#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 3.52 -0.58 0.00 2.01 -0.68 -4.98 115.64 114.93 1orm s THR 2 Ca 0.00 1.52 -0.20 0.00 0.31 0.00 0.00 61.69 63.33 1orm s THR 2 Cb 0.00 -3.97 0.09 0.00 0.01 0.00 0.00 72.50 68.63 1orm s THR 2 CO 0.00 0.36 0.72 -0.55 -0.69 0.00 0.00 174.62 174.46 1orm s SER 3 N -0.87 6.19 -0.28 3.53 0.15 -1.26 -4.08 113.70 117.08 1orm s SER 3 Ca 0.44 -1.23 -0.01 0.00 0.70 0.00 0.00 55.95 55.86 1orm s SER 3 Cb -0.32 -2.32 0.05 0.00 -1.71 0.00 0.00 66.02 61.73 1orm s SER 3 CO 0.41 -1.11 -0.03 0.42 1.20 0.00 0.00 173.24 174.13 1orm s THR 4 N 2.87 2.77 -1.19 6.45 -4.23 -1.26 -3.85 115.64 117.19 1orm s THR 4 Ca 0.14 -1.41 -0.08 0.00 -1.18 0.00 0.00 61.69 59.15 1orm s THR 4 Cb -0.22 -2.58 0.22 0.00 1.34 0.00 0.00 72.50 71.26 1orm s THR 4 CO 0.08 -0.06 1.64 0.52 -0.54 0.00 0.00 174.62 176.27 1orm n VAL 5 N 4.58 4.68 -2.75 2.29 0.31 -1.26 -4.52 118.33 121.66 1orm n VAL 5 Ca -0.14 -5.02 -0.42 0.00 -0.01 0.00 0.00 64.34 58.75 1orm n VAL 5 Cb 0.43 -2.29 0.01 0.00 -0.91 0.00 0.00 33.84 31.08 1orm n VAL 5 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1orm n THR 6 N 2.76 5.27 -4.31 2.52 -2.24 -1.26 -3.94 114.28 113.08 1orm n THR 6 Ca 0.34 -5.55 -0.17 0.00 -2.27 0.00 0.00 64.05 56.40 1orm n THR 6 Cb 0.36 -2.05 -0.10 0.00 -2.10 0.00 0.00 70.33 66.44 1orm n THR 6 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1orm s GLY 7 N -1.08 1.48 0.00 3.38 0.00 -1.26 -4.26 107.32 105.58 1orm s GLY 7 Ca 0.35 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.35 1orm s GLY 7 CO 0.04 -1.65 0.00 0.61 0.00 0.00 0.00 173.10 172.10 1orm n GLY 8 N -0.38 -1.04 3.09 0.20 0.00 -1.26 -4.06 105.19 101.73 1orm n GLY 8 Ca -0.06 0.60 -0.12 0.00 0.00 0.00 0.00 46.02 46.44 1orm n GLY 8 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1orm s TYR 9 N 0.54 -0.43 -0.07 1.61 2.02 -1.26 -4.87 117.35 114.89 1orm s TYR 9 Ca 0.00 0.97 -0.03 0.00 -0.37 0.00 0.00 57.07 57.64 1orm s TYR 9 Cb 0.00 0.07 -0.04 0.00 -0.40 0.00 0.00 41.96 41.60 1orm s TYR 9 CO 0.00 -0.30 0.07 0.00 -1.57 0.00 0.00 175.55 173.75 1orm s ALA 10 N 1.70 3.57 0.21 3.71 0.00 -1.26 -4.24 121.76 125.45 1orm s ALA 10 Ca -0.06 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.16 1orm s ALA 10 Cb -0.11 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 1orm s ALA 10 CO -0.09 0.63 0.35 -1.14 0.00 0.00 0.00 175.76 175.50 1orm s GLN 11 N -1.19 3.45 -0.23 0.00 0.74 -1.13 -4.45 119.66 116.85 1orm s GLN 11 Ca 0.17 -0.64 0.01 0.00 0.05 0.00 0.00 55.36 54.95 1orm s GLN 11 Cb -0.12 -2.90 0.04 0.00 1.10 0.00 0.00 33.01 31.13 1orm s GLN 11 CO 0.06 0.44 -0.12 0.45 -0.55 0.00 0.00 175.29 175.58 1orm s SER 12 N -3.65 4.04 -0.19 6.67 0.15 -1.25 -4.25 113.70 115.22 1orm s SER 12 Ca 0.35 -1.03 -0.01 0.00 0.70 0.00 0.00 55.95 55.96 1orm s SER 12 Cb -0.10 -1.57 0.06 0.00 -1.71 0.00 0.00 66.02 62.70 1orm s SER 12 CO 0.29 -0.12 -0.01 -0.62 1.20 0.00 0.00 173.24 173.99 1orm s ASP 13 N 1.22 3.09 0.00 5.45 2.15 -1.08 -4.93 116.67 122.57 1orm s ASP 13 Ca -0.02 -0.86 0.00 0.00 0.43 0.00 0.00 52.55 52.10 1orm s ASP 13 Cb -0.17 -0.80 0.00 0.00 -0.30 0.00 0.00 42.92 41.65 1orm s ASP 13 CO -0.07 -0.26 0.00 0.00 -0.17 0.00 0.00 175.17 174.67 1orm n ALA 14 N 4.92 0.00 0.03 3.66 0.00 -1.25 0.29 120.51 128.16 1orm n ALA 14 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.33 1orm n ALA 14 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.91 1orm n ALA 14 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1orm n GLN 15 N -0.01 0.06 -0.14 0.00 -0.06 -1.24 -4.82 117.38 111.17 1orm n GLN 15 Ca 0.00 0.02 0.03 0.00 -2.00 0.00 0.00 57.00 55.05 1orm n GLN 15 Cb 0.00 -0.61 0.04 0.00 -4.06 0.00 0.00 30.24 25.62 1orm n GLN 15 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1orm n GLY 16 N 3.22 1.75 0.03 1.69 0.00 -1.26 -4.84 105.19 105.78 1orm n GLY 16 Ca -0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.63 1orm n GLY 16 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1orm n GLN 17 N -0.56 0.22 -2.82 1.61 6.02 -1.26 -5.05 117.38 115.55 1orm n GLN 17 Ca 0.05 0.39 -0.00 0.00 -0.01 0.00 0.00 57.00 57.43 1orm n GLN 17 Cb 0.53 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.56 1orm n GLN 17 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1orm n MET 18 N -3.43 -1.14 -3.68 -1.09 2.81 -1.26 -5.05 117.12 104.28 1orm n MET 18 Ca -0.03 1.36 -0.19 0.00 -1.81 0.00 0.00 57.70 57.02 1orm n MET 18 Cb 0.13 -5.12 -0.18 0.00 -0.71 0.00 0.00 33.22 27.35 1orm n MET 18 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1orm s ASN 19 N -2.84 1.00 0.21 7.83 4.22 -1.26 -4.93 114.94 119.18 1orm s ASN 19 Ca 0.01 0.08 -0.31 0.00 -2.14 0.00 0.00 52.86 50.49 1orm s ASN 19 Cb -0.00 -0.12 -0.15 0.00 1.28 0.00 0.00 41.25 42.26 1orm s ASN 19 CO 0.64 -0.24 1.22 0.29 -2.04 0.00 0.00 177.10 176.97 1orm n LYS 20 N 5.17 1.49 -3.75 3.55 5.02 -1.26 -4.92 118.16 123.45 1orm n LYS 20 Ca -0.06 0.53 -0.13 0.00 -2.02 0.00 0.00 58.31 56.63 1orm n LYS 20 Cb 0.50 -2.06 -0.08 0.00 -0.02 0.00 0.00 35.03 33.37 1orm n LYS 20 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1orm s MET 21 N -0.59 0.74 0.00 1.97 1.75 -1.26 -4.51 119.30 117.40 1orm s MET 21 Ca 0.69 -0.30 0.00 0.00 -1.25 0.00 0.00 55.69 54.83 1orm s MET 21 Cb -0.76 0.33 0.00 0.00 2.84 0.00 0.00 34.83 37.24 1orm s MET 21 CO 0.53 -0.22 0.00 0.41 -0.65 0.00 0.00 175.02 175.09 1orm n GLY 22 N 0.97 4.16 0.00 2.11 0.00 -1.26 -3.95 105.19 107.21 1orm n GLY 22 Ca -0.20 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.52 -1.24 3.37 -0.02 0.00 -1.26 -4.18 105.19 100.34 1orm n GLY 23 Ca 0.00 0.59 0.01 0.00 0.00 0.00 0.00 46.02 46.61 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 0.13 -1.43 -0.46 1.61 5.36 -1.26 -4.64 117.98 117.30 1orm s PHE 24 Ca 0.00 1.95 -0.12 0.00 -0.96 0.00 0.00 56.93 57.80 1orm s PHE 24 Cb 0.00 0.64 0.09 0.00 -0.34 0.00 0.00 43.02 43.41 1orm s PHE 24 CO 0.00 -0.76 0.35 1.21 -1.46 0.00 0.00 175.22 174.56 1orm s ASN 25 N 2.85 5.89 -0.24 6.13 2.47 -1.26 -4.33 114.94 126.46 1orm s ASN 25 Ca 0.08 -1.55 0.00 0.00 0.42 0.00 0.00 52.86 51.80 1orm s ASN 25 Cb -0.14 -2.09 0.03 0.00 -1.45 0.00 0.00 41.25 37.61 1orm s ASN 25 CO -0.20 -0.65 -0.10 -1.48 -3.72 0.00 0.00 177.10 170.96 1orm s LEU 26 N 1.51 3.09 0.42 3.21 0.05 -1.13 -4.07 118.68 121.76 1orm s LEU 26 Ca 0.04 -0.98 -0.25 0.00 0.05 0.00 0.00 54.13 52.98 1orm s LEU 26 Cb -0.25 -1.60 -0.08 0.00 -2.05 0.00 0.00 46.19 42.20 1orm s LEU 26 CO 0.03 -0.13 1.30 -0.75 -0.55 0.00 0.00 176.35 176.25 1orm s LYS 27 N 1.26 3.90 -0.33 1.48 2.36 -1.26 -1.51 119.74 125.64 1orm s LYS 27 Ca -0.01 2.13 -0.14 0.00 -2.55 0.00 0.00 55.97 55.40 1orm s LYS 27 Cb -0.17 -2.70 -0.02 0.00 -1.05 0.00 0.00 37.83 33.89 1orm s LYS 27 CO -0.06 -0.55 0.32 -0.47 1.55 0.00 0.00 175.35 176.14 1orm s TYR 28 N -1.29 3.22 -0.20 4.03 6.14 0.12 -4.66 117.35 124.71 1orm s TYR 28 Ca 0.58 -0.00 -0.12 0.00 0.64 0.00 0.00 57.07 58.17 1orm s TYR 28 Cb -0.37 -2.59 -0.05 0.00 0.42 0.00 0.00 41.96 39.37 1orm s TYR 28 CO 0.48 -0.37 0.21 1.03 0.64 0.00 0.00 175.55 177.54 1orm s ARG 29 N 1.93 4.17 -0.35 4.97 1.81 -1.26 -3.74 118.95 126.47 1orm s ARG 29 Ca 0.10 -0.12 -0.00 0.00 -1.72 0.00 0.00 55.73 53.99 1orm s ARG 29 Cb -0.17 -3.47 0.12 0.00 -0.45 0.00 0.00 34.95 30.98 1orm s ARG 29 CO 0.11 0.17 0.18 -0.47 -0.68 0.00 0.00 175.30 174.61 1orm s TYR 30 N 0.72 1.17 -0.05 -0.53 5.04 -1.26 -1.68 117.35 120.75 1orm s TYR 30 Ca 0.11 -1.72 -0.14 0.00 -2.44 0.00 0.00 57.07 52.88 1orm s TYR 30 Cb -0.13 -1.32 0.03 0.00 0.35 0.00 0.00 41.96 40.89 1orm s TYR 30 CO 0.02 -0.83 0.33 -2.00 -1.34 0.00 0.00 175.55 171.73 1orm s GLU 31 N 1.18 0.59 -0.39 4.97 -6.30 -1.26 -4.93 118.70 112.57 1orm s GLU 31 Ca 0.15 0.03 0.05 0.00 -2.50 0.00 0.00 54.97 52.70 1orm s GLU 31 Cb -0.21 0.27 0.32 0.00 0.00 0.00 0.00 34.13 34.51 1orm s GLU 31 CO -0.11 -0.14 1.27 -1.91 0.02 0.00 0.00 175.26 174.39 1orm n GLU 32 N 1.79 0.57 -2.83 4.30 2.13 -1.26 -4.32 120.64 121.02 1orm n GLU 32 Ca -0.19 -1.29 -0.05 0.00 0.66 0.00 0.00 57.16 56.29 1orm n GLU 32 Cb 0.56 -0.55 0.01 0.00 0.27 0.00 0.00 31.44 31.73 1orm n GLU 32 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1orm n ASP 33 N 0.38 -7.87 0.00 4.31 10.43 -1.26 -4.92 116.55 117.62 1orm n ASP 33 Ca -0.01 0.92 0.00 0.00 2.57 0.00 0.00 54.79 58.27 1orm n ASP 33 Cb 0.73 -5.12 0.00 0.00 1.84 0.00 0.00 41.12 38.58 1orm n ASP 33 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1orm n ASN 34 N 0.22 0.00 -3.69 -2.24 5.15 -1.26 -5.12 115.26 108.32 1orm n ASN 34 Ca 0.05 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.88 1orm n ASN 34 Cb 0.26 0.03 -0.15 0.00 -0.53 0.00 0.00 39.78 39.39 1orm n ASN 34 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1orm s SER 35 N -1.38 0.44 -0.79 1.20 0.15 -1.26 -5.04 113.70 107.02 1orm s SER 35 Ca 0.00 0.34 -0.06 0.00 0.70 0.00 0.00 55.95 56.92 1orm s SER 35 Cb 0.00 0.27 -0.12 0.00 -1.71 0.00 0.00 66.02 64.46 1orm s SER 35 CO 0.00 -0.21 2.61 -0.81 1.20 0.00 0.00 173.24 176.03 1orm n PRO 36 N 4.95 2.32 -2.87 5.44 -0.04 -1.26 -4.80 135.00 138.74 1orm n PRO 36 Ca -0.12 -1.41 -0.17 0.00 -0.04 0.00 0.00 63.50 61.76 1orm n PRO 36 Cb 0.50 -2.34 0.02 0.00 -0.04 0.00 0.00 33.50 31.65 1orm n PRO 36 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1orm n LEU 37 N 3.47 0.00 -2.04 1.53 7.99 -1.26 -4.93 117.00 121.76 1orm n LEU 37 Ca 0.50 -2.00 -0.03 0.00 -0.01 0.00 0.00 56.01 54.47 1orm n LEU 37 Cb 0.36 -0.16 0.06 0.00 -0.11 0.00 0.00 43.42 43.57 1orm n LEU 37 CO 0.55 -0.57 0.50 0.61 -1.51 0.00 0.00 177.39 176.96 1orm n GLY 38 N -0.05 1.21 0.00 -0.72 0.00 -1.26 -4.96 105.19 99.41 1orm n GLY 38 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1orm n GLY 38 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1orm n VAL 39 N -0.94 0.00 -2.56 1.61 3.14 -1.26 -4.97 118.33 113.35 1orm n VAL 39 Ca -0.17 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.20 1orm n VAL 39 Cb 0.76 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.57 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 -0.07 0.00 0.00 1.55 0.00 -1.11 -2.92 119.36 116.81 1orm n ILE 40 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 62.75 62.41 1orm n ILE 40 Cb 0.00 0.62 0.00 0.00 0.00 0.00 0.00 39.64 40.26 1orm n ILE 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1orm n GLY 41 N -0.40 4.92 2.90 4.50 0.00 -1.26 -4.30 105.19 111.56 1orm n GLY 41 Ca -0.08 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 1orm n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1orm s SER 42 N 0.00 0.13 -0.00 1.61 0.01 -1.26 0.11 113.70 114.30 1orm s SER 42 Ca 0.00 -0.10 -0.19 0.00 1.31 0.00 0.00 55.95 56.97 1orm s SER 42 Cb 0.00 0.01 -0.06 0.00 0.21 0.00 0.00 66.02 66.18 1orm s SER 42 CO 0.00 -0.04 0.54 0.12 0.41 0.00 0.00 173.24 174.27 1orm s PHE 43 N -0.26 3.70 -0.28 2.43 2.19 -0.57 -4.12 117.98 121.06 1orm s PHE 43 Ca -0.02 1.14 -0.22 0.00 0.33 0.00 0.00 56.93 58.16 1orm s PHE 43 Cb -0.02 -2.53 0.12 0.00 -1.31 0.00 0.00 43.02 39.28 1orm s PHE 43 CO -0.00 0.43 0.95 -0.08 1.83 0.00 0.00 175.22 178.35 1orm s THR 44 N -0.43 0.00 0.10 0.12 -1.32 -1.26 -2.84 115.64 110.02 1orm s THR 44 Ca 0.29 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.59 1orm s THR 44 Cb -0.18 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.85 1orm s THR 44 CO 0.16 0.00 0.44 -0.72 -2.21 0.00 0.00 174.62 172.29 1orm s TYR 45 N 0.61 -0.28 0.74 9.09 1.13 -1.26 -4.38 117.35 123.00 1orm s TYR 45 Ca -0.01 0.07 -0.07 0.00 -1.41 0.00 0.00 57.07 55.65 1orm s TYR 45 Cb -0.05 0.29 0.09 0.00 -1.10 0.00 0.00 41.96 41.19 1orm s TYR 45 CO -0.08 -0.68 1.05 0.95 -2.51 0.00 0.00 175.55 174.28 1orm s THR 46 N -3.35 2.22 0.34 -3.49 -4.23 -1.26 -4.27 115.64 101.60 1orm s THR 46 Ca -0.00 -0.29 -0.07 0.00 -1.18 0.00 0.00 61.69 60.15 1orm s THR 46 Cb 0.01 -2.93 0.02 0.00 1.34 0.00 0.00 72.50 70.93 1orm s THR 46 CO -0.09 0.00 0.56 -1.61 -0.54 0.00 0.00 174.62 172.94 1orm s GLU 47 N -5.32 1.95 2.30 3.99 2.02 -1.26 -4.94 118.70 117.44 1orm s GLU 47 Ca 0.63 -1.60 0.00 0.00 0.02 0.00 0.00 54.97 54.01 1orm s GLU 47 Cb -0.09 0.50 0.00 0.00 0.10 0.00 0.00 34.13 34.64 1orm s GLU 47 CO 0.46 -0.84 0.00 1.63 0.02 0.00 0.00 175.26 176.53 1orm n LYS 48 N -0.53 0.00 0.00 1.61 4.76 -1.26 -4.65 118.16 118.08 1orm n LYS 48 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1orm n LYS 48 Cb 0.61 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.80 1orm n LYS 48 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1orm n SER 49 N 4.36 0.00 -0.92 4.39 2.88 -1.26 -5.09 113.62 117.98 1orm n SER 49 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1orm n SER 49 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1orm n SER 49 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1orm n ARG 50 N -1.72 -2.60 0.18 -1.46 1.74 -1.26 -4.77 116.66 106.77 1orm n ARG 50 Ca 0.00 1.91 0.13 0.00 -0.77 0.00 0.00 57.85 59.12 1orm n ARG 50 Cb 0.00 -2.12 0.35 0.00 -1.02 0.00 0.00 32.46 29.67 1orm n ARG 50 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1orm h THR 51 N 1.25 0.00 -6.00 0.55 1.35 -1.92 -3.46 112.91 104.67 1orm h THR 51 Ca 0.00 -0.69 -0.30 0.00 -0.55 0.00 0.00 66.41 64.87 1orm h THR 51 Cb 0.00 1.66 -0.18 0.00 -1.73 0.00 0.00 68.15 67.91 1orm h THR 51 CO 0.00 0.00 -0.44 0.00 -0.25 0.00 0.00 175.52 174.83 1orm n ALA 52 N -1.97 -1.10 0.03 6.62 0.00 -1.26 -4.43 120.51 118.40 1orm n ALA 52 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1orm n ALA 52 Cb 0.44 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.97 -0.25 -0.57 0.00 2.88 -1.26 -4.86 113.62 107.59 1orm n SER 53 Ca 0.05 0.11 0.13 0.00 -1.33 0.00 0.00 58.87 57.84 1orm n SER 53 Cb 0.48 0.38 0.39 0.00 -0.75 0.00 0.00 64.21 64.72 1orm n SER 53 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1orm n SER 54 N -2.67 1.83 -2.95 -3.46 3.41 -1.26 -4.99 113.62 103.53 1orm n SER 54 Ca 0.00 -1.56 -0.05 0.00 -0.26 0.00 0.00 58.87 57.00 1orm n SER 54 Cb 0.00 0.03 0.01 0.00 -0.26 0.00 0.00 64.21 63.98 1orm n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1orm n GLY 55 N 1.24 -1.27 2.96 5.00 0.00 -1.26 -5.05 105.19 106.81 1orm n GLY 55 Ca 0.17 0.93 -0.13 0.00 0.00 0.00 0.00 46.02 46.98 1orm n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1orm s ASP 56 N -2.76 -0.11 -0.84 1.61 -0.00 -1.26 -5.07 116.67 108.24 1orm s ASP 56 Ca 0.14 0.37 -0.19 0.00 -0.00 0.00 0.00 52.55 52.87 1orm s ASP 56 Cb -0.04 0.26 0.12 0.00 -0.00 0.00 0.00 42.92 43.26 1orm s ASP 56 CO 0.76 -0.16 1.05 -0.47 -0.00 0.00 0.00 175.17 176.35 1orm s TYR 57 N 1.26 3.04 0.10 4.23 6.14 -1.26 -4.01 117.35 126.85 1orm s TYR 57 Ca -0.09 -1.20 -0.11 0.00 0.64 0.00 0.00 57.07 56.31 1orm s TYR 57 Cb -0.11 -4.25 -0.06 0.00 0.42 0.00 0.00 41.96 37.96 1orm s TYR 57 CO -0.07 -1.49 0.45 -0.80 0.64 0.00 0.00 175.55 174.28 1orm s ASN 58 N 3.60 6.70 -0.75 4.32 0.01 -1.26 -4.20 114.94 123.37 1orm s ASN 58 Ca 0.28 0.89 0.02 0.00 -0.71 0.00 0.00 52.86 53.34 1orm s ASN 58 Cb -0.09 -2.21 0.34 0.00 0.41 0.00 0.00 41.25 39.70 1orm s ASN 58 CO -0.04 0.15 1.38 2.29 -1.51 0.00 0.00 177.10 179.37 1orm n LYS 59 N 0.88 3.99 -1.79 -0.60 2.85 -1.26 -4.46 118.16 117.77 1orm n LYS 59 Ca -0.07 -4.62 -0.43 0.00 -1.05 0.00 0.00 58.31 52.14 1orm n LYS 59 Cb 0.52 -2.32 -0.03 0.00 -0.65 0.00 0.00 35.03 32.55 1orm n LYS 59 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1orm s ASN 60 N -2.51 5.64 -0.30 -5.58 0.01 -1.26 -4.69 114.94 106.25 1orm s ASN 60 Ca 0.46 1.60 0.02 0.00 -0.71 0.00 0.00 52.86 54.22 1orm s ASN 60 Cb 0.28 -2.52 0.15 0.00 0.41 0.00 0.00 41.25 39.57 1orm s ASN 60 CO -0.17 -1.86 0.37 -1.10 -1.51 0.00 0.00 177.10 172.83 1orm s GLN 61 N 6.06 0.42 0.11 -0.60 -0.21 -1.26 -4.79 119.66 119.40 1orm s GLN 61 Ca 0.91 -0.10 -0.01 0.00 0.02 0.00 0.00 55.36 56.18 1orm s GLN 61 Cb -0.28 -0.46 -0.04 0.00 1.00 0.00 0.00 33.01 33.22 1orm s GLN 61 CO 0.34 -1.06 0.29 0.71 -2.12 0.00 0.00 175.29 173.45 1orm s TYR 62 N 2.32 3.50 -0.40 0.91 1.51 -1.26 -4.06 117.35 119.87 1orm s TYR 62 Ca 0.11 0.34 0.07 0.00 -1.01 0.00 0.00 57.07 56.58 1orm s TYR 62 Cb -0.13 -1.84 0.24 0.00 -0.11 0.00 0.00 41.96 40.12 1orm s TYR 62 CO -0.27 0.51 0.50 0.66 -1.11 0.00 0.00 175.55 175.84 1orm n TYR 63 N 0.06 -0.38 -3.25 2.71 4.02 -1.26 -4.67 117.16 114.39 1orm n TYR 63 Ca -0.04 -3.54 -0.46 0.00 -0.01 0.00 0.00 57.90 53.85 1orm n TYR 63 Cb 0.52 -0.27 -0.01 0.00 -0.02 0.00 0.00 39.34 39.55 1orm n TYR 63 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1orm s GLY 64 N -1.04 2.70 -0.43 2.72 0.00 -1.26 -3.57 107.32 106.44 1orm s GLY 64 Ca 0.35 -3.40 0.07 0.00 0.00 0.00 0.00 44.72 41.75 1orm s GLY 64 CO -0.12 1.45 0.54 0.29 0.00 0.00 0.00 173.10 175.26 1orm n ILE 65 N 3.88 -0.28 -2.66 0.90 -0.00 -1.26 -4.47 119.36 115.48 1orm n ILE 65 Ca 0.20 -4.16 -0.02 0.00 -0.00 0.00 0.00 62.75 58.77 1orm n ILE 65 Cb 0.45 -1.96 0.12 0.00 -0.00 0.00 0.00 39.64 38.24 1orm n ILE 65 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1orm n THR 66 N 1.42 0.00 0.00 7.28 5.66 -1.17 -4.82 114.28 122.64 1orm n THR 66 Ca 0.23 -0.93 0.00 0.00 -3.05 0.00 0.00 64.05 60.30 1orm n THR 66 Cb 0.51 0.96 0.00 0.00 -1.55 0.00 0.00 70.33 70.25 1orm n THR 66 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1orm n ALA 67 N -1.43 0.00 0.00 1.79 0.00 -1.18 -4.47 120.51 115.22 1orm n ALA 67 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1orm n ALA 67 Cb 0.85 0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.33 1orm n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1orm n GLY 68 N -0.18 0.55 3.81 0.00 0.00 -1.26 -4.45 105.19 103.66 1orm n GLY 68 Ca 0.00 -2.32 -0.33 0.00 0.00 0.00 0.00 46.02 43.37 1orm n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1orm s PRO 69 N -0.54 3.47 0.27 1.61 0.04 -1.15 -2.76 135.00 135.94 1orm s PRO 69 Ca 0.00 1.20 0.02 0.00 0.04 0.00 0.00 61.00 62.26 1orm s PRO 69 Cb 0.00 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.50 1orm s PRO 69 CO 0.00 -0.69 0.15 0.00 0.04 0.00 0.00 177.00 176.50 1orm n ALA 70 N -1.82 0.37 -2.60 8.56 0.00 -1.26 -4.80 120.51 118.97 1orm n ALA 70 Ca 0.09 -1.13 -0.41 0.00 0.00 0.00 0.00 53.44 51.99 1orm n ALA 70 Cb 0.53 0.51 -0.07 0.00 0.00 0.00 0.00 19.45 20.42 1orm n ALA 70 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1orm s TYR 71 N -1.53 3.22 0.69 0.00 2.02 -1.26 -5.02 117.35 115.47 1orm s TYR 71 Ca 0.11 0.51 -0.17 0.00 -0.37 0.00 0.00 57.07 57.16 1orm s TYR 71 Cb -0.01 -2.91 0.02 0.00 -0.40 0.00 0.00 41.96 38.66 1orm s TYR 71 CO 0.07 -0.44 1.27 -0.98 -1.57 0.00 0.00 175.55 173.90 1orm s ARG 72 N 2.49 2.29 -0.18 -0.62 1.70 -1.26 -4.00 118.95 119.37 1orm s ARG 72 Ca 0.23 1.98 -0.40 0.00 -0.47 0.00 0.00 55.73 57.07 1orm s ARG 72 Cb -0.15 -1.83 -0.17 0.00 -0.57 0.00 0.00 34.95 32.24 1orm s ARG 72 CO 0.11 -1.77 1.57 0.44 -1.08 0.00 0.00 175.30 174.57 1orm n ILE 73 N -2.30 0.17 0.00 4.99 -6.64 -1.26 -4.22 119.36 110.09 1orm n ILE 73 Ca 0.15 -0.03 0.00 0.00 -1.77 0.00 0.00 62.75 61.10 1orm n ILE 73 Cb 0.49 -0.95 0.00 0.00 -1.44 0.00 0.00 39.64 37.74 1orm n ILE 73 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 1orm n ASN 74 N 4.18 0.00 -0.02 7.28 4.13 -1.26 -5.01 115.26 124.56 1orm n ASN 74 Ca 0.24 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.49 1orm n ASN 74 Cb 0.12 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.36 1orm n ASN 74 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 1orm h ASP 75 N 0.00 0.00 0.00 6.41 3.32 -1.93 -3.47 116.42 120.75 1orm h ASP 75 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1orm h ASP 75 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 1orm h ASP 75 CO 0.00 0.18 -0.20 -2.67 -1.72 0.00 0.00 179.24 174.82 1orm n TRP 76 N -2.84 -1.56 -1.44 4.55 2.14 -1.26 -5.14 117.44 111.90 1orm n TRP 76 Ca -0.01 -1.08 0.18 0.00 2.07 0.00 0.00 57.50 58.66 1orm n TRP 76 Cb 0.05 1.26 -0.06 0.00 -0.81 0.00 0.00 31.31 31.75 1orm n TRP 76 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1orm n ALA 77 N 1.56 -3.78 -2.87 -1.67 0.00 -1.26 -4.71 120.51 107.78 1orm n ALA 77 Ca 0.04 0.65 -0.38 0.00 0.00 0.00 0.00 53.44 53.75 1orm n ALA 77 Cb 0.68 -1.41 -0.12 0.00 0.00 0.00 0.00 19.45 18.60 1orm n ALA 77 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1orm s SER 78 N -7.11 5.55 -0.38 0.00 1.04 -1.26 -4.85 113.70 106.69 1orm s SER 78 Ca 0.00 -0.50 0.11 0.00 0.48 0.00 0.00 55.95 56.05 1orm s SER 78 Cb 0.00 -2.00 0.37 0.00 0.10 0.00 0.00 66.02 64.48 1orm s SER 78 CO 0.00 -0.18 0.91 2.30 0.98 0.00 0.00 173.24 177.25 1orm n ILE 79 N 4.98 0.09 -2.68 -1.02 -5.35 -1.26 -4.02 119.36 110.10 1orm n ILE 79 Ca -0.14 -3.34 -0.04 0.00 -0.27 0.00 0.00 62.75 58.97 1orm n ILE 79 Cb 0.49 0.42 0.04 0.00 -1.74 0.00 0.00 39.64 38.86 1orm n ILE 79 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1orm n TYR 80 N 0.16 -1.17 -2.51 4.28 9.36 -1.26 -4.70 117.16 121.33 1orm n TYR 80 Ca 0.15 -0.81 -0.02 0.00 3.32 0.00 0.00 57.90 60.54 1orm n TYR 80 Cb 0.71 1.16 0.05 0.00 -0.63 0.00 0.00 39.34 40.64 1orm n TYR 80 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1orm n GLY 81 N 2.31 1.50 3.10 2.98 0.00 -1.26 -4.63 105.19 109.19 1orm n GLY 81 Ca 0.10 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 1orm n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1orm s VAL 82 N -0.65 2.07 0.01 1.61 1.01 -1.26 -4.16 120.40 119.03 1orm s VAL 82 Ca 0.13 -1.10 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 1orm s VAL 82 Cb 0.30 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 1orm s VAL 82 CO -0.08 0.40 0.07 -0.69 0.00 0.00 0.00 175.10 174.79 1orm s VAL 83 N 1.25 0.09 -0.29 2.92 1.01 -1.26 -3.92 120.40 120.21 1orm s VAL 83 Ca 0.02 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.05 1orm s VAL 83 Cb -0.15 -0.36 0.13 0.00 0.00 0.00 0.00 36.38 36.00 1orm s VAL 83 CO -0.11 -0.43 0.90 -0.83 0.00 0.00 0.00 175.10 174.63 1orm s GLY 84 N -1.43 -0.18 -0.53 4.51 0.00 -1.26 -3.07 107.32 105.36 1orm s GLY 84 Ca -0.15 2.94 -0.18 0.00 0.00 0.00 0.00 44.72 47.33 1orm s GLY 84 CO 0.01 2.56 0.61 -1.34 0.00 0.00 0.00 173.10 174.94 1orm s VAL 85 N 1.46 4.92 1.10 1.40 -7.23 -1.23 -4.20 120.40 116.62 1orm s VAL 85 Ca -0.09 -0.76 -0.12 0.00 -1.81 0.00 0.00 61.98 59.20 1orm s VAL 85 Cb -0.04 -4.33 0.25 0.00 0.56 0.00 0.00 36.38 32.81 1orm s VAL 85 CO -0.16 -0.87 1.06 -0.83 -0.31 0.00 0.00 175.10 173.99 1orm s GLY 86 N 2.99 1.59 -0.32 2.32 0.00 -1.25 -4.08 107.32 108.57 1orm s GLY 86 Ca 0.12 0.09 0.03 0.00 0.00 0.00 0.00 44.72 44.96 1orm s GLY 86 CO 0.09 0.72 0.45 -0.47 0.00 0.00 0.00 173.10 173.90 1orm s TYR 87 N -2.51 -1.09 0.00 1.90 6.14 -1.26 -4.83 117.35 115.71 1orm s TYR 87 Ca 0.68 0.21 0.00 0.00 0.64 0.00 0.00 57.07 58.60 1orm s TYR 87 Cb -0.24 -0.08 0.00 0.00 0.42 0.00 0.00 41.96 42.06 1orm s TYR 87 CO 0.63 -1.02 0.00 0.41 0.64 0.00 0.00 175.55 176.21 1orm n GLY 88 N 5.06 0.29 3.26 8.97 0.00 -1.26 -4.44 105.19 117.06 1orm n GLY 88 Ca 0.04 -2.28 0.02 0.00 0.00 0.00 0.00 46.02 43.81 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 0.00 0.16 -2.60 1.61 4.81 -1.26 -4.62 118.16 116.26 1orm n LYS 89 Ca 0.00 -0.65 -0.41 0.00 -0.87 0.00 0.00 58.31 56.38 1orm n LYS 89 Cb 0.00 1.06 -0.03 0.00 0.02 0.00 0.00 35.03 36.08 1orm n LYS 89 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 1orm s PHE 90 N -2.23 2.46 0.00 5.64 5.36 -1.26 -4.47 117.98 123.47 1orm s PHE 90 Ca 0.24 -0.49 0.00 0.00 -0.96 0.00 0.00 56.93 55.73 1orm s PHE 90 Cb -0.01 -4.61 0.00 0.00 -0.34 0.00 0.00 43.02 38.06 1orm s PHE 90 CO -0.00 -1.96 0.00 0.94 -1.46 0.00 0.00 175.22 172.74 1orm n GLN 91 N 8.89 2.40 0.00 10.12 -0.06 -1.26 -5.09 117.38 132.39 1orm n GLN 91 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.16 1orm n GLN 91 Cb 0.50 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.68 1orm n GLN 91 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1orm n THR 92 N 0.00 0.00 -3.66 1.69 -2.24 -1.26 -4.03 114.28 104.78 1orm n THR 92 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1orm n THR 92 Cb 0.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 1orm n THR 92 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1orm s THR 93 N 1.75 -0.55 -0.12 4.28 -4.23 -1.26 -2.57 115.64 112.94 1orm s THR 93 Ca 0.00 0.15 0.16 0.00 -1.18 0.00 0.00 61.69 60.82 1orm s THR 93 Cb 0.00 -0.67 -0.08 0.00 1.34 0.00 0.00 72.50 73.09 1orm s THR 93 CO 0.00 0.06 1.03 -0.08 -0.54 0.00 0.00 174.62 175.10 1orm h GLU 94 N 8.00 0.00 0.00 3.99 4.57 -1.78 -3.44 114.58 125.91 1orm h GLU 94 Ca -0.19 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1orm h GLU 94 Cb 1.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1orm h GLU 94 CO 0.15 0.39 0.00 0.98 -1.18 0.00 0.00 179.01 179.35 1orm n TYR 95 N -3.02 0.00 -0.89 0.92 9.36 -1.26 -5.01 117.16 117.27 1orm n TYR 95 Ca -0.06 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 60.95 1orm n TYR 95 Cb 0.81 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.46 1orm n TYR 95 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1orm n PRO 96 N -0.35 2.27 0.02 2.98 -0.04 -1.26 -3.40 135.00 135.22 1orm n PRO 96 Ca 0.00 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 1orm n PRO 96 Cb 0.00 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 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 3.40 0.06 -2.70 0.52 5.66 -1.26 -5.01 114.28 114.96 1orm n THR 97 Ca 0.48 0.02 -0.06 0.00 -3.05 0.00 0.00 64.05 61.44 1orm n THR 97 Cb 0.38 -0.80 0.09 0.00 -1.55 0.00 0.00 70.33 68.45 1orm n THR 97 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1orm n TYR 98 N -2.80 -1.72 0.00 1.09 9.36 -1.22 -5.14 117.16 116.74 1orm n TYR 98 Ca 0.00 -1.48 0.00 0.00 3.32 0.00 0.00 57.90 59.74 1orm n TYR 98 Cb 0.12 1.43 0.00 0.00 -0.63 0.00 0.00 39.34 40.26 1orm n TYR 98 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1orm n LYS 99 N 0.20 0.00 -2.18 2.98 2.85 -1.22 -2.42 118.16 118.37 1orm n LYS 99 Ca -0.03 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.91 1orm n LYS 99 Cb 0.73 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 35.13 1orm n LYS 99 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1orm n ASN 100 N -1.63 6.00 -1.31 -5.58 5.15 -1.06 -2.39 115.26 114.45 1orm n ASN 100 Ca 0.00 -3.77 0.16 0.00 -0.60 0.00 0.00 54.58 50.37 1orm n ASN 100 Cb 0.00 -0.72 -0.06 0.00 -0.53 0.00 0.00 39.78 38.47 1orm n ASN 100 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1orm n ASP 101 N -0.54 -7.39 -3.60 1.20 9.92 -1.01 -4.73 116.55 110.39 1orm n ASP 101 Ca 0.46 0.84 -0.09 0.00 -0.53 0.00 0.00 54.79 55.48 1orm n ASP 101 Cb 0.50 -4.19 -0.05 0.00 -0.64 0.00 0.00 41.12 36.74 1orm n ASP 101 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1orm s THR 102 N -3.12 0.00 -0.33 -3.53 -1.32 -1.26 -4.80 115.64 101.28 1orm s THR 102 Ca 0.00 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.43 1orm s THR 102 Cb 0.00 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 70.24 1orm s THR 102 CO 0.00 0.00 1.19 -1.54 -2.21 0.00 0.00 174.62 172.06 1orm n SER 103 N 1.04 -1.30 -3.66 8.08 3.41 -1.26 -5.15 113.62 114.78 1orm n SER 103 Ca -0.10 -1.33 -0.14 0.00 -0.26 0.00 0.00 58.87 57.04 1orm n SER 103 Cb 0.58 0.68 -0.08 0.00 -0.26 0.00 0.00 64.21 65.13 1orm n SER 103 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1orm s ASP 104 N 0.32 -0.62 0.43 4.04 -1.08 -1.26 -5.15 116.67 113.35 1orm s ASP 104 Ca 0.25 1.15 0.06 0.00 -0.52 0.00 0.00 52.55 53.48 1orm s ASP 104 Cb 0.17 1.16 -0.07 0.00 -1.46 0.00 0.00 42.92 42.72 1orm s ASP 104 CO -0.09 -0.24 0.01 -0.72 0.52 0.00 0.00 175.17 174.65 1orm s TYR 105 N 0.17 2.35 -0.02 -5.34 -0.85 -1.26 -4.26 117.35 108.13 1orm s TYR 105 Ca -0.01 -0.75 -0.18 0.00 -0.52 0.00 0.00 57.07 55.61 1orm s TYR 105 Cb -0.04 -1.72 0.03 0.00 0.38 0.00 0.00 41.96 40.62 1orm s TYR 105 CO 0.02 0.38 0.39 0.20 -1.52 0.00 0.00 175.55 175.01 1orm s GLY 106 N -3.73 -0.24 -0.03 5.49 0.00 -1.26 -4.96 107.32 102.58 1orm s GLY 106 Ca 0.29 0.54 0.07 0.00 0.00 0.00 0.00 44.72 45.62 1orm s GLY 106 CO 0.15 0.30 -0.25 -0.11 0.00 0.00 0.00 173.10 173.19 1orm s PHE 107 N -1.28 2.38 0.31 1.90 -0.71 -1.26 -3.87 117.98 115.45 1orm s PHE 107 Ca -0.13 -0.53 0.08 0.00 -1.04 0.00 0.00 56.93 55.32 1orm s PHE 107 Cb -0.04 -1.54 -0.04 0.00 -1.21 0.00 0.00 43.02 40.19 1orm s PHE 107 CO 0.05 -0.09 0.14 -1.12 -1.34 0.00 0.00 175.22 172.87 1orm s SER 108 N -0.46 4.87 -0.30 1.98 0.01 -1.26 -4.47 113.70 114.06 1orm s SER 108 Ca 0.06 -0.63 -0.09 0.00 1.31 0.00 0.00 55.95 56.59 1orm s SER 108 Cb -0.11 -0.88 0.15 0.00 0.21 0.00 0.00 66.02 65.38 1orm s SER 108 CO 0.01 -0.21 0.72 -0.47 0.41 0.00 0.00 173.24 173.69 1orm s TYR 109 N -2.35 -1.25 0.00 2.43 5.04 -1.26 -4.71 117.35 115.25 1orm s TYR 109 Ca 0.36 1.92 0.00 0.00 -2.44 0.00 0.00 57.07 56.91 1orm s TYR 109 Cb -0.05 0.66 0.00 0.00 0.35 0.00 0.00 41.96 42.92 1orm s TYR 109 CO 0.23 -0.64 0.00 0.41 -1.34 0.00 0.00 175.55 174.21 1orm n GLY 110 N 5.36 5.39 3.83 8.97 0.00 -1.25 -3.40 105.19 124.09 1orm n GLY 110 Ca -0.09 -1.25 -0.05 0.00 0.00 0.00 0.00 46.02 44.62 1orm n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1orm s ALA 111 N -2.00 -1.32 -0.49 4.61 0.00 -1.26 -4.40 121.76 116.91 1orm s ALA 111 Ca 0.00 -0.33 0.07 0.00 0.00 0.00 0.00 51.96 51.70 1orm s ALA 111 Cb 0.00 0.72 0.26 0.00 0.00 0.00 0.00 23.12 24.09 1orm s ALA 111 CO 0.00 -1.03 0.63 0.41 0.00 0.00 0.00 175.76 175.76 1orm n GLY 112 N -0.56 3.69 3.65 0.00 0.00 -1.26 -4.68 105.19 106.03 1orm n GLY 112 Ca -0.05 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 1orm n GLY 112 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1orm s LEU 113 N -1.78 4.10 -0.22 0.99 0.20 -1.26 -4.66 118.68 116.04 1orm s LEU 113 Ca 0.37 1.16 -0.04 0.00 0.69 0.00 0.00 54.13 56.31 1orm s LEU 113 Cb 0.17 -3.30 0.12 0.00 -0.43 0.00 0.00 46.19 42.75 1orm s LEU 113 CO -0.07 -0.55 0.36 0.00 -0.29 0.00 0.00 176.35 175.80 1orm s GLN 114 N 2.87 0.31 -0.30 1.98 -2.07 -1.26 -3.97 119.66 117.22 1orm s GLN 114 Ca 0.38 0.59 -0.14 0.00 -1.82 0.00 0.00 55.36 54.37 1orm s GLN 114 Cb -0.15 -0.40 0.16 0.00 -1.09 0.00 0.00 33.01 31.53 1orm s GLN 114 CO 0.07 -0.56 0.93 0.12 -1.32 0.00 0.00 175.29 174.54 1orm s PHE 115 N 2.52 -0.80 0.00 9.60 2.19 -1.26 -5.05 117.98 125.18 1orm s PHE 115 Ca 0.09 1.38 0.00 0.00 0.33 0.00 0.00 56.93 58.73 1orm s PHE 115 Cb -0.15 0.48 0.00 0.00 -1.31 0.00 0.00 43.02 42.04 1orm s PHE 115 CO -0.14 -0.40 0.00 0.09 1.83 0.00 0.00 175.22 176.60 1orm n ASN 116 N 5.05 0.00 -4.56 6.13 4.13 -1.26 -5.05 115.26 119.70 1orm n ASN 116 Ca -0.10 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.76 1orm n ASN 116 Cb 0.52 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.73 1orm n ASN 116 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1orm s PRO 117 N -0.67 3.02 0.20 3.52 0.04 -1.26 -4.97 135.00 134.88 1orm s PRO 117 Ca 0.00 0.30 0.06 0.00 0.04 0.00 0.00 61.00 61.40 1orm s PRO 117 Cb 0.00 -4.24 -0.05 0.00 0.04 0.00 0.00 34.50 30.25 1orm s PRO 117 CO 0.00 -2.29 -0.11 -1.64 0.04 0.00 0.00 177.00 172.99 1orm s MET 118 N 6.14 1.29 0.32 4.56 -1.94 -1.26 -5.02 119.30 123.38 1orm s MET 118 Ca 0.52 -1.58 0.10 0.00 -1.71 0.00 0.00 55.69 53.02 1orm s MET 118 Cb -0.11 -0.96 0.95 0.00 2.01 0.00 0.00 34.83 36.72 1orm s MET 118 CO 0.20 0.12 1.64 1.05 -0.01 0.00 0.00 175.02 178.02 1orm h GLU 119 N 2.58 0.22 0.00 2.03 4.11 -2.04 -3.39 114.58 118.09 1orm h GLU 119 Ca -0.38 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.04 1orm h GLU 119 Cb 1.21 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1orm h GLU 119 CO 0.63 0.15 0.00 0.09 0.07 0.00 0.00 179.01 179.95 1orm n ASN 120 N -5.17 0.00 -4.04 3.06 3.02 -1.26 -5.17 115.26 105.70 1orm n ASN 120 Ca 0.28 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.75 1orm n ASN 120 Cb 0.88 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.95 1orm n ASN 120 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1orm s VAL 121 N 0.00 0.18 0.23 2.41 -7.23 -1.26 -4.63 120.40 110.10 1orm s VAL 121 Ca 0.00 -1.43 -0.03 0.00 -1.81 0.00 0.00 61.98 58.71 1orm s VAL 121 Cb 0.00 -0.99 -0.03 0.00 0.56 0.00 0.00 36.38 35.92 1orm s VAL 121 CO 0.00 -0.79 0.24 0.00 -0.31 0.00 0.00 175.10 174.24 1orm s ALA 122 N -2.87 0.86 0.10 1.32 0.00 -1.26 -4.56 121.76 115.36 1orm s ALA 122 Ca -0.03 -1.52 0.09 0.00 0.00 0.00 0.00 51.96 50.50 1orm s ALA 122 Cb 0.00 1.31 -0.04 0.00 0.00 0.00 0.00 23.12 24.40 1orm s ALA 122 CO -0.06 -0.67 -0.23 -0.48 0.00 0.00 0.00 175.76 174.32 1orm s LEU 123 N -3.14 2.29 -0.22 0.00 0.05 -1.26 -4.42 118.68 111.97 1orm s LEU 123 Ca 0.35 -0.69 0.02 0.00 0.05 0.00 0.00 54.13 53.86 1orm s LEU 123 Cb 0.05 -1.00 0.04 0.00 -2.05 0.00 0.00 46.19 43.22 1orm s LEU 123 CO 0.13 0.11 -0.15 -0.62 -0.55 0.00 0.00 176.35 175.26 1orm s ASP 124 N -1.86 3.83 -0.05 1.48 -1.08 -1.26 -4.41 116.67 113.32 1orm s ASP 124 Ca 0.09 -1.04 -0.22 0.00 -0.52 0.00 0.00 52.55 50.85 1orm s ASP 124 Cb -0.10 -1.52 -0.04 0.00 -1.46 0.00 0.00 42.92 39.80 1orm s ASP 124 CO 0.04 -0.10 0.66 0.12 0.52 0.00 0.00 175.17 176.41 1orm s PHE 125 N 1.19 3.61 -0.49 -5.34 2.19 -1.25 -4.36 117.98 113.53 1orm s PHE 125 Ca -0.02 1.22 0.03 0.00 0.33 0.00 0.00 56.93 58.49 1orm s PHE 125 Cb -0.17 -2.73 0.13 0.00 -1.31 0.00 0.00 43.02 38.94 1orm s PHE 125 CO -0.09 0.18 0.24 -1.54 1.83 0.00 0.00 175.22 175.84 1orm s SER 126 N 0.46 4.51 -0.84 6.13 1.04 -1.26 -4.44 113.70 119.30 1orm s SER 126 Ca 0.35 -2.82 -0.08 0.00 0.48 0.00 0.00 55.95 53.87 1orm s SER 126 Cb -0.18 -1.66 0.22 0.00 0.10 0.00 0.00 66.02 64.49 1orm s SER 126 CO 0.18 -0.28 0.75 -0.47 0.98 0.00 0.00 173.24 174.40 1orm s TYR 127 N -0.02 3.79 0.54 5.02 6.14 -1.26 -4.62 117.35 126.94 1orm s TYR 127 Ca 0.16 -2.47 -0.13 0.00 0.64 0.00 0.00 57.07 55.27 1orm s TYR 127 Cb -0.24 -3.58 -0.06 0.00 0.42 0.00 0.00 41.96 38.50 1orm s TYR 127 CO -0.02 -0.91 0.97 -1.21 0.64 0.00 0.00 175.55 175.02 1orm s GLU 128 N -0.40 3.77 -0.50 4.97 2.02 -1.25 -4.29 118.70 123.01 1orm s GLU 128 Ca 0.22 0.77 0.06 0.00 0.02 0.00 0.00 54.97 56.04 1orm s GLU 128 Cb -0.12 -2.16 0.22 0.00 0.10 0.00 0.00 34.13 32.17 1orm s GLU 128 CO -0.08 -0.36 0.80 0.94 0.02 0.00 0.00 175.26 176.59 1orm n GLN 129 N -2.05 0.67 -0.43 1.61 7.27 -1.22 -4.77 117.38 118.46 1orm n GLN 129 Ca 0.05 -1.93 -0.05 0.00 0.07 0.00 0.00 57.00 55.15 1orm n GLN 129 Cb 0.54 -1.47 0.03 0.00 2.41 0.00 0.00 30.24 31.76 1orm n GLN 129 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1orm n SER 130 N 2.17 0.05 -2.70 1.69 7.64 -1.26 -4.76 113.62 116.46 1orm n SER 130 Ca 0.13 -1.10 -0.06 0.00 1.01 0.00 0.00 58.87 58.85 1orm n SER 130 Cb 0.60 -0.17 0.11 0.00 -1.01 0.00 0.00 64.21 63.74 1orm n SER 130 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1orm n ARG 131 N -1.46 1.22 -2.58 1.43 0.63 -1.26 -4.71 116.66 109.93 1orm n ARG 131 Ca 0.03 -1.88 -0.41 0.00 -0.92 0.00 0.00 57.85 54.67 1orm n ARG 131 Cb 0.10 -0.09 -0.03 0.00 0.45 0.00 0.00 32.46 32.89 1orm n ARG 131 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1orm s ILE 132 N -0.11 3.92 -0.32 5.15 1.01 -1.26 -3.50 121.20 126.09 1orm s ILE 132 Ca 0.21 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 1orm s ILE 132 Cb 0.41 -5.02 0.00 0.00 0.01 0.00 0.00 42.46 37.86 1orm s ILE 132 CO -0.08 -1.90 0.28 -1.14 0.00 0.00 0.00 174.94 172.09 1orm n ARG 133 N 8.87 -1.86 -3.39 2.79 0.63 -1.26 -4.14 116.66 118.29 1orm n ARG 133 Ca 0.27 0.20 -0.23 0.00 -0.92 0.00 0.00 57.85 57.16 1orm n ARG 133 Cb 0.50 -3.31 0.02 0.00 0.45 0.00 0.00 32.46 30.12 1orm n ARG 133 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1orm n SER 134 N 0.13 -6.14 -4.09 6.15 2.88 -1.23 -5.01 113.62 106.31 1orm n SER 134 Ca -0.01 -0.23 -0.22 0.00 -1.33 0.00 0.00 58.87 57.08 1orm n SER 134 Cb 0.52 -2.92 -0.09 0.00 -0.75 0.00 0.00 64.21 60.96 1orm n SER 134 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1orm s VAL 135 N -2.34 0.55 -0.36 2.46 -7.23 -1.26 -5.02 120.40 107.20 1orm s VAL 135 Ca 0.20 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 1orm s VAL 135 Cb -0.03 -2.49 0.09 0.00 0.56 0.00 0.00 36.38 34.51 1orm s VAL 135 CO 0.84 0.00 0.09 -0.62 -0.31 0.00 0.00 175.10 175.11 1orm s ASP 136 N -3.48 4.97 -0.54 4.85 2.15 -1.26 -4.66 116.67 118.70 1orm s ASP 136 Ca 0.32 -1.91 -0.19 0.00 0.43 0.00 0.00 52.55 51.20 1orm s ASP 136 Cb 0.05 -1.72 0.08 0.00 -0.30 0.00 0.00 42.92 41.03 1orm s ASP 136 CO 0.16 -0.41 0.64 -0.69 -0.17 0.00 0.00 175.17 174.70 1orm s VAL 137 N 1.07 4.88 0.18 1.11 1.01 -1.26 -3.70 120.40 123.69 1orm s VAL 137 Ca 0.06 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.36 1orm s VAL 137 Cb -0.21 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 1orm s VAL 137 CO -0.05 -0.93 0.04 -0.83 0.00 0.00 0.00 175.10 173.33 1orm s GLY 138 N 3.10 1.71 -0.28 4.51 0.00 0.15 -4.33 107.32 112.16 1orm s GLY 138 Ca 0.13 -1.35 -0.25 0.00 0.00 0.00 0.00 44.72 43.26 1orm s GLY 138 CO 0.09 -1.36 1.08 -1.08 0.00 0.00 0.00 173.10 171.82 1orm s THR 139 N -1.79 0.00 -0.08 0.90 -1.32 -1.26 -2.62 115.64 109.46 1orm s THR 139 Ca 0.29 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.76 1orm s THR 139 Cb -0.09 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.92 1orm s THR 139 CO 0.20 0.00 -0.03 0.26 -2.21 0.00 0.00 174.62 172.84 1orm s TRP 140 N 0.25 0.95 -0.04 9.09 0.52 -1.26 -4.72 118.94 123.73 1orm s TRP 140 Ca 0.03 -0.36 0.02 0.00 0.02 0.00 0.00 56.10 55.81 1orm s TRP 140 Cb -0.05 -0.94 0.01 0.00 -1.15 0.00 0.00 33.47 31.34 1orm s TRP 140 CO -0.08 -0.38 -0.08 -1.50 0.02 0.00 0.00 176.95 174.93 1orm s ILE 141 N 1.80 0.78 -0.63 2.03 -1.16 -1.26 -2.82 121.20 119.94 1orm s ILE 141 Ca 0.04 -0.31 0.00 0.00 -0.51 0.00 0.00 60.65 59.87 1orm s ILE 141 Cb -0.12 -0.72 0.16 0.00 0.61 0.00 0.00 42.46 42.38 1orm s ILE 141 CO -0.06 0.26 0.43 0.00 -2.81 0.00 0.00 174.94 172.76 1orm s ALA 142 N 0.53 3.60 0.23 1.50 0.00 -1.26 -4.58 121.76 121.77 1orm s ALA 142 Ca -0.09 -3.41 -0.30 0.00 0.00 0.00 0.00 51.96 48.17 1orm s ALA 142 Cb -0.12 -2.47 -0.09 0.00 0.00 0.00 0.00 23.12 20.44 1orm s ALA 142 CO 0.01 -2.09 1.01 0.20 0.00 0.00 0.00 175.76 174.89 1orm s GLY 143 N 0.03 3.06 -0.13 0.00 0.00 -1.26 -4.48 107.32 104.53 1orm s GLY 143 Ca 0.19 0.72 -0.05 0.00 0.00 0.00 0.00 44.72 45.58 1orm s GLY 143 CO -0.05 1.37 0.28 0.14 0.00 0.00 0.00 173.10 174.84 1orm s VAL 144 N -0.92 -0.38 0.00 1.40 1.01 -1.26 -4.14 120.40 116.11 1orm s VAL 144 Ca 0.44 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1orm s VAL 144 Cb -0.28 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1orm s VAL 144 CO 0.35 0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1orm n GLY 145 N 5.19 2.15 3.12 4.51 0.00 -1.25 -4.48 105.19 114.42 1orm n GLY 145 Ca -0.09 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 1orm n GLY 145 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1orm s TYR 146 N -3.60 -0.31 0.25 1.61 -0.85 -1.26 -4.31 117.35 108.88 1orm s TYR 146 Ca 0.00 0.73 -0.27 0.00 -0.52 0.00 0.00 57.07 57.01 1orm s TYR 146 Cb 0.00 0.09 -0.09 0.00 0.38 0.00 0.00 41.96 42.34 1orm s TYR 146 CO 0.00 -0.17 0.90 -0.98 -1.52 0.00 0.00 175.55 173.78 1orm s ARG 147 N 0.52 4.69 0.00 -3.49 1.70 -1.26 -4.55 118.95 116.55 1orm s ARG 147 Ca -0.03 1.35 0.13 0.00 -0.47 0.00 0.00 55.73 56.71 1orm s ARG 147 Cb -0.05 -3.11 0.11 0.00 -0.57 0.00 0.00 34.95 31.33 1orm s ARG 147 CO -0.03 0.45 0.92 0.34 -1.08 0.00 0.00 175.30 175.90