 Ca 0.13 -1.91 -0.34 0.00 -1.11 0.00 0.00 56.01 52.79 1orm n LEU 37 Cb 0.59 0.58 -0.12 0.00 0.53 0.00 0.00 43.42 45.01 1orm n LEU 37 CO 0.47 1.61 -0.37 -0.83 -1.11 0.00 0.00 177.39 177.16 1orm s GLY 38 N -0.36 1.70 -0.36 -3.96 0.00 -1.22 -4.15 107.32 98.98 1orm s GLY 38 Ca 0.27 -0.85 0.05 0.00 0.00 0.00 0.00 44.72 44.18 1orm s GLY 38 CO -0.10 -0.32 1.31 1.55 0.00 0.00 0.00 173.10 175.54 1orm n VAL 39 N 2.98 0.00 0.00 1.40 3.14 -1.26 -1.23 118.33 123.36 1orm n VAL 39 Ca -0.18 -0.87 0.00 0.00 -2.96 0.00 0.00 64.34 60.34 1orm n VAL 39 Cb 0.53 1.12 0.00 0.00 -1.06 0.00 0.00 33.84 34.43 1orm n VAL 39 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1orm n ILE 40 N 0.33 0.00 0.00 1.55 3.06 -1.26 -4.55 119.36 118.49 1orm n ILE 40 Ca -0.05 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.20 1orm n ILE 40 Cb 0.74 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.92 1orm n ILE 40 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1orm n GLY 41 N -0.01 0.14 0.00 4.50 0.00 -1.26 -3.90 105.19 104.66 1orm n GLY 41 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1orm n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1orm n SER 42 N 0.00 0.00 -3.25 1.61 7.64 -1.26 -4.85 113.62 113.50 1orm n SER 42 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 1orm n SER 42 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1orm n SER 42 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1orm s PHE 43 N 0.00 -1.21 0.28 1.43 5.36 -1.26 -4.12 117.98 118.46 1orm s PHE 43 Ca 0.00 1.25 0.01 0.00 -0.96 0.00 0.00 56.93 57.23 1orm s PHE 43 Cb 0.00 0.28 -0.03 0.00 -0.34 0.00 0.00 43.02 42.94 1orm s PHE 43 CO 0.00 -0.80 0.27 -0.08 -1.46 0.00 0.00 175.22 173.15 1orm s THR 44 N 2.70 0.00 0.10 0.12 -1.32 -1.26 -4.75 115.64 111.23 1orm s THR 44 Ca 0.17 -1.89 0.06 0.00 -1.21 0.00 0.00 61.69 58.82 1orm s THR 44 Cb -0.15 -2.50 -0.03 0.00 -1.51 0.00 0.00 72.50 68.30 1orm s THR 44 CO -0.19 0.00 -0.16 -0.31 -2.21 0.00 0.00 174.62 171.75 1orm s TYR 45 N -3.69 1.48 0.57 9.09 1.51 -1.26 -4.51 117.35 120.54 1orm s TYR 45 Ca 0.37 -0.48 -0.06 0.00 -1.01 0.00 0.00 57.07 55.89 1orm s TYR 45 Cb 0.03 -0.80 -0.01 0.00 -0.11 0.00 0.00 41.96 41.08 1orm s TYR 45 CO 0.19 0.15 0.89 0.95 -1.11 0.00 0.00 175.55 176.62 1orm s THR 46 N -1.55 4.05 -0.44 -0.71 -4.23 -1.23 -3.95 115.64 107.59 1orm s THR 46 Ca 0.05 0.15 0.05 0.00 -1.18 0.00 0.00 61.69 60.76 1orm s THR 46 Cb -0.08 -3.59 0.17 0.00 1.34 0.00 0.00 72.50 70.34 1orm s THR 46 CO 0.03 -0.63 0.45 -0.70 -0.54 0.00 0.00 174.62 173.24 1orm s GLU 47 N -4.96 0.91 0.00 3.99 2.56 -1.26 -4.84 118.70 115.10 1orm s GLU 47 Ca 0.53 -1.63 0.00 0.00 0.00 0.00 0.00 54.97 53.86 1orm s GLU 47 Cb -0.11 -0.93 0.00 0.00 2.00 0.00 0.00 34.13 35.09 1orm s GLU 47 CO 0.46 -1.34 0.00 1.17 -0.56 0.00 0.00 175.26 174.99 1orm n LYS 48 N 3.08 0.00 0.00 4.30 4.81 -1.26 -4.60 118.16 124.49 1orm n LYS 48 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1orm n LYS 48 Cb 0.50 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.55 1orm n LYS 48 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1orm n SER 49 N -0.01 -3.24 -2.67 3.14 2.88 -1.26 -4.75 113.62 107.71 1orm n SER 49 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1orm n SER 49 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1orm n SER 49 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1orm n ARG 50 N -1.06 -4.21 -3.48 -1.46 0.63 -1.26 -4.44 116.66 101.39 1orm n ARG 50 Ca 0.00 3.20 -0.16 0.00 -0.92 0.00 0.00 57.85 59.97 1orm n ARG 50 Cb 0.00 -4.54 0.00 0.00 0.45 0.00 0.00 32.46 28.37 1orm n ARG 50 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1orm n THR 51 N 1.83 -6.15 0.05 5.15 -1.04 -1.26 -4.94 114.28 107.92 1orm n THR 51 Ca -0.37 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 1orm n THR 51 Cb 0.58 -4.59 0.00 0.00 -1.82 0.00 0.00 70.33 64.50 1orm n THR 51 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1orm n ALA 52 N -2.07 3.00 1.12 2.41 0.00 -1.26 -4.83 120.51 118.88 1orm n ALA 52 Ca -0.17 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.39 1orm n ALA 52 Cb 0.62 0.09 0.18 0.00 0.00 0.00 0.00 19.45 20.33 1orm n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1orm n SER 53 N -3.07 1.66 -3.33 0.00 2.88 -1.26 -4.96 113.62 105.54 1orm n SER 53 Ca 0.00 -1.29 -0.19 0.00 -1.33 0.00 0.00 58.87 56.05 1orm n SER 53 Cb 0.00 0.29 0.08 0.00 -0.75 0.00 0.00 64.21 63.83 1orm n SER 53 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1orm n SER 54 N -0.19 -4.30 -0.13 -3.46 2.88 -1.26 -4.93 113.62 102.23 1orm n SER 54 Ca 0.11 -0.54 -0.26 0.00 -1.33 0.00 0.00 58.87 56.85 1orm n SER 54 Cb 0.42 -4.76 -0.11 0.00 -0.75 0.00 0.00 64.21 59.02 1orm n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1orm n GLY 55 N -1.56 -0.47 0.00 0.46 0.00 -1.26 -5.03 105.19 97.32 1orm n GLY 55 Ca -0.11 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1orm n GLY 55 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1orm n ASP 56 N -4.03 0.00 -0.01 1.61 4.64 -1.26 -3.74 116.55 113.77 1orm n ASP 56 Ca -0.50 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 52.91 1orm n ASP 56 Cb 0.90 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.98 1orm n ASP 56 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1orm n TYR 57 N 0.00 -0.35 0.16 -0.67 0.18 -1.26 -4.90 117.16 110.32 1orm n TYR 57 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1orm n TYR 57 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 1orm n TYR 57 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 1orm n ASN 58 N -3.98 -2.65 0.00 9.48 5.15 -0.46 -4.77 115.26 118.03 1orm n ASN 58 Ca 0.00 0.61 0.00 0.00 -0.60 0.00 0.00 54.58 54.59 1orm n ASN 58 Cb 0.00 2.61 0.00 0.00 -0.53 0.00 0.00 39.78 41.86 1orm n ASN 58 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1orm n LYS 59 N -3.17 0.00 -3.59 1.20 5.02 -1.25 -4.94 118.16 111.43 1orm n LYS 59 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 1orm n LYS 59 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.87 1orm n LYS 59 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1orm s ASN 60 N 0.00 1.12 0.00 4.39 3.04 -1.26 -2.22 114.94 120.01 1orm s ASN 60 Ca 0.00 0.04 0.00 0.00 0.04 0.00 0.00 52.86 52.94 1orm s ASN 60 Cb 0.00 0.30 0.00 0.00 -1.54 0.00 0.00 41.25 40.01 1orm s ASN 60 CO 0.00 -0.29 0.00 1.67 -3.04 0.00 0.00 177.10 175.44 1orm n GLN 61 N 5.32 0.00 -3.83 0.43 7.27 -1.26 -4.82 117.38 120.50 1orm n GLN 61 Ca -0.05 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 56.95 1orm n GLN 61 Cb 0.50 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.14 1orm n GLN 61 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1orm s TYR 62 N 0.00 -0.09 0.03 3.69 2.02 -1.26 -4.99 117.35 116.75 1orm s TYR 62 Ca 0.00 -0.38 -0.09 0.00 -0.37 0.00 0.00 57.07 56.23 1orm s TYR 62 Cb 0.00 0.72 0.03 0.00 -0.40 0.00 0.00 41.96 42.31 1orm s TYR 62 CO 0.00 -1.19 0.44 0.98 -1.57 0.00 0.00 175.55 174.21 1orm n TYR 63 N -0.50 -0.53 -4.27 2.71 9.36 -1.26 -4.45 117.16 118.22 1orm n TYR 63 Ca -0.05 -0.37 -0.23 0.00 3.32 0.00 0.00 57.90 60.57 1orm n TYR 63 Cb 0.60 0.17 -0.07 0.00 -0.63 0.00 0.00 39.34 39.41 1orm n TYR 63 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1orm s GLY 64 N -2.81 1.62 -0.09 2.98 0.00 -1.26 -4.19 107.32 103.57 1orm s GLY 64 Ca 0.10 -1.61 0.02 0.00 0.00 0.00 0.00 44.72 43.23 1orm s GLY 64 CO 0.01 -1.67 -0.15 -0.26 0.00 0.00 0.00 173.10 171.02 1orm s ILE 65 N -2.29 1.41 0.22 0.90 -4.36 -1.26 -4.38 121.20 111.45 1orm s ILE 65 Ca 0.32 -0.62 -0.02 0.00 -0.26 0.00 0.00 60.65 60.07 1orm s ILE 65 Cb -0.07 -1.28 -0.03 0.00 1.25 0.00 0.00 42.46 42.33 1orm s ILE 65 CO 0.21 0.42 0.20 0.42 0.24 0.00 0.00 174.94 176.43 1orm s THR 66 N 0.75 0.00 -0.19 8.37 -4.23 -1.26 -4.21 115.64 114.88 1orm s THR 66 Ca -0.12 -1.91 -0.31 0.00 -1.18 0.00 0.00 61.69 58.17 1orm s THR 66 Cb -0.16 -2.46 0.14 0.00 1.34 0.00 0.00 72.50 71.36 1orm s THR 66 CO 0.03 0.00 1.13 0.00 -0.54 0.00 0.00 174.62 175.24 1orm s ALA 67 N -4.03 -2.00 0.00 3.99 0.00 -1.26 -4.18 121.76 114.27 1orm s ALA 67 Ca 0.37 1.62 0.00 0.00 0.00 0.00 0.00 51.96 53.95 1orm s ALA 67 Cb 0.05 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.48 1orm s ALA 67 CO 0.13 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1orm n GLY 68 N 0.40 1.93 0.49 0.00 0.00 -1.26 -4.47 105.19 102.29 1orm n GLY 68 Ca -0.05 0.15 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 1orm n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1orm n PRO 69 N -0.13 -0.73 -3.28 1.61 -0.04 -0.36 -4.36 135.00 127.71 1orm n PRO 69 Ca 0.00 -0.25 -0.35 0.00 -0.04 0.00 0.00 63.50 62.85 1orm n PRO 69 Cb 0.00 -0.20 -0.06 0.00 -0.04 0.00 0.00 33.50 33.20 1orm n PRO 69 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1orm s ALA 70 N -3.50 3.52 0.17 0.55 0.00 -1.26 -4.78 121.76 116.45 1orm s ALA 70 Ca 0.10 -0.05 -0.23 0.00 0.00 0.00 0.00 51.96 51.78 1orm s ALA 70 Cb -0.01 -2.61 0.07 0.00 0.00 0.00 0.00 23.12 20.58 1orm s ALA 70 CO 0.07 0.42 1.03 -0.47 0.00 0.00 0.00 175.76 176.81 1orm s TYR 71 N -1.51 0.01 0.40 0.00 5.04 -1.26 -5.10 117.35 114.93 1orm s TYR 71 Ca 0.40 -0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.67 1orm s TYR 71 Cb -0.15 0.68 0.00 0.00 0.35 0.00 0.00 41.96 42.83 1orm s TYR 71 CO 0.20 -0.86 0.00 0.54 -1.34 0.00 0.00 175.55 174.08 1orm n ARG 72 N -0.62 -4.76 -4.70 4.97 5.12 -1.26 -4.38 116.66 111.03 1orm n ARG 72 Ca -0.04 3.46 -0.32 0.00 -1.93 0.00 0.00 57.85 59.03 1orm n ARG 72 Cb 0.60 -3.84 -0.12 0.00 -1.16 0.00 0.00 32.46 27.94 1orm n ARG 72 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1orm s ILE 73 N -2.31 3.03 0.00 0.55 1.09 -1.26 -4.52 121.20 117.78 1orm s ILE 73 Ca 0.00 -0.96 0.00 0.00 -1.10 0.00 0.00 60.65 58.59 1orm s ILE 73 Cb 0.00 -2.26 0.00 0.00 -1.06 0.00 0.00 42.46 39.14 1orm s ILE 73 CO 0.00 0.43 0.00 -3.20 -0.10 0.00 0.00 174.94 172.07 1orm n ASN 74 N 1.79 1.40 0.21 3.58 2.85 -1.25 -5.05 115.26 118.79 1orm n ASN 74 Ca -0.16 -0.92 -0.15 0.00 -0.11 0.00 0.00 54.58 53.24 1orm n ASN 74 Cb 0.52 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.47 1orm n ASN 74 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1orm h ASP 75 N 0.00 -0.57 0.00 1.20 3.32 -2.03 -3.41 116.42 114.93 1orm h ASP 75 Ca 0.00 0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.91 1orm h ASP 75 Cb 0.00 0.18 -0.13 0.00 0.22 0.00 0.00 39.33 39.60 1orm h ASP 75 CO 0.00 -0.35 -0.18 0.79 -1.72 0.00 0.00 179.24 177.77 1orm n TRP 76 N -5.35 -1.75 -3.53 4.55 8.01 -1.26 -5.14 117.44 112.97 1orm n TRP 76 Ca -0.10 -1.49 -0.17 0.00 -1.31 0.00 0.00 57.50 54.43 1orm n TRP 76 Cb 0.26 1.44 -0.06 0.00 -2.01 0.00 0.00 31.31 30.94 1orm n TRP 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1orm s ALA 77 N 0.16 -1.79 0.03 6.99 0.00 -1.26 -5.04 121.76 120.85 1orm s ALA 77 Ca 0.19 1.35 -0.06 0.00 0.00 0.00 0.00 51.96 53.44 1orm s ALA 77 Cb 0.28 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 1orm s ALA 77 CO -0.09 -0.36 0.28 -1.12 0.00 0.00 0.00 175.76 174.46 1orm s SER 78 N -1.17 6.48 -0.15 0.00 0.01 -1.26 -3.82 113.70 113.79 1orm s SER 78 Ca -0.10 0.54 -0.01 0.00 1.31 0.00 0.00 55.95 57.69 1orm s SER 78 Cb -0.00 -2.08 0.04 0.00 0.21 0.00 0.00 66.02 64.19 1orm s SER 78 CO 0.09 0.21 -0.02 -0.63 0.41 0.00 0.00 173.24 173.30 1orm s ILE 79 N -1.37 0.83 -0.09 1.44 -1.09 -1.26 -4.70 121.20 114.95 1orm s ILE 79 Ca 0.30 -0.44 0.02 0.00 -2.23 0.00 0.00 60.65 58.31 1orm s ILE 79 Cb -0.13 -1.06 0.01 0.00 -1.58 0.00 0.00 42.46 39.70 1orm s ILE 79 CO 0.19 0.10 -0.16 -0.72 -1.23 0.00 0.00 174.94 173.11 1orm s TYR 80 N 1.76 1.91 -0.02 3.97 -0.85 -1.26 -4.32 117.35 118.54 1orm s TYR 80 Ca 0.01 -0.81 0.05 0.00 -0.52 0.00 0.00 57.07 55.81 1orm s TYR 80 Cb -0.15 -1.35 -0.01 0.00 0.38 0.00 0.00 41.96 40.83 1orm s TYR 80 CO -0.07 -0.39 -0.16 0.20 -1.52 0.00 0.00 175.55 173.61 1orm s GLY 81 N 0.72 0.82 0.01 5.49 0.00 -1.26 -3.93 107.32 109.16 1orm s GLY 81 Ca -0.12 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 43.92 1orm s GLY 81 CO 0.03 -0.56 -0.10 -1.34 0.00 0.00 0.00 173.10 171.14 1orm s VAL 82 N -0.33 0.75 0.00 1.40 -7.23 -1.26 -4.72 120.40 109.01 1orm s VAL 82 Ca 0.05 -0.62 0.06 0.00 -1.81 0.00 0.00 61.98 59.67 1orm s VAL 82 Cb -0.07 -0.67 -0.02 0.00 0.56 0.00 0.00 36.38 36.19 1orm s VAL 82 CO -0.00 0.06 -0.19 0.54 -0.31 0.00 0.00 175.10 175.19 1orm s VAL 83 N -0.53 1.52 0.00 1.32 0.11 -1.26 -3.31 120.40 118.25 1orm s VAL 83 Ca 0.01 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.14 1orm s VAL 83 Cb -0.05 -1.28 0.00 0.00 -1.53 0.00 0.00 36.38 33.51 1orm s VAL 83 CO 0.00 0.35 0.00 0.61 -3.33 0.00 0.00 175.10 172.73 1orm n GLY 84 N 2.39 4.32 2.65 6.54 0.00 -1.26 -4.54 105.19 115.28 1orm n GLY 84 Ca -0.16 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.53 1orm n GLY 84 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1orm s VAL 85 N -1.56 -0.21 0.63 1.61 -7.23 -1.26 -4.59 120.40 107.78 1orm s VAL 85 Ca 0.00 -0.44 -0.16 0.00 -1.81 0.00 0.00 61.98 59.56 1orm s VAL 85 Cb 0.00 -0.84 -0.02 0.00 0.56 0.00 0.00 36.38 36.08 1orm s VAL 85 CO 0.00 -0.47 1.12 -0.83 -0.31 0.00 0.00 175.10 174.61 1orm s GLY 86 N 2.22 2.33 0.49 2.32 0.00 -1.26 -4.67 107.32 108.75 1orm s GLY 86 Ca 0.07 0.66 0.06 0.00 0.00 0.00 0.00 44.72 45.51 1orm s GLY 86 CO -0.25 1.02 0.47 -1.72 0.00 0.00 0.00 173.10 172.61 1orm n TYR 87 N -2.07 -1.21 -1.35 1.90 4.01 -1.26 -4.42 117.16 112.75 1orm n TYR 87 Ca 0.11 -1.98 -0.52 0.00 -0.16 0.00 0.00 57.90 55.34 1orm n TYR 87 Cb 0.51 -0.42 -0.07 0.00 -0.31 0.00 0.00 39.34 39.06 1orm n TYR 87 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1orm n GLY 88 N -0.92 -0.44 2.59 2.72 0.00 -1.24 -4.44 105.19 103.45 1orm n GLY 88 Ca 0.03 0.64 -0.28 0.00 0.00 0.00 0.00 46.02 46.41 1orm n GLY 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1orm n LYS 89 N 1.31 2.38 -2.79 1.61 4.81 -1.26 -4.84 118.16 119.37 1orm n LYS 89 Ca 0.18 -4.62 -0.24 0.00 -0.87 0.00 0.00 58.31 52.76 1orm n LYS 89 Cb 0.09 -2.28 0.02 0.00 0.02 0.00 0.00 35.03 32.89 1orm n LYS 89 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1orm s PHE 90 N -2.18 3.18 0.05 5.64 0.08 -1.26 -4.94 117.98 118.55 1orm s PHE 90 Ca 0.35 0.30 0.00 0.00 0.12 0.00 0.00 56.93 57.70 1orm s PHE 90 Cb 0.09 -2.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.06 1orm s PHE 90 CO -0.06 -0.55 0.00 0.00 -0.10 0.00 0.00 175.22 174.52 1orm n GLN 91 N -2.24 0.00 0.00 0.44 10.64 -0.94 -4.41 117.38 120.87 1orm n GLN 91 Ca 0.03 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.20 1orm n GLN 91 Cb 0.58 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.96 1orm n GLN 91 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1orm n THR 92 N -2.76 0.00 0.00 -0.39 5.66 -1.26 -1.36 114.28 114.17 1orm n THR 92 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1orm n THR 92 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1orm n THR 92 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1orm n THR 93 N 0.00 0.00 0.20 1.09 -1.04 -1.26 -1.97 114.28 111.29 1orm n THR 93 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1orm n THR 93 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1orm n THR 93 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1orm n GLU 94 N 0.00 0.00 -4.45 -2.82 2.13 -1.26 -5.05 120.64 109.20 1orm n GLU 94 Ca 0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 1orm n GLU 94 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 1orm n GLU 94 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1orm s TYR 95 N -2.00 2.53 -0.72 4.31 2.02 -1.26 -4.88 117.35 117.35 1orm s TYR 95 Ca 0.00 -0.59 -0.06 0.00 -0.37 0.00 0.00 57.07 56.05 1orm s TYR 95 Cb 0.00 -1.72 -0.12 0.00 -0.40 0.00 0.00 41.96 39.72 1orm s TYR 95 CO 0.00 0.41 2.63 -0.35 -1.57 0.00 0.00 175.55 176.67 1orm n PRO 96 N -1.01 2.25 -0.05 -1.71 -0.04 -1.24 -3.77 135.00 129.42 1orm n PRO 96 Ca -0.04 -1.35 -0.09 0.00 -0.04 0.00 0.00 63.50 61.98 1orm n PRO 96 Cb 0.65 -2.30 -0.04 0.00 -0.04 0.00 0.00 33.50 31.77 1orm n PRO 96 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1orm n THR 97 N 3.39 0.59 -3.79 0.52 5.66 -1.26 -5.11 114.28 114.28 1orm n THR 97 Ca 0.48 -0.19 -0.00 0.00 -3.05 0.00 0.00 64.05 61.28 1orm n THR 97 Cb 0.39 -1.20 0.01 0.00 -1.55 0.00 0.00 70.33 67.97 1orm n THR 97 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1orm n TYR 98 N -3.10 -0.68 -2.25 1.09 4.01 -1.25 -5.18 117.16 109.81 1orm n TYR 98 Ca -0.20 -0.55 -0.07 0.00 -0.16 0.00 0.00 57.90 56.92 1orm n TYR 98 Cb 0.68 0.26 0.04 0.00 -0.31 0.00 0.00 39.34 40.01 1orm n TYR 98 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1orm n LYS 99 N -0.44 0.31 -0.28 -0.72 2.85 -1.26 -4.55 118.16 114.08 1orm n LYS 99 Ca 0.00 -0.83 -0.03 0.00 -1.05 0.00 0.00 58.31 56.40 1orm n LYS 99 Cb 0.31 -0.23 0.03 0.00 -0.65 0.00 0.00 35.03 34.49 1orm n LYS 99 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 177.40 174.40 1orm h ASN 100 N -0.22 -1.22 0.00 -5.58 -1.07 -1.77 -3.46 115.58 102.26 1orm h ASN 100 Ca -0.11 0.26 0.00 0.00 0.07 0.00 0.00 56.30 56.52 1orm h ASN 100 Cb 0.38 0.64 0.00 0.00 -2.07 0.00 0.00 38.32 37.27 1orm h ASN 100 CO 0.11 -0.30 0.00 -0.67 0.07 0.00 0.00 177.43 176.64 1orm n ASP 101 N -5.46 0.00 -1.77 6.14 -0.08 -1.26 -5.05 116.55 109.07 1orm n ASP 101 Ca 0.07 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.35 1orm n ASP 101 Cb 0.38 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.84 1orm n ASP 101 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1orm n THR 102 N 0.00 0.00 -1.68 5.18 5.66 -1.26 -5.14 114.28 117.05 1orm n THR 102 Ca 0.00 -0.11 -0.44 0.00 -3.05 0.00 0.00 64.05 60.45 1orm n THR 102 Cb 0.00 0.20 -0.02 0.00 -1.55 0.00 0.00 70.33 68.97 1orm n THR 102 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1orm n SER 103 N -0.62 2.60 -4.15 1.09 7.64 -1.26 -4.63 113.62 114.29 1orm n SER 103 Ca 0.00 1.18 -0.10 0.00 1.01 0.00 0.00 58.87 60.96 1orm n SER 103 Cb 0.17 -1.44 -0.10 0.00 -1.01 0.00 0.00 64.21 61.84 1orm n SER 103 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1orm s ASP 104 N -0.10 0.26 -0.10 6.43 -4.77 -1.26 -4.92 116.67 112.20 1orm s ASP 104 Ca 0.61 -1.23 -0.32 0.00 -3.30 0.00 0.00 52.55 48.30 1orm s ASP 104 Cb -0.62 0.33 0.12 0.00 -1.09 0.00 0.00 42.92 41.66 1orm s ASP 104 CO 0.57 -0.77 1.16 -0.72 0.70 0.00 0.00 175.17 176.11 1orm s TYR 105 N -4.07 -0.15 0.00 2.11 1.13 -1.26 -3.63 117.35 111.49 1orm s TYR 105 Ca 0.27 0.05 0.00 0.00 -1.41 0.00 0.00 57.07 55.99 1orm s TYR 105 Cb 0.07 0.53 0.00 0.00 -1.10 0.00 0.00 41.96 41.46 1orm s TYR 105 CO 0.04 -0.31 0.00 0.41 -2.51 0.00 0.00 175.55 173.18 1orm n GLY 106 N -0.22 6.91 2.40 5.49 0.00 -1.26 -4.89 105.19 113.62 1orm n GLY 106 Ca -0.03 -1.88 -0.17 0.00 0.00 0.00 0.00 46.02 43.93 1orm n GLY 106 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1orm n PHE 107 N 0.00 -1.42 0.00 1.61 -0.00 -1.26 -4.50 117.46 111.89 1orm n PHE 107 Ca 0.00 -2.92 0.00 0.00 -0.00 0.00 0.00 57.45 54.53 1orm n PHE 107 Cb 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 39.48 39.87 1orm n PHE 107 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1orm n SER 108 N 1.28 0.00 0.00 -2.13 7.64 -1.26 -4.96 113.62 114.19 1orm n SER 108 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1orm n SER 108 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1orm n SER 108 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1orm n TYR 109 N -0.90 0.00 -3.58 1.43 9.36 -1.21 -4.26 117.16 118.00 1orm n TYR 109 Ca 0.00 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.19 1orm n TYR 109 Cb 0.00 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.65 1orm n TYR 109 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1orm s GLY 110 N 0.00 -0.63 0.00 2.98 0.00 -1.23 -4.68 107.32 103.77 1orm s GLY 110 Ca 0.00 1.96 0.00 0.00 0.00 0.00 0.00 44.72 46.68 1orm s GLY 110 CO 0.00 2.88 0.00 0.00 0.00 0.00 0.00 173.10 175.98 1orm n ALA 111 N 5.43 0.00 -2.73 3.20 0.00 -1.24 -4.43 120.51 120.73 1orm n ALA 111 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.02 1orm n ALA 111 Cb 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.87 1orm n ALA 111 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1orm s GLY 112 N 0.00 3.04 -0.26 0.00 0.00 -1.26 -2.30 107.32 106.54 1orm s GLY 112 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 44.72 44.43 1orm s GLY 112 CO 0.00 -2.14 0.40 -2.27 0.00 0.00 0.00 173.10 169.09 1orm s LEU 113 N -3.85 -0.74 -0.33 0.66 1.98 -1.10 -4.65 118.68 110.66 1orm s LEU 113 Ca 0.05 0.19 0.02 0.00 -2.89 0.00 0.00 54.13 51.50 1orm s LEU 113 Cb 0.00 1.22 0.10 0.00 0.66 0.00 0.00 46.19 48.18 1orm s LEU 113 CO 0.03 -0.30 0.07 -1.58 -1.89 0.00 0.00 176.35 172.68 1orm s GLN 114 N 2.58 1.11 -0.30 1.98 2.00 -1.26 -4.39 119.66 121.38 1orm s GLN 114 Ca 0.13 -1.49 -0.06 0.00 -2.00 0.00 0.00 55.36 51.94 1orm s GLN 114 Cb -0.15 -2.62 0.19 0.00 0.80 0.00 0.00 33.01 31.23 1orm s GLN 114 CO -0.19 -0.96 0.87 0.12 -0.50 0.00 0.00 175.29 174.63 1orm s PHE 115 N 1.25 -0.99 -0.00 1.67 5.36 -1.26 -4.73 117.98 119.27 1orm s PHE 115 Ca 0.10 0.79 -0.09 0.00 -0.96 0.00 0.00 56.93 56.77 1orm s PHE 115 Cb -0.18 0.25 0.01 0.00 -0.34 0.00 0.00 43.02 42.76 1orm s PHE 115 CO -0.16 -0.56 0.19 0.54 -1.46 0.00 0.00 175.22 173.76 1orm s ASN 116 N 2.91 -0.04 -0.72 6.13 4.22 -1.26 -5.03 114.94 121.16 1orm s ASN 116 Ca 0.14 -0.11 -0.06 0.00 -2.14 0.00 0.00 52.86 50.69 1orm s ASN 116 Cb -0.08 0.24 -0.12 0.00 1.28 0.00 0.00 41.25 42.56 1orm s ASN 116 CO -0.20 -0.38 2.63 -0.81 -2.04 0.00 0.00 177.10 176.30 1orm n PRO 117 N 1.45 2.25 -2.67 3.55 -0.04 -1.26 -4.19 135.00 134.08 1orm n PRO 117 Ca -0.22 -1.35 -0.02 0.00 -0.04 0.00 0.00 63.50 61.86 1orm n PRO 117 Cb 0.56 -2.30 0.03 0.00 -0.04 0.00 0.00 33.50 31.75 1orm n PRO 117 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1orm s MET 118 N 2.31 0.14 0.58 0.54 -1.94 -1.26 -5.00 119.30 114.67 1orm s MET 118 Ca 0.52 -0.13 0.38 0.00 -1.71 0.00 0.00 55.69 54.75 1orm s MET 118 Cb 0.18 -0.00 2.00 0.00 2.01 0.00 0.00 34.83 39.01 1orm s MET 118 CO -0.03 -0.18 2.17 0.93 -0.01 0.00 0.00 175.02 177.91 1orm h GLU 119 N 4.30 0.00 0.00 2.03 5.08 -1.96 0.20 114.58 124.24 1orm h GLU 119 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1orm h GLU 119 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1orm h GLU 119 CO -0.12 0.00 0.00 -0.97 -1.00 0.00 0.00 179.01 176.92 1orm h ASN 120 N 0.00 0.00 -1.67 1.42 -1.24 -1.95 -3.37 115.58 108.77 1orm h ASN 120 Ca 0.00 0.00 0.10 0.00 0.71 0.00 0.00 56.30 57.11 1orm h ASN 120 Cb 0.11 0.00 -0.21 0.00 0.73 0.00 0.00 38.32 38.95 1orm h ASN 120 CO 0.00 0.00 -0.10 0.54 -1.29 0.00 0.00 177.43 176.58 1orm s VAL 121 N -3.41 -0.92 0.00 2.57 0.11 0.72 -4.37 120.40 115.10 1orm s VAL 121 Ca 0.05 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 1orm s VAL 121 Cb 0.08 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.93 1orm s VAL 121 CO 0.58 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.35 1orm n ALA 122 N 5.38 0.00 -3.78 1.54 0.00 -1.23 -4.47 120.51 117.96 1orm n ALA 122 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.05 1orm n ALA 122 Cb 0.50 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.79 1orm n ALA 122 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1orm s LEU 123 N 0.00 1.89 0.29 0.00 2.34 -1.26 -4.68 118.68 117.26 1orm s LEU 123 Ca 0.00 -1.21 -0.30 0.00 0.06 0.00 0.00 54.13 52.68 1orm s LEU 123 Cb 0.00 -0.82 -0.13 0.00 -0.56 0.00 0.00 46.19 44.68 1orm s LEU 123 CO 0.00 -0.33 1.42 -0.90 -1.06 0.00 0.00 176.35 175.47 1orm n ASP 124 N 4.89 3.02 -2.70 1.48 5.75 -1.26 -4.87 116.55 122.86 1orm n ASP 124 Ca -0.07 1.17 -0.07 0.00 -0.01 0.00 0.00 54.79 55.81 1orm n ASP 124 Cb 0.45 -1.49 0.09 0.00 -1.03 0.00 0.00 41.12 39.14 1orm n ASP 124 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1orm n PHE 125 N 1.45 -2.10 -3.77 2.11 7.35 -1.26 -4.97 117.46 116.27 1orm n PHE 125 Ca 0.09 -1.70 -0.37 0.00 -0.76 0.00 0.00 57.45 54.71 1orm n PHE 125 Cb 0.34 1.51 -0.13 0.00 0.35 0.00 0.00 39.48 41.56 1orm n PHE 125 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1orm s SER 126 N -0.97 5.10 -0.11 -2.13 0.01 -1.26 -2.70 113.70 111.63 1orm s SER 126 Ca 0.19 -0.75 0.02 0.00 1.31 0.00 0.00 55.95 56.72 1orm s SER 126 Cb 0.31 -1.87 0.01 0.00 0.21 0.00 0.00 66.02 64.68 1orm s SER 126 CO -0.08 -0.20 -0.16 -0.72 0.41 0.00 0.00 173.24 172.49 1orm s TYR 127 N 1.48 2.07 0.63 2.43 1.13 -0.97 -4.60 117.35 119.51 1orm s TYR 127 Ca 0.02 -0.99 -0.11 0.00 -1.41 0.00 0.00 57.07 54.59 1orm s TYR 127 Cb -0.17 -1.48 -0.03 0.00 -1.10 0.00 0.00 41.96 39.18 1orm s TYR 127 CO 0.02 -0.50 1.02 -1.83 -2.51 0.00 0.00 175.55 171.76 1orm s GLU 128 N 0.96 3.43 -0.17 -3.49 -1.05 -1.26 -3.59 118.70 113.52 1orm s GLU 128 Ca -0.07 0.63 -0.04 0.00 -0.15 0.00 0.00 54.97 55.35 1orm s GLU 128 Cb -0.15 -2.10 -0.02 0.00 -0.44 0.00 0.00 34.13 31.42 1orm s GLU 128 CO -0.02 -0.64 -0.04 -0.65 0.95 0.00 0.00 175.26 174.87 1orm s GLN 129 N -5.18 3.58 -0.06 -4.83 -0.21 -1.26 -4.65 119.66 107.06 1orm s GLN 129 Ca 0.55 -0.55 0.01 0.00 0.02 0.00 0.00 55.36 55.39 1orm s GLN 129 Cb -0.11 -2.94 0.02 0.00 1.00 0.00 0.00 33.01 30.98 1orm s GLN 129 CO 0.53 0.11 -0.08 -1.54 -2.12 0.00 0.00 175.29 172.19 1orm s SER 130 N 0.70 1.46 -0.38 5.90 1.04 -1.26 -3.67 113.70 117.50 1orm s SER 130 Ca -0.02 -0.21 0.06 0.00 0.48 0.00 0.00 55.95 56.25 1orm s SER 130 Cb -0.14 -0.65 0.48 0.00 0.10 0.00 0.00 66.02 65.81 1orm s SER 130 CO 0.02 -0.04 1.49 -2.11 0.98 0.00 0.00 173.24 173.59 1orm n ARG 131 N 4.13 2.70 -2.87 4.02 1.85 -1.26 -2.31 116.66 122.92 1orm n ARG 131 Ca -0.22 -3.59 -0.33 0.00 -1.00 0.00 0.00 57.85 52.72 1orm n ARG 131 Cb 0.51 -2.10 -0.02 0.00 -1.05 0.00 0.00 32.46 29.80 1orm n ARG 131 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 1orm n ILE 132 N -0.92 4.23 0.00 8.89 0.13 -1.26 -4.88 119.36 125.55 1orm n ILE 132 Ca 0.44 -5.73 0.00 0.00 -1.10 0.00 0.00 62.75 56.37 1orm n ILE 132 Cb 0.93 -1.53 0.00 0.00 -0.84 0.00 0.00 39.64 38.21 1orm n ILE 132 CO 0.00 0.00 0.00 -1.14 2.80 0.00 0.00 176.55 178.21 1orm n ARG 133 N -0.04 0.00 -0.29 9.51 0.00 -1.26 -4.63 116.66 119.95 1orm n ARG 133 Ca 0.36 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 58.27 1orm n ARG 133 Cb 0.34 0.00 0.15 0.00 0.00 0.00 0.00 32.46 32.95 1orm n ARG 133 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1orm h SER 134 N 0.00 -0.59 0.00 6.15 0.02 -1.90 -3.43 113.55 113.81 1orm h SER 134 Ca 0.00 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1orm h SER 134 Cb 0.00 0.45 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1orm h SER 134 CO 0.00 -0.26 0.00 0.52 -1.14 0.00 0.00 176.83 175.95 1orm n VAL 135 N -5.47 0.00 -3.11 2.27 0.31 -0.98 -4.21 118.33 107.15 1orm n VAL 135 Ca 0.14 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 64.02 1orm n VAL 135 Cb 0.49 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.39 1orm n VAL 135 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1orm s ASP 136 N -3.66 6.40 0.25 4.52 1.01 -1.26 -4.08 116.67 119.85 1orm s ASP 136 Ca 0.00 -1.83 -0.26 0.00 0.71 0.00 0.00 52.55 51.18 1orm s ASP 136 Cb 0.00 -2.31 -0.09 0.00 1.01 0.00 0.00 42.92 41.54 1orm s ASP 136 CO 0.00 -1.00 0.86 0.54 0.21 0.00 0.00 175.17 175.79 1orm s VAL 137 N 2.18 4.28 -0.95 -1.27 0.11 -1.26 0.12 120.40 123.61 1orm s VAL 137 Ca 0.18 1.76 -0.02 0.00 -2.93 0.00 0.00 61.98 60.97 1orm s VAL 137 Cb -0.17 -4.09 0.28 0.00 -1.53 0.00 0.00 36.38 30.87 1orm s VAL 137 CO -0.00 0.33 1.16 0.61 -3.33 0.00 0.00 175.10 173.86 1orm n GLY 138 N 1.06 4.84 2.81 6.54 0.00 -1.26 -4.76 105.19 114.41 1orm n GLY 138 Ca -0.02 -2.68 -0.41 0.00 0.00 0.00 0.00 46.02 42.92 1orm n GLY 138 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1orm n THR 139 N 1.47 5.51 -2.59 2.61 5.66 -1.26 -3.47 114.28 122.22 1orm n THR 139 Ca 0.26 -5.93 -0.42 0.00 -3.05 0.00 0.00 64.05 54.91 1orm n THR 139 Cb 0.36 -1.80 -0.02 0.00 -1.55 0.00 0.00 70.33 67.32 1orm n THR 139 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 1orm s TRP 140 N -3.54 2.64 -0.21 1.09 -0.11 -1.26 -4.64 118.94 112.91 1orm s TRP 140 Ca 0.36 0.45 -0.08 0.00 1.22 0.00 0.00 56.10 58.06 1orm s TRP 140 Cb 0.13 -4.50 -0.04 0.00 -1.50 0.00 0.00 33.47 27.56 1orm s TRP 140 CO -0.02 -1.54 0.07 0.96 -4.62 0.00 0.00 176.95 171.81 1orm s ILE 141 N 4.87 4.62 -0.33 5.86 -4.36 -1.25 -4.05 121.20 126.55 1orm s ILE 141 Ca 0.43 -0.08 -0.16 0.00 -0.26 0.00 0.00 60.65 60.59 1orm s ILE 141 Cb -0.07 -3.12 -0.02 0.00 1.25 0.00 0.00 42.46 40.50 1orm s ILE 141 CO 0.26 0.40 0.39 0.00 0.24 0.00 0.00 174.94 176.23 1orm s ALA 142 N 0.96 3.51 0.45 2.27 0.00 -1.01 -4.63 121.76 123.31 1orm s ALA 142 Ca 0.04 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1orm s ALA 142 Cb -0.14 -2.82 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 1orm s ALA 142 CO 0.03 -0.99 0.08 0.20 0.00 0.00 0.00 175.76 175.08 1orm s GLY 143 N 1.72 2.77 0.06 0.00 0.00 -1.26 -3.71 107.32 106.89 1orm s GLY 143 Ca 0.14 -0.93 0.05 0.00 0.00 0.00 0.00 44.72 43.97 1orm s GLY 143 CO 0.12 -1.97 -0.13 -1.34 0.00 0.00 0.00 173.10 169.78 1orm s VAL 144 N -3.08 1.03 -0.64 1.40 -7.23 -1.26 -4.67 120.40 105.95 1orm s VAL 144 Ca 0.17 -1.18 -0.28 0.00 -1.81 0.00 0.00 61.98 58.88 1orm s VAL 144 Cb 0.02 -0.98 0.02 0.00 0.56 0.00 0.00 36.38 36.00 1orm s VAL 144 CO 0.10 -0.18 1.31 -0.83 -0.31 0.00 0.00 175.10 175.19 1orm s GLY 145 N -1.54 0.93 0.03 2.32 0.00 -1.26 -4.41 107.32 103.39 1orm s GLY 145 Ca -0.02 -0.99 0.04 0.00 0.00 0.00 0.00 44.72 43.74 1orm s GLY 145 CO 0.02 2.68 -0.11 -0.47 0.00 0.00 0.00 173.10 175.21 1orm s TYR 146 N 5.72 0.99 -0.08 1.90 6.14 -1.26 -4.08 117.35 126.67 1orm s TYR 146 Ca 0.43 -0.34 -0.04 0.00 0.64 0.00 0.00 57.07 57.76 1orm s TYR 146 Cb -0.09 -0.59 0.04 0.00 0.42 0.00 0.00 41.96 41.74 1orm s TYR 146 CO 0.21 0.00 0.19 -0.98 0.64 0.00 0.00 175.55 175.62 1orm s ARG 147 N -1.03 0.16 0.00 4.97 1.70 -1.26 -4.31 118.95 119.17 1orm s ARG 147 Ca -0.01 0.43 0.00 0.00 -0.47 0.00 0.00 55.73 55.68 1orm s ARG 147 Cb -0.07 -0.12 0.00 0.00 -0.57 0.00 0.00 34.95 34.19 1orm s ARG 147 CO 0.01 -0.15 0.39 0.34 -1.08 0.00 0.00 175.30 174.81