#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1orm n THR 2 N 0.00 0.00 -3.17 0.00 -1.04 -1.24 -3.69 114.28 105.13 1orm n THR 2 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 1orm n THR 2 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 1orm n THR 2 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1orm s SER 3 N -4.00 -1.43 -0.31 8.00 0.15 -1.26 -4.39 113.70 110.46 1orm s SER 3 Ca 0.00 -0.04 -0.19 0.00 0.70 0.00 0.00 55.95 56.43 1orm s SER 3 Cb 0.00 1.94 0.03 0.00 -1.71 0.00 0.00 66.02 66.27 1orm s SER 3 CO 0.00 -0.28 0.38 0.41 1.20 0.00 0.00 173.24 174.95 1orm n THR 4 N 5.24 -6.07 -2.22 6.45 -1.04 -1.24 -4.00 114.28 111.39 1orm n THR 4 Ca 0.06 0.62 -0.16 0.00 -2.04 0.00 0.00 64.05 62.52 1orm n THR 4 Cb 0.54 -4.67 0.04 0.00 -1.82 0.00 0.00 70.33 64.42 1orm n THR 4 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1orm n VAL 5 N 0.31 2.15 -4.13 12.58 3.14 -1.20 0.22 118.33 131.40 1orm n VAL 5 Ca -0.01 -3.79 -0.09 0.00 -2.96 0.00 0.00 64.34 57.49 1orm n VAL 5 Cb 0.49 -0.44 -0.10 0.00 -1.06 0.00 0.00 33.84 32.73 1orm n VAL 5 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1orm s THR 6 N -4.26 0.30 0.00 1.55 -4.23 -1.26 -3.26 115.64 104.48 1orm s THR 6 Ca 0.44 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1orm s THR 6 Cb 0.38 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 72.47 1orm s THR 6 CO 0.01 -0.78 0.00 0.61 -0.54 0.00 0.00 174.62 173.92 1orm n GLY 7 N -0.01 3.92 0.00 3.99 0.00 -1.24 -3.24 105.19 108.61 1orm n GLY 7 Ca -0.11 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 3.72 3.22 -0.02 0.00 -1.26 0.19 105.19 111.03 1orm n GLY 8 Ca 0.00 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.32 2.75 -0.66 1.61 2.02 -1.26 -4.46 117.35 116.03 1orm s TYR 9 Ca 0.00 -1.22 -0.27 0.00 -0.37 0.00 0.00 57.07 55.21 1orm s TYR 9 Cb 0.00 -1.88 0.04 0.00 -0.40 0.00 0.00 41.96 39.72 1orm s TYR 9 CO 0.00 -0.57 1.18 0.00 -1.57 0.00 0.00 175.55 174.59 1orm s ALA 10 N 0.91 2.91 -0.27 3.71 0.00 -1.26 -4.63 121.76 123.13 1orm s ALA 10 Ca -0.04 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 50.69 1orm s ALA 10 Cb -0.15 -4.09 0.07 0.00 0.00 0.00 0.00 23.12 18.95 1orm s ALA 10 CO -0.03 -2.95 -0.02 -1.14 0.00 0.00 0.00 175.76 171.63 1orm s GLN 11 N 5.13 1.50 0.35 0.00 0.74 -1.26 -3.99 119.66 122.13 1orm s GLN 11 Ca 0.35 -1.18 0.05 0.00 0.05 0.00 0.00 55.36 54.63 1orm s GLN 11 Cb -0.09 -2.63 -0.03 0.00 1.10 0.00 0.00 33.01 31.35 1orm s GLN 11 CO 0.18 -0.71 0.18 -1.12 -0.55 0.00 0.00 175.29 173.27 1orm s SER 12 N 1.32 2.08 0.00 6.67 0.01 -1.26 -3.99 113.70 118.52 1orm s SER 12 Ca -0.01 -1.67 0.00 0.00 1.31 0.00 0.00 55.95 55.58 1orm s SER 12 Cb -0.19 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1orm s SER 12 CO -0.09 -0.96 0.00 -0.90 0.41 0.00 0.00 173.24 171.70 1orm n ASP 13 N -1.27 0.00 -4.85 2.44 5.75 -1.26 -4.28 116.55 113.07 1orm n ASP 13 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.54 1orm n ASP 13 Cb 0.64 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.70 1orm n ASP 13 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1orm s ALA 14 N -2.00 4.11 -0.24 2.12 0.00 -1.24 -4.56 121.76 119.96 1orm s ALA 14 Ca 0.00 -1.62 -0.07 0.00 0.00 0.00 0.00 51.96 50.27 1orm s ALA 14 Cb 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 1orm s ALA 14 CO 0.00 -0.30 0.06 -1.14 0.00 0.00 0.00 175.76 174.38 1orm s GLN 15 N -4.13 3.70 0.00 0.00 -0.44 -1.26 -3.15 119.66 114.38 1orm s GLN 15 Ca 0.39 -0.46 0.00 0.00 -2.50 0.00 0.00 55.36 52.78 1orm s GLN 15 Cb -0.01 -3.29 0.00 0.00 -1.64 0.00 0.00 33.01 28.07 1orm s GLN 15 CO 0.23 -0.11 0.00 0.41 0.50 0.00 0.00 175.29 176.32 1orm n GLY 16 N 4.67 3.09 0.52 2.59 0.00 -1.26 -4.80 105.19 109.99 1orm n GLY 16 Ca -0.16 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 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 0.00 0.32 -2.41 1.61 1.13 -1.26 -5.10 117.38 111.67 1orm n GLN 17 Ca 0.00 0.14 -0.03 0.00 -1.94 0.00 0.00 57.00 55.16 1orm n GLN 17 Cb 0.00 -1.05 0.00 0.00 0.11 0.00 0.00 30.24 29.31 1orm n GLN 17 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 1orm n MET 18 N -3.80 -1.98 -3.64 -1.09 1.56 -1.19 -5.00 117.12 101.99 1orm n MET 18 Ca -0.24 1.83 -0.10 0.00 -0.27 0.00 0.00 57.70 58.92 1orm n MET 18 Cb 0.60 -4.30 -0.07 0.00 2.15 0.00 0.00 33.22 31.60 1orm n MET 18 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1orm s ASN 19 N -1.75 -0.85 0.01 6.12 4.22 -1.26 -4.91 114.94 116.52 1orm s ASN 19 Ca 0.11 1.46 0.00 0.00 -2.14 0.00 0.00 52.86 52.29 1orm s ASN 19 Cb -0.03 1.41 0.00 0.00 1.28 0.00 0.00 41.25 43.91 1orm s ASN 19 CO 0.54 -0.24 0.00 1.17 -2.04 0.00 0.00 177.10 176.54 1orm n LYS 20 N 3.63 0.00 0.00 3.55 0.00 -1.26 -4.46 118.16 119.61 1orm n LYS 20 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.14 1orm n LYS 20 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.60 1orm n LYS 20 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1orm n MET 21 N -2.99 0.00 0.00 1.64 1.56 -1.26 -2.46 117.12 113.61 1orm n MET 21 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1orm n MET 21 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 1orm n MET 21 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1orm n GLY 22 N 0.00 0.09 0.00 -5.12 0.00 -1.26 -4.54 105.19 94.36 1orm n GLY 22 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.29 3.55 -0.02 0.00 -1.26 -4.28 105.19 100.89 1orm n GLY 23 Ca 0.00 0.82 -0.10 0.00 0.00 0.00 0.00 46.02 46.74 1orm n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1orm s PHE 24 N 0.12 -0.36 0.12 1.61 -0.71 -1.26 -4.49 117.98 113.00 1orm s PHE 24 Ca 0.00 0.50 0.01 0.00 -1.04 0.00 0.00 56.93 56.40 1orm s PHE 24 Cb 0.00 0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 42.25 1orm s PHE 24 CO 0.00 -0.41 -0.02 0.54 -1.34 0.00 0.00 175.22 173.99 1orm s ASN 25 N -1.58 0.94 -0.08 1.98 4.22 -1.26 -4.72 114.94 114.44 1orm s ASN 25 Ca 0.00 -1.10 -0.30 0.00 -2.14 0.00 0.00 52.86 49.32 1orm s ASN 25 Cb -0.01 0.15 0.07 0.00 1.28 0.00 0.00 41.25 42.75 1orm s ASN 25 CO -0.02 -0.56 0.69 -1.48 -2.04 0.00 0.00 177.10 173.69 1orm s LEU 26 N -3.07 -0.67 -0.11 3.54 0.05 -1.26 -4.42 118.68 112.73 1orm s LEU 26 Ca 0.18 0.81 0.03 0.00 0.05 0.00 0.00 54.13 55.20 1orm s LEU 26 Cb 0.06 2.52 0.00 0.00 -2.05 0.00 0.00 46.19 46.72 1orm s LEU 26 CO -0.01 -0.56 -0.23 -0.75 -0.55 0.00 0.00 176.35 174.25 1orm s LYS 27 N -0.98 3.05 -0.39 1.48 2.47 -1.26 -4.51 119.74 119.60 1orm s LYS 27 Ca -0.09 -0.86 -0.06 0.00 -1.56 0.00 0.00 55.97 53.39 1orm s LYS 27 Cb -0.01 -2.36 0.08 0.00 -1.46 0.00 0.00 37.83 34.08 1orm s LYS 27 CO 0.09 0.12 0.19 1.52 0.16 0.00 0.00 175.35 177.42 1orm s TYR 28 N 0.50 3.38 -1.23 4.03 1.13 -1.26 -4.80 117.35 119.10 1orm s TYR 28 Ca -0.15 -1.80 0.00 0.00 -1.41 0.00 0.00 57.07 53.71 1orm s TYR 28 Cb -0.17 -2.84 0.00 0.00 -1.10 0.00 0.00 41.96 37.85 1orm s TYR 28 CO 0.05 -0.86 0.00 -2.13 -2.51 0.00 0.00 175.55 170.10 1orm n ARG 29 N 4.78 -0.83 -3.63 -3.49 3.00 -1.26 -4.92 116.66 110.31 1orm n ARG 29 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.75 1orm n ARG 29 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.87 1orm n ARG 29 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 1orm s TYR 30 N -3.00 -0.02 -0.30 -0.14 1.13 -1.26 -4.11 117.35 109.65 1orm s TYR 30 Ca 0.00 0.01 -0.12 0.00 -1.41 0.00 0.00 57.07 55.55 1orm s TYR 30 Cb 0.00 0.50 0.18 0.00 -1.10 0.00 0.00 41.96 41.54 1orm s TYR 30 CO 0.00 -0.04 1.01 -1.83 -2.51 0.00 0.00 175.55 172.18 1orm s GLU 31 N -2.08 0.23 0.00 -3.49 -1.05 -1.26 -4.87 118.70 106.17 1orm s GLU 31 Ca 0.12 0.43 0.00 0.00 -0.15 0.00 0.00 54.97 55.37 1orm s GLU 31 Cb 0.00 0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 1orm s GLU 31 CO -0.03 -0.23 0.00 -1.91 0.95 0.00 0.00 175.26 174.04 1orm n GLU 32 N 5.39 0.00 0.00 -4.83 2.13 -1.26 -3.66 120.64 118.41 1orm n GLU 32 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1orm n GLU 32 Cb 0.53 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.24 1orm n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1orm n ASP 33 N 0.00 0.00 -2.71 4.31 2.03 -1.26 -5.00 116.55 113.93 1orm n ASP 33 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1orm n ASP 33 Cb 0.00 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 1orm n ASP 33 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1orm s ASN 34 N 0.00 -0.30 -0.32 1.67 -0.87 -1.26 -5.11 114.94 108.75 1orm s ASN 34 Ca 0.00 -0.27 -0.08 0.00 -1.57 0.00 0.00 52.86 50.94 1orm s ASN 34 Cb 0.00 0.38 0.19 0.00 -0.02 0.00 0.00 41.25 41.80 1orm s ASN 34 CO 0.00 -0.02 1.01 -0.55 -2.57 0.00 0.00 177.10 174.97 1orm s SER 35 N 1.38 -0.47 -0.96 -1.22 0.15 -1.26 -5.04 113.70 106.27 1orm s SER 35 Ca 0.20 -0.13 -0.07 0.00 0.70 0.00 0.00 55.95 56.65 1orm s SER 35 Cb 0.09 0.83 -0.10 0.00 -1.71 0.00 0.00 66.02 65.14 1orm s SER 35 CO -0.12 -0.06 2.55 -0.81 1.20 0.00 0.00 173.24 175.99 1orm n PRO 36 N 4.23 2.50 -3.64 5.44 -0.04 -1.26 -4.66 135.00 137.57 1orm n PRO 36 Ca 0.07 -1.55 -0.03 0.00 -0.04 0.00 0.00 63.50 61.94 1orm n PRO 36 Cb 0.61 -2.44 -0.07 0.00 -0.04 0.00 0.00 33.50 31.56 1orm n PRO 36 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1orm s LEU 37 N 0.10 -0.28 0.34 1.53 2.96 -1.26 -4.84 118.68 117.23 1orm s LEU 37 Ca 0.52 0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 54.90 1orm s LEU 37 Cb 0.16 1.47 0.00 0.00 0.50 0.00 0.00 46.19 48.32 1orm s LEU 37 CO -0.04 -0.08 0.46 -0.83 -1.32 0.00 0.00 176.35 174.54 1orm s GLY 38 N 0.60 1.56 0.05 7.98 0.00 -1.26 -4.97 107.32 111.27 1orm s GLY 38 Ca -0.01 -1.56 0.06 0.00 0.00 0.00 0.00 44.72 43.21 1orm s GLY 38 CO -0.12 -1.04 -0.17 0.14 0.00 0.00 0.00 173.10 171.92 1orm s VAL 39 N -3.08 1.36 -0.41 1.40 1.01 -1.26 -3.55 120.40 115.87 1orm s VAL 39 Ca 0.31 -1.12 0.05 0.00 0.00 0.00 0.00 61.98 61.22 1orm s VAL 39 Cb -0.00 -1.21 0.19 0.00 0.00 0.00 0.00 36.38 35.36 1orm s VAL 39 CO 0.21 0.07 0.40 2.30 0.00 0.00 0.00 175.10 178.08 1orm n ILE 40 N 1.80 -1.05 -3.92 2.22 -5.35 -1.26 -4.83 119.36 106.98 1orm n ILE 40 Ca -0.18 -3.55 -0.35 0.00 -0.27 0.00 0.00 62.75 58.40 1orm n ILE 40 Cb 0.54 -1.69 -0.14 0.00 -1.74 0.00 0.00 39.64 36.61 1orm n ILE 40 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1orm s GLY 41 N -0.31 1.60 0.42 3.28 0.00 -1.26 -4.32 107.32 106.72 1orm s GLY 41 Ca 0.34 -1.21 0.04 0.00 0.00 0.00 0.00 44.72 43.88 1orm s GLY 41 CO -0.17 0.44 0.04 -1.35 0.00 0.00 0.00 173.10 172.05 1orm s SER 42 N 1.45 3.42 -0.07 1.64 1.04 -1.26 -4.51 113.70 115.41 1orm s SER 42 Ca 0.05 -1.49 0.02 0.00 0.48 0.00 0.00 55.95 55.01 1orm s SER 42 Cb -0.14 0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.05 1orm s SER 42 CO -0.04 -0.67 -0.11 -0.36 0.98 0.00 0.00 173.24 173.04 1orm s PHE 43 N -2.97 1.39 -0.12 5.02 0.40 -1.26 -4.57 117.98 115.87 1orm s PHE 43 Ca 0.26 -0.52 0.02 0.00 -0.60 0.00 0.00 56.93 56.09 1orm s PHE 43 Cb 0.06 -1.05 -0.00 0.00 0.51 0.00 0.00 43.02 42.54 1orm s PHE 43 CO 0.13 -0.29 -0.19 0.99 0.70 0.00 0.00 175.22 176.56 1orm s THR 44 N 0.78 2.45 -0.14 0.64 2.01 -1.26 -4.54 115.64 115.57 1orm s THR 44 Ca -0.13 -0.87 -0.07 0.00 0.31 0.00 0.00 61.69 60.93 1orm s THR 44 Cb -0.15 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 1orm s THR 44 CO 0.02 0.54 0.12 -0.31 -0.69 0.00 0.00 174.62 174.30 1orm s TYR 45 N 0.48 3.48 -0.65 4.92 1.51 -1.26 -4.53 117.35 121.30 1orm s TYR 45 Ca -0.13 0.41 -0.21 0.00 -1.01 0.00 0.00 57.07 56.13 1orm s TYR 45 Cb -0.17 -2.00 0.09 0.00 -0.11 0.00 0.00 41.96 39.78 1orm s TYR 45 CO 0.05 0.55 0.85 0.99 -1.11 0.00 0.00 175.55 176.88 1orm s THR 46 N -0.52 4.59 0.10 -0.71 2.01 -1.26 -4.46 115.64 115.39 1orm s THR 46 Ca 0.12 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.34 1orm s THR 46 Cb -0.12 -4.60 0.02 0.00 0.01 0.00 0.00 72.50 67.81 1orm s THR 46 CO 0.02 -1.31 0.14 -0.62 -0.69 0.00 0.00 174.62 172.16 1orm n GLU 47 N 6.96 -0.07 -0.01 4.92 -0.58 -1.03 -4.69 120.64 126.15 1orm n GLU 47 Ca -0.04 -0.22 0.00 0.00 -0.42 0.00 0.00 57.16 56.48 1orm n GLU 47 Cb 0.44 -0.14 -0.00 0.00 -0.57 0.00 0.00 31.44 31.18 1orm n GLU 47 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1orm n LYS 48 N -1.28 -0.01 -2.18 3.49 5.02 -1.26 -4.49 118.16 117.45 1orm n LYS 48 Ca 0.02 0.01 -0.01 0.00 -2.02 0.00 0.00 58.31 56.30 1orm n LYS 48 Cb 0.06 -0.02 0.00 0.00 -0.02 0.00 0.00 35.03 35.05 1orm n LYS 48 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1orm n SER 49 N -3.37 -5.26 0.00 4.39 7.64 -1.26 -4.81 113.62 110.95 1orm n SER 49 Ca 0.00 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.52 1orm n SER 49 Cb 0.00 -3.36 0.00 0.00 -1.01 0.00 0.00 64.21 59.84 1orm n SER 49 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1orm n ARG 50 N 0.16 0.00 -1.60 1.43 0.63 -1.18 -4.49 116.66 111.61 1orm n ARG 50 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1orm n ARG 50 Cb 0.07 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.98 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 0.00 -5.31 -0.07 5.15 -1.04 -1.24 -4.97 114.28 106.80 1orm n THR 51 Ca 0.00 2.40 -0.08 0.00 -2.04 0.00 0.00 64.05 64.33 1orm n THR 51 Cb 0.00 -3.28 -0.03 0.00 -1.82 0.00 0.00 70.33 65.20 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 -0.67 1.08 0.04 2.41 0.00 -0.73 -4.96 120.51 117.69 1orm n ALA 52 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1orm n ALA 52 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1orm n ALA 52 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1orm n SER 53 N -4.30 -0.45 0.00 0.00 3.41 -1.26 -5.05 113.62 105.96 1orm n SER 53 Ca -0.12 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1orm n SER 53 Cb 0.45 0.61 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 1orm n SER 53 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1orm n SER 54 N -2.72 0.00 0.00 4.04 7.64 -1.26 -5.03 113.62 116.29 1orm n SER 54 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1orm n SER 54 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1orm n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1orm n GLY 55 N 0.00 0.00 3.12 0.23 0.00 -1.26 -5.13 105.19 102.15 1orm n GLY 55 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 -0.24 -0.37 1.61 1.01 -1.26 -4.97 116.67 112.45 1orm s ASP 56 Ca 0.00 0.02 -0.00 0.00 0.71 0.00 0.00 52.55 53.28 1orm s ASP 56 Cb 0.00 1.09 0.10 0.00 1.01 0.00 0.00 42.92 45.12 1orm s ASP 56 CO 0.00 -0.04 0.12 -0.31 0.21 0.00 0.00 175.17 175.14 1orm s TYR 57 N 2.90 3.61 -0.27 4.23 1.51 -1.26 -1.76 117.35 126.30 1orm s TYR 57 Ca 0.29 -2.57 -0.14 0.00 -1.01 0.00 0.00 57.07 53.64 1orm s TYR 57 Cb -0.00 -2.96 -0.04 0.00 -0.11 0.00 0.00 41.96 38.85 1orm s TYR 57 CO -0.22 -0.94 0.35 -0.80 -1.11 0.00 0.00 175.55 172.82 1orm s ASN 58 N 1.41 6.22 -1.03 2.29 0.01 -1.26 -4.30 114.94 118.28 1orm s ASN 58 Ca 0.07 0.23 -0.05 0.00 -0.71 0.00 0.00 52.86 52.40 1orm s ASN 58 Cb -0.21 -2.20 0.27 0.00 0.41 0.00 0.00 41.25 39.52 1orm s ASN 58 CO -0.05 -0.17 1.07 1.17 -1.51 0.00 0.00 177.10 177.61 1orm n LYS 59 N 5.30 3.41 -3.68 -0.60 4.81 -1.26 -3.11 118.16 123.02 1orm n LYS 59 Ca -0.09 -4.49 -0.38 0.00 -0.87 0.00 0.00 58.31 52.48 1orm n LYS 59 Cb 0.51 -2.49 -0.10 0.00 0.02 0.00 0.00 35.03 32.96 1orm n LYS 59 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1orm s ASN 60 N 0.21 5.44 -0.22 3.14 -0.87 -1.26 -3.85 114.94 117.53 1orm s ASN 60 Ca 0.30 -2.07 -0.05 0.00 -1.57 0.00 0.00 52.86 49.48 1orm s ASN 60 Cb -0.06 -1.90 0.12 0.00 -0.02 0.00 0.00 41.25 39.39 1orm s ASN 60 CO -0.06 -0.58 0.41 0.00 -2.57 0.00 0.00 177.10 174.29 1orm s GLN 61 N 1.10 0.34 0.00 -0.60 -2.07 -1.26 -4.73 119.66 112.45 1orm s GLN 61 Ca 0.08 0.79 0.00 0.00 -1.82 0.00 0.00 55.36 54.42 1orm s GLN 61 Cb -0.24 -0.05 0.00 0.00 -1.09 0.00 0.00 33.01 31.64 1orm s GLN 61 CO -0.03 -0.46 0.00 0.98 -1.32 0.00 0.00 175.29 174.46 1orm n TYR 62 N 5.38 0.00 -3.65 9.60 9.36 -1.26 -4.96 117.16 131.63 1orm n TYR 62 Ca -0.06 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.15 1orm n TYR 62 Cb 0.50 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.14 1orm n TYR 62 CO 0.00 0.00 0.00 1.52 0.22 0.00 0.00 176.86 178.60 1orm s TYR 63 N -2.27 -0.10 -0.09 2.98 -0.85 -1.26 -4.13 117.35 111.62 1orm s TYR 63 Ca 0.00 0.22 -0.22 0.00 -0.52 0.00 0.00 57.07 56.55 1orm s TYR 63 Cb 0.00 0.30 -0.04 0.00 0.38 0.00 0.00 41.96 42.60 1orm s TYR 63 CO 0.00 -0.05 0.64 0.20 -1.52 0.00 0.00 175.55 174.82 1orm s GLY 64 N 0.48 2.51 -1.00 5.49 0.00 -1.26 -4.74 107.32 108.80 1orm s GLY 64 Ca 0.01 0.01 -0.17 0.00 0.00 0.00 0.00 44.72 44.57 1orm s GLY 64 CO -0.13 1.08 1.19 -0.42 0.00 0.00 0.00 173.10 174.83 1orm s ILE 65 N 0.85 4.88 0.13 0.90 1.01 -1.26 -4.75 121.20 122.96 1orm s ILE 65 Ca 0.34 -1.94 -0.05 0.00 0.00 0.00 0.00 60.65 58.99 1orm s ILE 65 Cb -0.17 -4.80 -0.05 0.00 0.01 0.00 0.00 42.46 37.45 1orm s ILE 65 CO 0.15 -1.51 0.37 0.28 0.00 0.00 0.00 174.94 174.23 1orm s THR 66 N 2.18 5.17 0.00 2.92 -1.32 -1.26 -4.28 115.64 119.06 1orm s THR 66 Ca 0.35 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.86 1orm s THR 66 Cb -0.05 -3.62 0.00 0.00 -1.51 0.00 0.00 72.50 67.32 1orm s THR 66 CO -0.07 0.06 0.00 0.00 -2.21 0.00 0.00 174.62 172.40 1orm n ALA 67 N 0.15 0.00 -2.48 11.08 0.00 -1.26 -4.39 120.51 123.62 1orm n ALA 67 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.18 1orm n ALA 67 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 1orm n ALA 67 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1orm s GLY 68 N 0.00 1.94 0.76 0.00 0.00 -1.26 -4.86 107.32 103.90 1orm s GLY 68 Ca 0.00 -1.93 -0.11 0.00 0.00 0.00 0.00 44.72 42.67 1orm s GLY 68 CO 0.00 -1.95 1.08 2.56 0.00 0.00 0.00 173.10 174.80 1orm s PRO 69 N -3.60 2.40 -0.67 2.90 0.04 -1.26 -4.17 135.00 130.65 1orm s PRO 69 Ca 0.30 0.76 0.01 0.00 0.04 0.00 0.00 61.00 62.11 1orm s PRO 69 Cb -0.00 -1.94 0.17 0.00 0.04 0.00 0.00 34.50 32.76 1orm s PRO 69 CO 0.14 -1.43 0.47 0.00 0.04 0.00 0.00 177.00 176.22 1orm s ALA 70 N -3.11 3.69 -0.13 8.56 0.00 -1.23 -4.91 121.76 124.62 1orm s ALA 70 Ca 0.60 -3.51 -0.34 0.00 0.00 0.00 0.00 51.96 48.71 1orm s ALA 70 Cb -0.14 -2.46 0.14 0.00 0.00 0.00 0.00 23.12 20.66 1orm s ALA 70 CO 0.54 -2.09 1.33 1.52 0.00 0.00 0.00 175.76 177.06 1orm s TYR 71 N -0.67 -0.04 0.00 0.00 1.13 -1.26 -4.38 117.35 112.12 1orm s TYR 71 Ca 0.21 -0.00 0.00 0.00 -1.41 0.00 0.00 57.07 55.86 1orm s TYR 71 Cb -0.16 0.52 0.00 0.00 -1.10 0.00 0.00 41.96 41.22 1orm s TYR 71 CO -0.07 -0.14 0.00 0.54 -2.51 0.00 0.00 175.55 173.37 1orm n ARG 72 N -0.30 0.00 -3.16 -3.49 5.12 -1.26 -4.89 116.66 108.67 1orm n ARG 72 Ca -0.04 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.92 1orm n ARG 72 Cb 0.61 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.90 1orm n ARG 72 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 1orm s ILE 73 N 0.00 -0.90 -0.87 0.55 1.10 -1.26 -5.08 121.20 114.73 1orm s ILE 73 Ca 0.00 0.00 -0.23 0.00 -0.51 0.00 0.00 60.65 59.91 1orm s ILE 73 Cb 0.00 -1.00 -0.21 0.00 0.15 0.00 0.00 42.46 41.40 1orm s ILE 73 CO 0.00 0.00 2.46 -3.20 -2.11 0.00 0.00 174.94 172.09 1orm n ASN 74 N 5.43 0.40 -0.02 4.50 2.85 -1.26 -4.57 115.26 122.60 1orm n ASN 74 Ca -0.02 -0.37 -0.06 0.00 -0.11 0.00 0.00 54.58 54.02 1orm n ASN 74 Cb 0.51 -1.04 -0.02 0.00 1.24 0.00 0.00 39.78 40.47 1orm n ASN 74 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1orm n ASP 75 N 11.29 0.95 -2.90 1.20 -0.08 -1.26 -5.02 116.55 120.73 1orm n ASP 75 Ca 0.58 0.15 0.01 0.00 -1.51 0.00 0.00 54.79 54.02 1orm n ASP 75 Cb 0.21 -0.35 0.00 0.00 2.34 0.00 0.00 41.12 43.33 1orm n ASP 75 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1orm s TRP 76 N -2.21 -0.87 0.46 -0.67 0.52 -1.26 -5.14 118.94 109.76 1orm s TRP 76 Ca -0.11 0.08 0.00 0.00 0.02 0.00 0.00 56.10 56.09 1orm s TRP 76 Cb 0.03 0.16 0.00 0.00 -1.15 0.00 0.00 33.47 32.51 1orm s TRP 76 CO 0.14 -0.60 0.00 0.00 0.02 0.00 0.00 176.95 176.51 1orm n ALA 77 N 3.80 -3.60 -1.08 0.98 0.00 -1.26 -4.79 120.51 114.56 1orm n ALA 77 Ca 0.08 0.66 -0.37 0.00 0.00 0.00 0.00 53.44 53.81 1orm n ALA 77 Cb 0.61 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.72 1orm n ALA 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1orm n SER 78 N -4.22 -5.04 -4.57 0.00 2.88 -1.26 -4.98 113.62 96.42 1orm n SER 78 Ca -0.03 0.35 -0.24 0.00 -1.33 0.00 0.00 58.87 57.62 1orm n SER 78 Cb 0.64 -0.81 -0.08 0.00 -0.75 0.00 0.00 64.21 63.20 1orm n SER 78 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1orm s ILE 79 N -2.01 3.06 0.70 2.46 2.07 -1.26 -4.75 121.20 121.47 1orm s ILE 79 Ca 0.47 -2.08 -0.08 0.00 -1.41 0.00 0.00 60.65 57.54 1orm s ILE 79 Cb -0.29 -2.62 0.05 0.00 0.13 0.00 0.00 42.46 39.73 1orm s ILE 79 CO 0.76 -0.36 1.04 -0.72 -1.91 0.00 0.00 174.94 173.75 1orm s TYR 80 N -2.34 3.07 0.00 3.50 -0.85 -1.26 -4.77 117.35 114.69 1orm s TYR 80 Ca 0.30 0.65 0.00 0.00 -0.52 0.00 0.00 57.07 57.51 1orm s TYR 80 Cb -0.06 -3.13 0.00 0.00 0.38 0.00 0.00 41.96 39.15 1orm s TYR 80 CO 0.18 -1.31 0.00 0.41 -1.52 0.00 0.00 175.55 173.30 1orm n GLY 81 N -2.94 -1.43 3.73 5.49 0.00 -1.26 -5.04 105.19 103.74 1orm n GLY 81 Ca 0.07 0.53 -0.41 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 4.59 -0.43 1.61 1.01 -1.26 -4.62 120.40 121.30 1orm s VAL 82 Ca 0.00 1.97 0.02 0.00 0.00 0.00 0.00 61.98 63.97 1orm s VAL 82 Cb 0.00 -4.27 0.12 0.00 0.00 0.00 0.00 36.38 32.23 1orm s VAL 82 CO 0.00 0.31 0.20 -0.69 0.00 0.00 0.00 175.10 174.92 1orm s VAL 83 N 0.09 1.76 0.12 2.92 1.01 -1.26 -4.53 120.40 120.51 1orm s VAL 83 Ca 0.45 -2.58 -0.06 0.00 0.00 0.00 0.00 61.98 59.80 1orm s VAL 83 Cb -0.22 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 33.93 1orm s VAL 83 CO 0.28 -0.80 0.30 0.61 0.00 0.00 0.00 175.10 175.49 1orm n GLY 84 N 3.69 1.50 3.34 4.51 0.00 -1.26 -4.52 105.19 112.46 1orm n GLY 84 Ca 0.06 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 1orm n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1orm s VAL 85 N -2.62 -0.00 -0.13 1.61 0.11 -1.26 -3.72 120.40 114.38 1orm s VAL 85 Ca 0.06 0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 59.09 1orm s VAL 85 Cb -0.02 -0.64 0.05 0.00 -1.53 0.00 0.00 36.38 34.25 1orm s VAL 85 CO 0.04 0.01 0.09 -0.83 -3.33 0.00 0.00 175.10 171.08 1orm s GLY 86 N 0.49 0.28 -0.03 6.54 0.00 -1.26 -4.20 107.32 109.13 1orm s GLY 86 Ca -0.02 -0.10 -0.30 0.00 0.00 0.00 0.00 44.72 44.30 1orm s GLY 86 CO -0.02 1.66 1.19 -0.47 0.00 0.00 0.00 173.10 175.46 1orm s TYR 87 N 2.17 -0.09 0.00 1.90 6.14 -1.26 -4.54 117.35 121.66 1orm s TYR 87 Ca 0.03 -0.03 0.00 0.00 0.64 0.00 0.00 57.07 57.71 1orm s TYR 87 Cb -0.15 0.55 0.00 0.00 0.42 0.00 0.00 41.96 42.79 1orm s TYR 87 CO -0.07 -0.37 0.00 0.41 0.64 0.00 0.00 175.55 176.16 1orm n GLY 88 N -0.38 1.94 3.57 8.97 0.00 -1.26 -4.95 105.19 113.07 1orm n GLY 88 Ca -0.06 -0.58 -0.00 0.00 0.00 0.00 0.00 46.02 45.37 1orm n GLY 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1orm s LYS 89 N -0.31 0.29 0.00 1.61 -2.85 -1.26 -4.42 119.74 112.80 1orm s LYS 89 Ca 0.00 0.55 0.00 0.00 -1.00 0.00 0.00 55.97 55.52 1orm s LYS 89 Cb 0.00 0.15 0.00 0.00 -2.06 0.00 0.00 37.83 35.92 1orm s LYS 89 CO 0.00 -0.07 0.00 1.19 0.10 0.00 0.00 175.35 176.57 1orm n PHE 90 N 3.94 0.00 -3.49 1.78 3.72 -1.25 -4.92 117.46 117.23 1orm n PHE 90 Ca -0.16 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.22 1orm n PHE 90 Cb 0.56 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.05 1orm n PHE 90 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1orm s GLN 91 N 0.00 0.48 0.00 -1.08 -1.52 -1.26 -4.67 119.66 111.61 1orm s GLN 91 Ca 0.00 1.13 0.00 0.00 -1.95 0.00 0.00 55.36 54.54 1orm s GLN 91 Cb 0.00 0.50 0.00 0.00 -0.22 0.00 0.00 33.01 33.29 1orm s GLN 91 CO 0.00 -0.37 0.00 2.41 -0.25 0.00 0.00 175.29 177.08 1orm n THR 92 N 5.42 0.00 0.00 -0.19 -1.04 -1.14 -4.43 114.28 112.90 1orm n THR 92 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1orm n THR 92 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 1orm n THR 92 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1orm n THR 93 N 0.00 0.00 0.00 12.58 -1.04 -1.26 -3.05 114.28 121.51 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 -0.62 -0.64 0.00 0.00 175.07 173.81 1orm n GLU 94 N 0.00 0.00 0.00 -2.82 1.02 -1.26 -4.87 120.64 112.71 1orm n GLU 94 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1orm n GLU 94 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1orm n GLU 94 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1orm n TYR 95 N 0.00 0.00 -0.85 -0.32 4.01 -1.17 -5.02 117.16 113.81 1orm n TYR 95 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.56 1orm n TYR 95 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 38.95 1orm n TYR 95 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1orm n PRO 96 N -0.25 2.08 0.00 -0.72 -0.04 -1.26 -3.44 135.00 131.36 1orm n PRO 96 Ca 0.00 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 1orm n PRO 96 Cb 0.00 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 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 3.22 0.00 0.00 0.52 5.66 -1.26 -5.02 114.28 117.39 1orm n THR 97 Ca 0.44 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.44 1orm n THR 97 Cb 0.45 -0.60 0.00 0.00 -1.55 0.00 0.00 70.33 68.63 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 -2.46 0.00 -1.45 1.09 4.02 -1.22 -4.27 117.16 112.87 1orm n TYR 98 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.59 1orm n TYR 98 Cb 0.43 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.66 1orm n TYR 98 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1orm n LYS 99 N 0.00 0.84 -2.58 -0.72 5.02 -1.26 -2.90 118.16 116.57 1orm n LYS 99 Ca 0.00 -1.85 -0.37 0.00 -2.02 0.00 0.00 58.31 54.07 1orm n LYS 99 Cb 0.00 -3.40 0.01 0.00 -0.02 0.00 0.00 35.03 31.62 1orm n LYS 99 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1orm n ASN 100 N 13.65 6.58 -4.56 4.39 2.85 -1.26 -5.00 115.26 131.91 1orm n ASN 100 Ca 0.45 -3.72 -0.44 0.00 -0.11 0.00 0.00 54.58 50.77 1orm n ASN 100 Cb 0.45 -0.97 -0.04 0.00 1.24 0.00 0.00 39.78 40.46 1orm n ASN 100 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1orm n ASP 101 N -0.21 2.86 -2.68 1.20 5.68 -1.26 -4.71 116.55 117.43 1orm n ASP 101 Ca 0.44 0.14 -0.05 0.00 -0.50 0.00 0.00 54.79 54.82 1orm n ASP 101 Cb 0.31 -1.49 0.11 0.00 -1.14 0.00 0.00 41.12 38.90 1orm n ASP 101 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1orm n THR 102 N 7.69 0.00 -3.33 2.12 5.66 -1.26 -5.16 114.28 120.00 1orm n THR 102 Ca 0.34 -0.87 -0.18 0.00 -3.05 0.00 0.00 64.05 60.29 1orm n THR 102 Cb 0.41 1.18 -0.00 0.00 -1.55 0.00 0.00 70.33 70.37 1orm n THR 102 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1orm s SER 103 N -0.47 5.81 0.16 1.09 0.01 -1.26 -5.10 113.70 113.94 1orm s SER 103 Ca 0.21 -0.29 -0.00 0.00 1.31 0.00 0.00 55.95 57.17 1orm s SER 103 Cb 0.29 -1.01 -0.04 0.00 0.21 0.00 0.00 66.02 65.47 1orm s SER 103 CO -0.16 -0.54 0.06 -1.81 0.41 0.00 0.00 173.24 171.19 1orm s ASP 104 N -4.22 0.57 0.70 2.44 -0.00 -1.26 -5.08 116.67 109.81 1orm s ASP 104 Ca 0.48 -1.24 -0.07 0.00 -0.00 0.00 0.00 52.55 51.72 1orm s ASP 104 Cb -0.09 0.26 0.05 0.00 -0.00 0.00 0.00 42.92 43.14 1orm s ASP 104 CO 0.31 -0.71 1.02 -0.31 -0.00 0.00 0.00 175.17 175.49 1orm s TYR 105 N -3.95 2.98 0.29 4.23 2.02 -1.26 -4.56 117.35 117.10 1orm s TYR 105 Ca 0.27 0.53 0.04 0.00 -0.37 0.00 0.00 57.07 57.54 1orm s TYR 105 Cb 0.07 -3.16 -0.03 0.00 -0.40 0.00 0.00 41.96 38.43 1orm s TYR 105 CO 0.05 -1.36 0.22 0.20 -1.57 0.00 0.00 175.55 173.08 1orm s GLY 106 N -4.49 2.03 -0.04 0.71 0.00 -1.26 -5.02 107.32 99.25 1orm s GLY 106 Ca 0.59 -1.92 0.07 0.00 0.00 0.00 0.00 44.72 43.46 1orm s GLY 106 CO 0.46 -1.46 -0.25 -1.36 0.00 0.00 0.00 173.10 170.48 1orm s PHE 107 N -3.69 2.34 -0.30 1.90 0.40 -1.26 -4.49 117.98 112.88 1orm s PHE 107 Ca 0.40 -0.60 -0.01 0.00 -0.60 0.00 0.00 56.93 56.12 1orm s PHE 107 Cb 0.04 -1.53 0.06 0.00 0.51 0.00 0.00 43.02 42.10 1orm s PHE 107 CO 0.22 -0.14 -0.00 -1.12 0.70 0.00 0.00 175.22 174.87 1orm s SER 108 N -0.33 4.84 -0.14 1.36 0.01 -1.24 -4.62 113.70 113.58 1orm s SER 108 Ca 0.02 -1.36 -0.31 0.00 1.31 0.00 0.00 55.95 55.60 1orm s SER 108 Cb -0.12 -1.69 0.13 0.00 0.21 0.00 0.00 66.02 64.55 1orm s SER 108 CO 0.02 -0.27 1.07 -0.72 0.41 0.00 0.00 173.24 173.75 1orm s TYR 109 N 1.21 -0.25 0.00 2.43 -0.85 -1.26 -4.16 117.35 114.47 1orm s TYR 109 Ca -0.05 0.27 0.00 0.00 -0.52 0.00 0.00 57.07 56.77 1orm s TYR 109 Cb -0.20 0.50 0.00 0.00 0.38 0.00 0.00 41.96 42.64 1orm s TYR 109 CO -0.02 -0.32 0.00 0.41 -1.52 0.00 0.00 175.55 174.10 1orm n GLY 110 N 0.15 1.01 3.63 5.49 0.00 -1.23 -3.40 105.19 110.84 1orm n GLY 110 Ca -0.05 0.42 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.00 -1.81 -0.01 4.61 0.00 -1.26 -4.78 121.76 117.51 1orm s ALA 111 Ca 0.00 1.99 0.02 0.00 0.00 0.00 0.00 51.96 53.97 1orm s ALA 111 Cb 0.00 -1.18 -0.00 0.00 0.00 0.00 0.00 23.12 21.94 1orm s ALA 111 CO 0.00 -0.33 -0.07 0.20 0.00 0.00 0.00 175.76 175.56 1orm s GLY 112 N 0.31 0.38 -0.62 0.00 0.00 -1.26 -4.07 107.32 102.06 1orm s GLY 112 Ca 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 44.72 44.48 1orm s GLY 112 CO 0.00 -0.15 0.39 1.08 0.00 0.00 0.00 173.10 174.42 1orm s LEU 113 N 0.00 4.64 -0.88 0.66 2.01 -1.26 -4.57 118.68 119.29 1orm s LEU 113 Ca 0.00 -3.35 -0.21 0.00 0.01 0.00 0.00 54.13 50.59 1orm s LEU 113 Cb -0.05 -1.67 0.09 0.00 0.01 0.00 0.00 46.19 44.57 1orm s LEU 113 CO -0.00 -0.19 1.17 -1.10 1.01 0.00 0.00 176.35 177.25 1orm s GLN 114 N -0.75 3.47 0.30 1.70 -0.21 -1.26 -4.56 119.66 118.35 1orm s GLN 114 Ca 0.20 -1.34 0.03 0.00 0.02 0.00 0.00 55.36 54.27 1orm s GLN 114 Cb -0.17 -4.83 -0.04 0.00 1.00 0.00 0.00 33.01 28.97 1orm s GLN 114 CO -0.07 -1.90 0.17 0.12 -2.12 0.00 0.00 175.29 171.49 1orm s PHE 115 N 3.65 1.59 -0.37 0.91 5.36 -1.26 -4.64 117.98 123.22 1orm s PHE 115 Ca 0.34 -1.40 -0.11 0.00 -0.96 0.00 0.00 56.93 54.79 1orm s PHE 115 Cb -0.06 -0.82 0.02 0.00 -0.34 0.00 0.00 43.02 41.81 1orm s PHE 115 CO -0.04 -0.57 0.21 0.54 -1.46 0.00 0.00 175.22 173.90 1orm s ASN 116 N -3.36 5.76 0.03 6.13 2.20 -1.26 -4.36 114.94 120.08 1orm s ASN 116 Ca 0.36 -0.89 -0.18 0.00 -0.94 0.00 0.00 52.86 51.21 1orm s ASN 116 Cb 0.05 -2.04 -0.21 0.00 -2.00 0.00 0.00 41.25 37.04 1orm s ASN 116 CO 0.18 -0.36 1.16 1.55 -2.94 0.00 0.00 177.10 176.69 1orm h PRO 117 N 8.45 0.50 0.00 3.55 0.13 -1.97 -3.44 132.00 139.21 1orm h PRO 117 Ca -0.27 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.38 1orm h PRO 117 Cb 1.11 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1orm h PRO 117 CO 0.67 1.12 0.00 -0.12 -0.23 0.00 0.00 178.00 179.44 1orm n MET 118 N -4.17 0.00 0.00 0.86 1.56 -1.26 -5.06 117.12 109.06 1orm n MET 118 Ca -0.10 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.33 1orm n MET 118 Cb 0.68 -0.27 0.00 0.00 2.15 0.00 0.00 33.22 35.78 1orm n MET 118 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1orm n GLU 119 N -3.23 0.00 -2.82 2.12 4.71 -1.26 -5.06 120.64 115.10 1orm n GLU 119 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 1orm n GLU 119 Cb 0.00 -0.06 0.01 0.00 -1.01 0.00 0.00 31.44 30.39 1orm n GLU 119 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1orm s ASN 120 N -2.79 -1.08 -0.03 1.62 3.84 -1.26 -4.82 114.94 110.42 1orm s ASN 120 Ca 0.00 -1.07 0.04 0.00 0.21 0.00 0.00 52.86 52.04 1orm s ASN 120 Cb 0.00 1.40 -0.00 0.00 -0.55 0.00 0.00 41.25 42.10 1orm s ASN 120 CO 0.00 -0.06 -0.15 -0.69 -2.79 0.00 0.00 177.10 173.41 1orm s VAL 121 N 1.19 1.26 -0.01 -5.21 1.01 -1.26 -4.88 120.40 112.50 1orm s VAL 121 Ca 0.24 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 1orm s VAL 121 Cb 0.03 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1orm s VAL 121 CO -0.08 0.36 0.18 0.00 0.00 0.00 0.00 175.10 175.57 1orm s ALA 122 N -0.05 3.96 0.07 5.51 0.00 -1.22 -4.47 121.76 125.56 1orm s ALA 122 Ca -0.01 -0.76 -0.25 0.00 0.00 0.00 0.00 51.96 50.94 1orm s ALA 122 Cb -0.09 -1.88 0.06 0.00 0.00 0.00 0.00 23.12 21.21 1orm s ALA 122 CO 0.01 0.75 0.60 -0.48 0.00 0.00 0.00 175.76 176.64 1orm s LEU 123 N -1.95 -0.45 -0.05 0.00 2.34 -1.26 -3.63 118.68 113.69 1orm s LEU 123 Ca 0.27 0.24 0.01 0.00 0.06 0.00 0.00 54.13 54.72 1orm s LEU 123 Cb -0.13 2.45 0.02 0.00 -0.56 0.00 0.00 46.19 47.97 1orm s LEU 123 CO 0.19 -0.80 -0.06 -1.81 -1.06 0.00 0.00 176.35 172.81 1orm s ASP 124 N -2.11 1.07 -0.95 1.48 1.11 -1.26 -4.28 116.67 111.73 1orm s ASP 124 Ca -0.04 -0.16 -0.08 0.00 0.18 0.00 0.00 52.55 52.45 1orm s ASP 124 Cb -0.01 -0.50 0.24 0.00 1.07 0.00 0.00 42.92 43.72 1orm s ASP 124 CO -0.04 -0.03 0.89 0.12 1.18 0.00 0.00 175.17 177.29 1orm s PHE 125 N 0.79 3.98 -0.14 4.23 2.19 -1.26 -4.10 117.98 123.68 1orm s PHE 125 Ca -0.12 -2.63 -0.05 0.00 0.33 0.00 0.00 56.93 54.46 1orm s PHE 125 Cb -0.14 -3.62 0.02 0.00 -1.31 0.00 0.00 43.02 37.97 1orm s PHE 125 CO 0.01 -0.89 0.11 0.45 1.83 0.00 0.00 175.22 176.72 1orm n SER 126 N 2.95 -4.46 -2.45 6.13 2.88 -1.24 -4.89 113.62 112.54 1orm n SER 126 Ca 0.20 1.15 -0.11 0.00 -1.33 0.00 0.00 58.87 58.78 1orm n SER 126 Cb 0.40 -3.85 0.04 0.00 -0.75 0.00 0.00 64.21 60.05 1orm n SER 126 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1orm n TYR 127 N 1.70 1.95 -3.65 0.66 4.11 -1.26 -4.32 117.16 116.36 1orm n TYR 127 Ca -0.18 -2.17 -0.05 0.00 -0.00 0.00 0.00 57.90 55.49 1orm n TYR 127 Cb 0.35 -0.28 -0.06 0.00 -0.00 0.00 0.00 39.34 39.34 1orm n TYR 127 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.86 174.86 1orm s GLU 128 N -3.70 0.61 -0.02 -3.48 2.12 -1.26 -3.55 118.70 109.41 1orm s GLU 128 Ca 0.38 1.26 0.02 0.00 0.36 0.00 0.00 54.97 56.99 1orm s GLU 128 Cb 0.36 0.40 0.00 0.00 0.26 0.00 0.00 34.13 35.16 1orm s GLU 128 CO -0.00 -0.18 -0.08 -0.65 -0.54 0.00 0.00 175.26 173.82 1orm s GLN 129 N 2.13 0.81 -0.01 4.30 -1.52 -1.22 -3.99 119.66 120.17 1orm s GLN 129 Ca -0.08 -0.25 0.05 0.00 -1.95 0.00 0.00 55.36 53.13 1orm s GLN 129 Cb -0.08 -0.78 -0.03 0.00 -0.22 0.00 0.00 33.01 31.90 1orm s GLN 129 CO -0.19 0.09 -0.16 -1.12 -0.25 0.00 0.00 175.29 173.66 1orm s SER 130 N 0.21 3.88 0.30 5.90 0.01 -1.26 -4.59 113.70 118.15 1orm s SER 130 Ca -0.03 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1orm s SER 130 Cb -0.08 -0.73 0.00 0.00 0.21 0.00 0.00 66.02 65.42 1orm s SER 130 CO 0.00 0.31 0.00 0.54 0.41 0.00 0.00 173.24 174.50 1orm n ARG 131 N 2.02 -0.73 -2.85 12.44 1.74 -1.22 -3.90 116.66 124.16 1orm n ARG 131 Ca -0.17 0.48 -0.42 0.00 -0.77 0.00 0.00 57.85 56.97 1orm n ARG 131 Cb 0.52 -0.88 0.01 0.00 -1.02 0.00 0.00 32.46 31.09 1orm n ARG 131 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1orm n ILE 132 N -1.63 5.43 0.00 0.55 5.41 -1.26 -4.78 119.36 123.08 1orm n ILE 132 Ca 0.00 -5.79 0.00 0.00 1.00 0.00 0.00 62.75 57.96 1orm n ILE 132 Cb 0.16 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 37.11 1orm n ILE 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1orm n ARG 133 N 1.24 0.00 -0.27 0.38 1.74 -1.25 -4.68 116.66 113.81 1orm n ARG 133 Ca 0.32 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.44 1orm n ARG 133 Cb 0.32 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 31.85 1orm n ARG 133 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1orm n SER 134 N 2.87 -0.30 -3.88 0.55 7.64 -1.26 -2.59 113.62 116.64 1orm n SER 134 Ca 0.00 1.29 -0.30 0.00 1.01 0.00 0.00 58.87 60.87 1orm n SER 134 Cb 0.00 -0.37 -0.14 0.00 -1.01 0.00 0.00 64.21 62.68 1orm n SER 134 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1orm s VAL 135 N -5.91 2.07 -0.32 0.44 1.01 -1.26 -4.83 120.40 111.60 1orm s VAL 135 Ca -0.11 -2.76 -0.22 0.00 0.00 0.00 0.00 61.98 58.89 1orm s VAL 135 Cb 0.19 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 1orm s VAL 135 CO 0.58 -0.77 0.71 -0.62 0.00 0.00 0.00 175.10 174.99 1orm s ASP 136 N 0.28 6.56 -0.44 3.32 2.15 -1.07 -3.46 116.67 124.02 1orm s ASP 136 Ca 0.15 0.49 0.05 0.00 0.43 0.00 0.00 52.55 53.68 1orm s ASP 136 Cb -0.23 -2.37 0.18 0.00 -0.30 0.00 0.00 42.92 40.20 1orm s ASP 136 CO -0.04 -0.57 0.47 0.52 -0.17 0.00 0.00 175.17 175.38 1orm n VAL 137 N 5.51 -0.85 0.00 1.11 0.31 -1.26 -3.62 118.33 119.54 1orm n VAL 137 Ca 0.01 -2.84 0.00 0.00 -0.01 0.00 0.00 64.34 61.50 1orm n VAL 137 Cb 0.48 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 1orm n VAL 137 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1orm n GLY 138 N 2.69 3.66 3.61 2.92 0.00 -1.26 -4.20 105.19 112.61 1orm n GLY 138 Ca 0.26 -1.40 -0.04 0.00 0.00 0.00 0.00 46.02 44.83 1orm n GLY 138 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1orm s THR 139 N 4.30 0.00 -0.29 2.61 -1.32 -1.26 -4.57 115.64 115.12 1orm s THR 139 Ca 0.00 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.26 1orm s THR 139 Cb 0.00 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.12 1orm s THR 139 CO 0.00 0.00 1.03 -1.66 -2.21 0.00 0.00 174.62 171.78 1orm s TRP 140 N -1.85 -0.49 0.00 9.09 1.48 -1.26 -3.70 118.94 122.21 1orm s TRP 140 Ca 0.08 1.11 0.00 0.00 -1.06 0.00 0.00 56.10 56.23 1orm s TRP 140 Cb -0.01 0.37 0.00 0.00 -1.16 0.00 0.00 33.47 32.67 1orm s TRP 140 CO -0.05 -0.24 0.00 1.51 -4.06 0.00 0.00 176.95 174.12 1orm n ILE 141 N 2.70 0.00 -3.69 0.66 0.13 -1.26 -4.54 119.36 113.37 1orm n ILE 141 Ca -0.14 0.00 -0.35 0.00 -1.10 0.00 0.00 62.75 61.16 1orm n ILE 141 Cb 0.57 0.00 -0.08 0.00 -0.84 0.00 0.00 39.64 39.29 1orm n ILE 141 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1orm s ALA 142 N -1.00 4.08 0.61 1.51 0.00 -1.26 -4.43 121.76 121.27 1orm s ALA 142 Ca 0.00 -3.75 -0.19 0.00 0.00 0.00 0.00 51.96 48.02 1orm s ALA 142 Cb 0.00 -2.71 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 1orm s ALA 142 CO 0.00 -2.14 1.31 0.20 0.00 0.00 0.00 175.76 175.14 1orm s GLY 143 N -0.19 2.87 -0.30 0.00 0.00 -1.26 -4.73 107.32 103.71 1orm s GLY 143 Ca 0.25 1.25 -0.17 0.00 0.00 0.00 0.00 44.72 46.06 1orm s GLY 143 CO -0.11 1.71 1.12 0.54 0.00 0.00 0.00 173.10 176.36 1orm s VAL 144 N -1.37 -0.25 0.00 1.40 0.11 0.50 -4.33 120.40 116.46 1orm s VAL 144 Ca 0.79 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.84 1orm s VAL 144 Cb -0.38 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.47 1orm s VAL 144 CO 0.42 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.80 1orm n GLY 145 N 4.55 0.97 3.26 6.54 0.00 -1.20 -3.72 105.19 115.59 1orm n GLY 145 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 1orm n GLY 145 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1orm s TYR 146 N 3.36 1.29 -0.19 1.61 2.02 0.60 -4.77 117.35 121.28 1orm s TYR 146 Ca 0.00 -0.97 0.01 0.00 -0.37 0.00 0.00 57.07 55.74 1orm s TYR 146 Cb 0.00 -0.73 0.03 0.00 -0.40 0.00 0.00 41.96 40.86 1orm s TYR 146 CO 0.00 -0.14 -0.15 -0.98 -1.57 0.00 0.00 175.55 172.70 1orm s ARG 147 N -3.89 2.52 0.00 -0.62 1.70 -1.26 -3.22 118.95 114.18 1orm s ARG 147 Ca 0.24 -0.87 0.00 0.00 -0.47 0.00 0.00 55.73 54.63 1orm s ARG 147 Cb 0.06 -2.51 0.00 0.00 -0.57 0.00 0.00 34.95 31.93 1orm s ARG 147 CO 0.05 -0.33 0.00 0.34 -1.08 0.00 0.00 175.30 174.28