#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wro s ILE 2 N 0.00 4.45 0.11 2.02 -1.09 -0.87 -4.83 121.20 120.99 2wro s ILE 2 Ca 0.00 0.40 -0.26 0.00 -2.23 0.00 0.00 60.65 58.56 2wro s ILE 2 Cb 0.00 -3.74 0.07 0.00 -1.58 0.00 0.00 42.46 37.21 2wro s ILE 2 CO 0.00 -0.84 0.99 0.00 -1.23 0.00 0.00 174.94 173.86 2wro s GLN 3 N -4.99 1.06 -0.37 2.79 -2.07 -1.26 -2.34 119.66 112.47 2wro s GLN 3 Ca 0.52 -0.57 -0.37 0.00 -1.82 0.00 0.00 55.36 53.12 2wro s GLN 3 Cb -0.11 0.37 -0.13 0.00 -1.09 0.00 0.00 33.01 32.06 2wro s GLN 3 CO 0.48 -0.48 2.15 -2.30 -1.32 0.00 0.00 175.29 173.82 2wro n PRO 4 N -0.44 0.87 0.00 9.60 -0.02 -1.26 -1.11 135.00 142.64 2wro n PRO 4 Ca -0.07 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2wro n PRO 4 Cb 0.61 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 2wro n PRO 4 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2wro n GLN 5 N 7.88 0.00 -3.32 -0.52 -0.06 -0.87 -4.98 117.38 115.51 2wro n GLN 5 Ca 0.43 0.00 -0.38 0.00 -2.00 0.00 0.00 57.00 55.05 2wro n GLN 5 Cb 0.17 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.28 2wro n GLN 5 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2wro s THR 6 N -2.00 5.16 0.05 1.69 2.01 -0.27 -4.79 115.64 117.49 2wro s THR 6 Ca 0.00 0.85 -0.25 0.00 0.31 0.00 0.00 61.69 62.60 2wro s THR 6 Cb 0.00 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 2wro s THR 6 CO 0.00 0.24 0.77 -0.31 -0.69 0.00 0.00 174.62 174.64 2wro s TYR 7 N 1.26 3.74 -0.14 4.92 1.51 -1.25 -2.52 117.35 124.86 2wro s TYR 7 Ca 0.22 1.48 -0.04 0.00 -1.01 0.00 0.00 57.07 57.73 2wro s TYR 7 Cb -0.15 -2.83 0.07 0.00 -0.11 0.00 0.00 41.96 38.94 2wro s TYR 7 CO 0.09 0.27 0.23 -0.48 -1.11 0.00 0.00 175.55 174.54 2wro s LEU 8 N -0.04 -0.19 0.61 -1.29 -0.00 0.26 -4.85 118.68 113.18 2wro s LEU 8 Ca 0.39 0.27 -0.14 0.00 -0.00 0.00 0.00 54.13 54.65 2wro s LEU 8 Cb -0.21 0.50 -0.12 0.00 -0.00 0.00 0.00 46.19 46.36 2wro s LEU 8 CO 0.23 -0.27 -0.38 1.21 -0.00 0.00 0.00 176.35 177.14 2wro n GLU 9 N 5.33 0.00 -4.40 1.48 4.07 -1.11 -3.46 120.64 122.56 2wro n GLU 9 Ca -0.05 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.70 2wro n GLU 9 Cb 0.50 -0.80 -0.11 0.00 -0.06 0.00 0.00 31.44 30.97 2wro n GLU 9 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2wro s VAL 10 N -1.61 4.12 -0.37 6.31 -7.23 -1.26 -2.35 120.40 118.02 2wro s VAL 10 Ca 0.39 -0.30 0.23 0.00 -1.81 0.00 0.00 61.98 60.48 2wro s VAL 10 Cb -0.27 -2.76 0.07 0.00 0.56 0.00 0.00 36.38 33.99 2wro s VAL 10 CO 0.60 0.56 1.21 0.00 -0.31 0.00 0.00 175.10 177.16 2wro h ALA 11 N 5.74 0.61 -3.02 1.32 0.00 -1.64 -3.47 119.26 118.79 2wro h ALA 11 Ca -0.44 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 53.84 2wro h ALA 11 Cb 1.19 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 2wro h ALA 11 CO 0.58 0.00 -0.54 0.16 0.00 0.00 0.00 179.25 179.44 2wro s ASP 12 N -5.21 6.00 0.00 0.00 3.84 -1.25 0.81 116.67 120.87 2wro s ASP 12 Ca 0.02 0.16 0.00 0.00 -0.00 0.00 0.00 52.55 52.74 2wro s ASP 12 Cb 0.10 -1.76 0.00 0.00 -1.38 0.00 0.00 42.92 39.88 2wro s ASP 12 CO 0.75 0.18 0.66 -0.46 -0.00 0.00 0.00 175.17 176.31 2wro n ASN 13 N 0.45 1.86 0.00 2.11 0.23 -0.36 -3.97 115.26 115.58 2wro n ASN 13 Ca -0.07 -1.24 0.04 0.00 -0.53 0.00 0.00 54.58 52.78 2wro n ASN 13 Cb 0.51 -0.36 0.19 0.00 -2.08 0.00 0.00 39.78 38.05 2wro n ASN 13 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 2wro n THR 14 N 1.19 1.19 0.00 5.53 -1.04 -1.26 -4.79 114.28 115.09 2wro n THR 14 Ca 0.00 0.30 0.00 0.00 -2.04 0.00 0.00 64.05 62.31 2wro n THR 14 Cb 0.23 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.59 2wro n THR 14 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wro n GLY 15 N -0.60 3.08 3.55 3.41 0.00 -1.25 -3.96 105.19 109.41 2wro n GLY 15 Ca 0.03 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 2wro n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wro n ALA 16 N 0.00 -0.53 -2.70 4.61 0.00 -1.26 -2.95 120.51 117.68 2wro n ALA 16 Ca 0.00 0.20 0.01 0.00 0.00 0.00 0.00 53.44 53.65 2wro n ALA 16 Cb 0.00 -1.96 0.04 0.00 0.00 0.00 0.00 19.45 17.53 2wro n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wro n ARG 17 N 0.28 1.09 0.00 0.00 5.12 -0.15 -4.70 116.66 118.30 2wro n ARG 17 Ca 0.11 -2.95 0.00 0.00 -1.93 0.00 0.00 57.85 53.08 2wro n ARG 17 Cb 0.39 -1.01 0.00 0.00 -1.16 0.00 0.00 32.46 30.68 2wro n ARG 17 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2wro n LYS 18 N -0.19 0.00 -3.97 5.56 5.02 -1.19 -4.70 118.16 118.69 2wro n LYS 18 Ca 0.07 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.26 2wro n LYS 18 Cb 0.93 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.87 2wro n LYS 18 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2wro s ILE 19 N -0.94 0.06 -0.03 -0.18 -4.36 -1.22 -2.57 121.20 111.96 2wro s ILE 19 Ca 0.00 -1.42 0.05 0.00 -0.26 0.00 0.00 60.65 59.02 2wro s ILE 19 Cb 0.00 -1.89 -0.01 0.00 1.25 0.00 0.00 42.46 41.81 2wro s ILE 19 CO 0.00 -0.27 -0.18 -0.32 0.24 0.00 0.00 174.94 174.41 2wro s MET 20 N -3.98 1.68 0.49 0.37 -2.45 -0.85 -0.57 119.30 113.98 2wro s MET 20 Ca 0.18 -0.65 -0.20 0.00 -1.25 0.00 0.00 55.69 53.77 2wro s MET 20 Cb 0.03 -1.53 -0.08 0.00 1.25 0.00 0.00 34.83 34.50 2wro s MET 20 CO 0.01 0.33 1.05 0.00 1.05 0.00 0.00 175.02 177.46 2wro n ILE 22 N -0.95 1.34 -3.97 0.00 2.08 0.17 -2.04 119.36 115.99 2wro n ILE 22 Ca 0.09 0.14 -0.09 0.00 0.56 0.00 0.00 62.75 63.45 2wro n ILE 22 Cb 0.52 -2.04 -0.08 0.00 -0.75 0.00 0.00 39.64 37.29 2wro n ILE 22 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 2wro s ARG 23 N -2.56 0.87 -0.20 0.38 3.52 -1.19 -4.43 118.95 115.34 2wro s ARG 23 Ca -0.21 -1.13 -0.08 0.00 -0.13 0.00 0.00 55.73 54.19 2wro s ARG 23 Cb 0.04 0.31 -0.04 0.00 -1.56 0.00 0.00 34.95 33.70 2wro s ARG 23 CO 0.30 -0.26 0.07 0.14 -0.81 0.00 0.00 175.30 174.74 2wro s VAL 24 N -3.92 4.79 -0.77 7.11 -7.23 -1.26 -1.82 120.40 117.30 2wro s VAL 24 Ca 0.11 -0.03 -0.23 0.00 -1.81 0.00 0.00 61.98 60.01 2wro s VAL 24 Cb 0.06 -3.18 0.06 0.00 0.56 0.00 0.00 36.38 33.88 2wro s VAL 24 CO -0.07 0.43 1.15 -0.76 -0.31 0.00 0.00 175.10 175.55 2wro s LEU 25 N 0.58 3.99 0.00 1.32 1.43 -0.18 -4.68 118.68 121.15 2wro s LEU 25 Ca 0.04 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.09 2wro s LEU 25 Cb -0.13 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.61 2wro s LEU 25 CO 0.01 -1.52 0.00 0.29 0.23 0.00 0.00 176.35 175.37 2wro n LYS 26 N 8.21 0.00 -1.20 1.70 5.02 -1.26 -4.40 118.16 126.22 2wro n LYS 26 Ca 0.07 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.07 2wro n LYS 26 Cb 0.48 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.69 2wro n LYS 26 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2wro s GLY 27 N 0.00 1.58 0.00 0.72 0.00 -1.26 -4.87 107.32 103.48 2wro s GLY 27 Ca 0.00 -0.64 0.16 0.00 0.00 0.00 0.00 44.72 44.24 2wro s GLY 27 CO 0.00 0.08 1.41 -1.14 0.00 0.00 0.00 173.10 173.45 2wro n SER 28 N -4.35 0.00 -0.74 1.64 3.41 -1.26 -3.51 113.62 108.81 2wro n SER 28 Ca 0.08 -0.86 -0.04 0.00 -0.26 0.00 0.00 58.87 57.80 2wro n SER 28 Cb 0.58 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.50 2wro n SER 28 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2wro n ASN 29 N -0.87 -0.51 -4.57 4.04 0.23 -1.26 -5.12 115.26 107.20 2wro n ASN 29 Ca 0.12 -1.47 -0.48 0.00 -0.53 0.00 0.00 54.58 52.22 2wro n ASN 29 Cb 0.05 0.15 -0.04 0.00 -2.08 0.00 0.00 39.78 37.87 2wro n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wro n ALA 30 N 0.00 -0.83 0.03 -2.53 0.00 -1.23 -4.90 120.51 111.05 2wro n ALA 30 Ca -0.14 0.45 -0.01 0.00 0.00 0.00 0.00 53.44 53.74 2wro n ALA 30 Cb 0.59 -2.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.03 2wro n ALA 30 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wro h LYS 31 N 3.07 -0.08 0.00 0.00 1.57 -1.96 -3.46 116.57 115.71 2wro h LYS 31 Ca -0.42 0.01 -0.40 0.00 -1.87 0.00 0.00 60.65 57.96 2wro h LYS 31 Cb 1.35 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.60 2wro h LYS 31 CO 0.68 -0.05 -0.30 0.66 -0.57 0.00 0.00 179.45 179.87 2wro n TYR 32 N -2.54 0.62 -3.69 -1.35 4.02 -1.26 -4.79 117.16 108.17 2wro n TYR 32 Ca -0.01 -1.59 -0.11 0.00 -0.01 0.00 0.00 57.90 56.18 2wro n TYR 32 Cb 0.03 -0.17 -0.11 0.00 -0.02 0.00 0.00 39.34 39.07 2wro n TYR 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wro s ALA 33 N -2.58 -0.88 0.37 -0.72 0.00 -0.99 -4.92 121.76 112.06 2wro s ALA 33 Ca 0.02 1.31 0.08 0.00 0.00 0.00 0.00 51.96 53.37 2wro s ALA 33 Cb 0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 23.12 22.10 2wro s ALA 33 CO 0.02 -0.41 0.04 -0.08 0.00 0.00 0.00 175.76 175.33 2wro s THR 34 N 1.78 2.36 -0.05 0.00 -1.32 -1.26 -2.05 115.64 115.09 2wro s THR 34 Ca -0.06 -1.94 -0.07 0.00 -1.21 0.00 0.00 61.69 58.41 2wro s THR 34 Cb -0.10 -2.87 -0.03 0.00 -1.51 0.00 0.00 72.50 67.98 2wro s THR 34 CO -0.11 -0.11 0.22 0.52 -2.21 0.00 0.00 174.62 172.93 2wro n VAL 35 N -1.00 0.00 0.00 5.08 0.31 -1.26 -1.85 118.33 119.61 2wro n VAL 35 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2wro n VAL 35 Cb 0.64 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 2wro n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wro n GLY 36 N 0.48 0.26 3.93 2.92 0.00 -1.06 -4.84 105.19 106.89 2wro n GLY 36 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 2wro n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wro s ASP 37 N -2.42 6.36 -0.13 1.61 1.01 -0.77 -4.95 116.67 117.38 2wro s ASP 37 Ca 0.00 0.24 -0.09 0.00 0.71 0.00 0.00 52.55 53.41 2wro s ASP 37 Cb 0.00 -1.94 -0.04 0.00 1.01 0.00 0.00 42.92 41.94 2wro s ASP 37 CO 0.00 0.08 0.17 -0.69 0.21 0.00 0.00 175.17 174.94 2wro s VAL 38 N -1.67 5.43 0.05 -1.27 1.01 -1.26 -2.09 120.40 120.59 2wro s VAL 38 Ca 0.35 0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.66 2wro s VAL 38 Cb -0.12 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 2wro s VAL 38 CO 0.28 0.56 -0.12 0.27 0.00 0.00 0.00 175.10 176.09 2wro s ILE 39 N -0.61 0.91 -0.18 2.22 -4.36 0.23 -1.01 121.20 118.40 2wro s ILE 39 Ca 0.14 -1.10 -0.16 0.00 -0.26 0.00 0.00 60.65 59.27 2wro s ILE 39 Cb -0.12 -0.88 -0.04 0.00 1.25 0.00 0.00 42.46 42.67 2wro s ILE 39 CO 0.03 -0.19 0.39 -0.69 0.24 0.00 0.00 174.94 174.72 2wro s VAL 40 N -1.13 5.22 0.12 8.37 1.01 -0.75 -0.96 120.40 132.28 2wro s VAL 40 Ca -0.03 0.71 0.01 0.00 0.00 0.00 0.00 61.98 62.66 2wro s VAL 40 Cb -0.09 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2wro s VAL 40 CO 0.01 0.29 -0.00 0.00 0.00 0.00 0.00 175.10 175.39 2wro s ALA 41 N 1.07 1.00 -0.10 5.51 0.00 0.15 0.46 121.76 129.84 2wro s ALA 41 Ca 0.19 -1.44 -0.00 0.00 0.00 0.00 0.00 51.96 50.71 2wro s ALA 41 Cb -0.14 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 2wro s ALA 41 CO 0.07 -0.35 -0.09 0.45 0.00 0.00 0.00 175.76 175.84 2wro s SER 42 N -3.07 4.41 0.60 0.00 0.15 -0.08 0.12 113.70 115.84 2wro s SER 42 Ca 0.18 -0.16 -0.18 0.00 0.70 0.00 0.00 55.95 56.49 2wro s SER 42 Cb 0.07 -1.40 -0.03 0.00 -1.71 0.00 0.00 66.02 62.95 2wro s SER 42 CO -0.01 0.26 1.17 -0.69 1.20 0.00 0.00 173.24 175.17 2wro s VAL 43 N -0.18 2.85 0.00 4.45 1.01 -0.75 -2.01 120.40 125.77 2wro s VAL 43 Ca 0.01 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2wro s VAL 43 Cb -0.13 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.10 2wro s VAL 43 CO 0.03 -0.14 0.00 0.29 0.00 0.00 0.00 175.10 175.27 2wro n LYS 44 N -1.73 0.40 -3.58 2.72 4.76 -1.06 -2.78 118.16 116.89 2wro n LYS 44 Ca 0.13 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.31 2wro n LYS 44 Cb 0.50 -0.72 -0.16 0.00 -1.84 0.00 0.00 35.03 32.82 2wro n LYS 44 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2wro s GLU 45 N -1.43 0.10 0.14 1.97 2.12 -1.19 -4.88 118.70 115.53 2wro s GLU 45 Ca 0.00 -0.10 0.10 0.00 0.36 0.00 0.00 54.97 55.33 2wro s GLU 45 Cb 0.00 -1.62 -0.04 0.00 0.26 0.00 0.00 34.13 32.74 2wro s GLU 45 CO 0.00 -0.73 -0.24 0.00 -0.54 0.00 0.00 175.26 173.76 2wro s ALA 46 N 2.17 2.21 0.35 6.30 0.00 -1.26 -0.98 121.76 130.54 2wro s ALA 46 Ca 0.04 -1.45 -0.10 0.00 0.00 0.00 0.00 51.96 50.46 2wro s ALA 46 Cb -0.16 -0.31 -0.07 0.00 0.00 0.00 0.00 23.12 22.59 2wro s ALA 46 CO -0.14 0.43 0.69 0.42 0.00 0.00 0.00 175.76 177.16 2wro s ILE 47 N -1.33 4.84 0.00 0.00 1.01 -1.15 -4.90 121.20 119.67 2wro s ILE 47 Ca 0.13 0.52 0.00 0.00 0.00 0.00 0.00 60.65 61.30 2wro s ILE 47 Cb -0.09 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.68 2wro s ILE 47 CO 0.06 -0.38 0.00 -2.65 0.00 0.00 0.00 174.94 171.98 2wro n PRO 48 N -0.95 0.00 -0.60 2.79 -0.02 -1.26 -4.65 135.00 130.31 2wro n PRO 48 Ca 0.01 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.20 2wro n PRO 48 Cb 0.54 0.00 0.26 0.00 -0.02 0.00 0.00 33.50 34.27 2wro n PRO 48 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2wro s ARG 49 N 0.00 -1.52 0.00 -0.52 1.81 -1.26 -4.97 118.95 112.49 2wro s ARG 49 Ca 0.00 0.48 0.00 0.00 -1.72 0.00 0.00 55.73 54.49 2wro s ARG 49 Cb 0.00 -1.51 0.00 0.00 -0.45 0.00 0.00 34.95 32.99 2wro s ARG 49 CO 0.00 -4.03 0.00 0.41 -0.68 0.00 0.00 175.30 171.00 2wro n GLY 50 N 0.64 4.05 0.33 -3.53 0.00 -1.26 -4.83 105.19 100.59 2wro n GLY 50 Ca 0.07 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.74 2wro n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wro n ALA 51 N -0.80 1.64 -3.70 4.61 0.00 -1.25 -4.49 120.51 116.51 2wro n ALA 51 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2wro n ALA 51 Cb 0.00 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.33 2wro n ALA 51 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wro s VAL 52 N -1.34 -0.18 0.44 0.00 1.01 -1.26 -5.10 120.40 113.97 2wro s VAL 52 Ca 0.00 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.21 2wro s VAL 52 Cb 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 36.38 35.86 2wro s VAL 52 CO 0.00 0.07 0.04 -0.54 0.00 0.00 0.00 175.10 174.67 2wro s LYS 53 N 1.68 2.06 0.34 2.72 3.01 -1.26 -4.57 119.74 123.71 2wro s LYS 53 Ca -0.06 -2.14 -0.29 0.00 -1.01 0.00 0.00 55.97 52.47 2wro s LYS 53 Cb -0.10 -1.67 -0.11 0.00 -1.01 0.00 0.00 37.83 34.93 2wro s LYS 53 CO -0.10 -0.15 1.54 0.39 0.51 0.00 0.00 175.35 177.55 2wro n GLU 54 N -1.09 2.70 -0.22 1.68 1.02 -1.26 -2.88 120.64 120.59 2wro n GLU 54 Ca -0.08 0.95 0.00 0.00 -0.02 0.00 0.00 57.16 58.02 2wro n GLU 54 Cb 0.67 -2.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.37 2wro n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wro n GLY 55 N 1.22 1.20 3.74 0.62 0.00 -1.12 -4.96 105.19 105.90 2wro n GLY 55 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2wro n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wro s ASP 56 N -3.01 7.27 -0.69 1.61 -0.00 -1.14 -4.72 116.67 115.99 2wro s ASP 56 Ca 0.00 2.13 -0.24 0.00 -0.00 0.00 0.00 52.55 54.44 2wro s ASP 56 Cb 0.00 -2.61 0.06 0.00 -0.00 0.00 0.00 42.92 40.37 2wro s ASP 56 CO 0.00 -0.20 1.06 -0.69 -0.00 0.00 0.00 175.17 175.34 2wro s VAL 57 N -0.45 4.17 0.53 -1.27 1.01 -1.26 -1.82 120.40 121.30 2wro s VAL 57 Ca 0.48 -0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.35 2wro s VAL 57 Cb -0.30 -4.76 0.06 0.00 0.00 0.00 0.00 36.38 31.39 2wro s VAL 57 CO 0.36 -1.57 0.73 0.68 0.00 0.00 0.00 175.10 175.29 2wro s VAL 58 N 4.49 2.42 -0.00 2.92 -7.23 0.33 -4.90 120.40 118.43 2wro s VAL 58 Ca 0.26 -0.99 0.05 0.00 -1.81 0.00 0.00 61.98 59.49 2wro s VAL 58 Cb -0.14 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.35 2wro s VAL 58 CO 0.11 0.00 -0.17 -0.54 -0.31 0.00 0.00 175.10 174.19 2wro s LYS 59 N -4.58 1.29 0.36 4.82 1.02 -1.26 0.30 119.74 121.69 2wro s LYS 59 Ca 0.60 -0.64 -0.17 0.00 0.02 0.00 0.00 55.97 55.78 2wro s LYS 59 Cb -0.07 -1.27 0.05 0.00 -0.52 0.00 0.00 37.83 36.02 2wro s LYS 59 CO 0.37 0.34 0.80 0.00 -0.92 0.00 0.00 175.35 175.95 2wro s ALA 60 N -0.48 -0.86 -0.05 5.17 0.00 -0.13 -0.66 121.76 124.75 2wro s ALA 60 Ca 0.06 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.36 2wro s ALA 60 Cb -0.07 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.77 2wro s ALA 60 CO -0.00 -1.00 -0.04 0.54 0.00 0.00 0.00 175.76 175.26 2wro s VAL 61 N -2.47 0.50 0.52 0.00 0.11 -0.95 0.77 120.40 118.87 2wro s VAL 61 Ca 0.15 -0.09 -0.22 0.00 -2.93 0.00 0.00 61.98 58.89 2wro s VAL 61 Cb -0.05 -0.54 -0.06 0.00 -1.53 0.00 0.00 36.38 34.20 2wro s VAL 61 CO 0.10 0.22 1.29 -0.69 -3.33 0.00 0.00 175.10 172.69 2wro s VAL 62 N 1.00 2.45 0.00 2.04 1.01 -0.89 -1.74 120.40 124.27 2wro s VAL 62 Ca -0.10 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.22 2wro s VAL 62 Cb -0.14 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2wro s VAL 62 CO -0.00 -0.01 0.00 1.33 0.00 0.00 0.00 175.10 176.42 2wro n VAL 63 N -0.84 0.00 -3.97 2.92 0.24 0.36 -2.56 118.33 114.48 2wro n VAL 63 Ca 0.09 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.25 2wro n VAL 63 Cb 0.46 -0.21 -0.15 0.00 -1.47 0.00 0.00 33.84 32.47 2wro n VAL 63 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2wro s ARG 64 N -1.42 0.20 0.10 7.34 0.52 -1.02 -2.90 118.95 121.78 2wro s ARG 64 Ca 0.00 -0.03 0.07 0.00 -0.52 0.00 0.00 55.73 55.25 2wro s ARG 64 Cb 0.00 -0.26 -0.03 0.00 0.52 0.00 0.00 34.95 35.17 2wro s ARG 64 CO 0.00 -0.01 -0.18 0.95 0.02 0.00 0.00 175.30 176.08 2wro s THR 65 N 0.28 1.51 -0.90 0.02 -4.23 -1.25 -0.64 115.64 110.44 2wro s THR 65 Ca -0.03 -1.50 0.27 0.00 -1.18 0.00 0.00 61.69 59.25 2wro s THR 65 Cb -0.05 -1.42 0.16 0.00 1.34 0.00 0.00 72.50 72.53 2wro s THR 65 CO -0.01 -0.15 1.68 1.17 -0.54 0.00 0.00 174.62 176.78 2wro n LYS 66 N 1.06 0.09 -3.72 3.99 3.00 -1.23 -1.73 118.16 119.64 2wro n LYS 66 Ca -0.19 0.05 -0.38 0.00 -0.00 0.00 0.00 58.31 57.79 2wro n LYS 66 Cb 0.54 -1.58 -0.12 0.00 0.00 0.00 0.00 35.03 33.87 2wro n LYS 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2wro s LYS 67 N -3.04 2.58 0.80 1.64 2.47 -1.26 -4.81 119.74 118.11 2wro s LYS 67 Ca 0.12 -1.28 -0.14 0.00 -1.56 0.00 0.00 55.97 53.10 2wro s LYS 67 Cb 0.17 -3.55 -0.12 0.00 -1.46 0.00 0.00 37.83 32.87 2wro s LYS 67 CO 0.61 -0.76 -0.66 -0.85 0.16 0.00 0.00 175.35 173.85 2wro n GLU 68 N 4.83 0.00 -3.87 4.03 0.00 -1.26 -4.59 120.64 119.77 2wro n GLU 68 Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 57.16 56.79 2wro n GLU 68 Cb 0.44 -0.80 -0.17 0.00 0.00 0.00 0.00 31.44 30.91 2wro n GLU 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2wro s ILE 69 N -1.60 0.88 -0.36 3.84 1.01 -0.77 -4.92 121.20 119.29 2wro s ILE 69 Ca 0.32 -0.21 -0.16 0.00 0.00 0.00 0.00 60.65 60.59 2wro s ILE 69 Cb -0.14 -0.94 -0.01 0.00 0.01 0.00 0.00 42.46 41.39 2wro s ILE 69 CO 0.66 0.33 0.41 -0.54 0.00 0.00 0.00 174.94 175.79 2wro s LYS 70 N 1.77 3.51 0.71 2.79 1.02 -1.26 -1.70 119.74 126.57 2wro s LYS 70 Ca 0.05 -0.41 -0.11 0.00 0.02 0.00 0.00 55.97 55.52 2wro s LYS 70 Cb -0.13 -3.83 0.01 0.00 -0.52 0.00 0.00 37.83 33.37 2wro s LYS 70 CO -0.08 -0.60 1.06 1.03 -0.92 0.00 0.00 175.35 175.85 2wro s ARG 71 N 2.12 2.86 0.31 1.68 1.81 0.21 -4.90 118.95 123.05 2wro s ARG 71 Ca 0.13 0.92 0.01 0.00 -1.72 0.00 0.00 55.73 55.07 2wro s ARG 71 Cb -0.16 -1.98 0.55 0.00 -0.45 0.00 0.00 34.95 32.90 2wro s ARG 71 CO 0.12 -1.15 1.94 -1.00 -0.68 0.00 0.00 175.30 174.54 2wro h PRO 72 N -0.75 0.97 -0.21 3.54 0.13 -1.98 0.46 132.00 134.15 2wro h PRO 72 Ca -0.44 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2wro h PRO 72 Cb 1.22 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2wro h PRO 72 CO 0.57 0.64 0.00 -0.40 -0.23 0.00 0.00 178.00 178.58 2wro n ASP 73 N -4.46 0.21 0.00 1.44 5.68 -1.26 -4.73 116.55 113.43 2wro n ASP 73 Ca 0.11 -0.61 0.00 0.00 -0.50 0.00 0.00 54.79 53.80 2wro n ASP 73 Cb 0.14 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 2wro n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wro n GLY 74 N 0.18 0.11 3.90 6.12 0.00 0.16 -4.98 105.19 110.67 2wro n GLY 74 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2wro n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wro s SER 75 N -2.07 6.50 0.24 1.61 1.04 -1.23 -4.80 113.70 114.99 2wro s SER 75 Ca 0.00 0.65 0.10 0.00 0.48 0.00 0.00 55.95 57.18 2wro s SER 75 Cb 0.00 -2.12 -0.04 0.00 0.10 0.00 0.00 66.02 63.96 2wro s SER 75 CO 0.00 -0.01 -0.07 0.00 0.98 0.00 0.00 173.24 174.14 2wro s ALA 76 N -1.75 3.02 -0.04 5.32 0.00 -1.26 -0.62 121.76 126.42 2wro s ALA 76 Ca 0.42 -1.65 0.02 0.00 0.00 0.00 0.00 51.96 50.75 2wro s ALA 76 Cb -0.12 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.36 2wro s ALA 76 CO 0.25 0.32 -0.07 -1.50 0.00 0.00 0.00 175.76 174.76 2wro s ILE 77 N -2.18 0.69 -0.08 0.00 1.10 -0.69 -4.95 121.20 115.09 2wro s ILE 77 Ca 0.29 -0.24 -0.00 0.00 -0.51 0.00 0.00 60.65 60.20 2wro s ILE 77 Cb -0.07 -0.67 0.02 0.00 0.15 0.00 0.00 42.46 41.89 2wro s ILE 77 CO 0.18 0.25 -0.05 -0.60 -2.11 0.00 0.00 174.94 172.60 2wro s ARG 78 N 0.72 1.16 0.09 3.50 3.52 -1.26 -1.84 118.95 124.84 2wro s ARG 78 Ca -0.11 -0.14 0.02 0.00 -0.13 0.00 0.00 55.73 55.37 2wro s ARG 78 Cb -0.14 -1.26 -0.04 0.00 -1.56 0.00 0.00 34.95 31.95 2wro s ARG 78 CO 0.01 -0.21 0.15 -0.06 -0.81 0.00 0.00 175.30 174.38 2wro s PHE 79 N 1.53 3.31 -2.00 5.12 0.40 -0.70 -5.02 117.98 120.61 2wro s PHE 79 Ca -0.00 0.12 0.13 0.00 -0.60 0.00 0.00 56.93 56.58 2wro s PHE 79 Cb -0.13 -1.65 0.78 0.00 0.51 0.00 0.00 43.02 42.52 2wro s PHE 79 CO -0.05 0.54 1.29 -0.25 0.70 0.00 0.00 175.22 177.45 2wro n ASP 80 N 0.21 0.00 -3.64 1.36 8.00 -1.26 -3.50 116.55 117.72 2wro n ASP 80 Ca -0.07 -1.00 -0.11 0.00 0.71 0.00 0.00 54.79 54.33 2wro n ASP 80 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.55 2wro n ASP 80 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2wro s ASP 81 N -1.71 -0.59 0.07 -2.24 -4.77 -1.26 -4.90 116.67 101.27 2wro s ASP 81 Ca 0.20 1.12 -0.30 0.00 -3.30 0.00 0.00 52.55 50.26 2wro s ASP 81 Cb 0.09 1.15 -0.06 0.00 -1.09 0.00 0.00 42.92 43.01 2wro s ASP 81 CO 0.15 -0.19 1.18 0.20 0.70 0.00 0.00 175.17 177.21 2wro s ASN 82 N 0.40 7.11 -0.02 2.11 -0.87 -1.24 -3.85 114.94 118.57 2wro s ASN 82 Ca 0.01 2.00 -0.07 0.00 -1.57 0.00 0.00 52.86 53.23 2wro s ASN 82 Cb -0.05 -2.58 0.01 0.00 -0.02 0.00 0.00 41.25 38.61 2wro s ASN 82 CO -0.04 -0.44 0.15 0.00 -2.57 0.00 0.00 177.10 174.20 2wro s ALA 83 N 0.94 -0.37 0.24 0.60 0.00 0.19 -2.74 121.76 120.62 2wro s ALA 83 Ca 0.57 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.66 2wro s ALA 83 Cb -0.29 -0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.74 2wro s ALA 83 CO 0.30 -0.16 0.05 0.00 0.00 0.00 0.00 175.76 175.95 2wro s ALA 84 N -0.83 1.73 -0.05 0.00 0.00 -0.99 0.14 121.76 121.76 2wro s ALA 84 Ca -0.09 -1.81 0.04 0.00 0.00 0.00 0.00 51.96 50.10 2wro s ALA 84 Cb -0.05 0.79 -0.00 0.00 0.00 0.00 0.00 23.12 23.86 2wro s ALA 84 CO 0.01 -0.37 -0.19 0.08 0.00 0.00 0.00 175.76 175.29 2wro s VAL 85 N -3.62 1.56 0.32 0.00 1.01 -0.71 -1.76 120.40 117.20 2wro s VAL 85 Ca 0.33 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 2wro s VAL 85 Cb 0.07 -1.34 -0.10 0.00 0.00 0.00 0.00 36.38 35.01 2wro s VAL 85 CO 0.11 0.45 1.30 -0.63 0.00 0.00 0.00 175.10 176.32 2wro s ILE 86 N 0.09 2.78 0.02 2.22 1.09 -1.26 -2.24 121.20 123.90 2wro s ILE 86 Ca -0.06 0.77 0.04 0.00 -1.10 0.00 0.00 60.65 60.30 2wro s ILE 86 Cb -0.13 -3.49 -0.02 0.00 -1.06 0.00 0.00 42.46 37.76 2wro s ILE 86 CO 0.03 0.18 -0.12 -0.63 -0.10 0.00 0.00 174.94 174.30 2wro s ILE 87 N -1.06 0.97 0.00 2.92 -1.09 0.17 -1.98 121.20 121.13 2wro s ILE 87 Ca 0.49 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 2wro s ILE 87 Cb -0.39 -0.87 0.00 0.00 -1.58 0.00 0.00 42.46 39.62 2wro s ILE 87 CO 0.51 0.04 0.00 -0.46 -1.23 0.00 0.00 174.94 173.81 2wro n ASN 88 N 2.15 0.00 0.00 3.58 0.23 0.12 -4.27 115.26 117.08 2wro n ASN 88 Ca -0.17 -0.99 0.09 0.00 -0.53 0.00 0.00 54.58 52.97 2wro n ASN 88 Cb 0.55 0.00 0.52 0.00 -2.08 0.00 0.00 39.78 38.77 2wro n ASN 88 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2wro n ASN 89 N -2.98 0.00 -2.54 0.53 4.13 -1.26 -3.38 115.26 109.76 2wro n ASN 89 Ca 0.00 -1.43 -0.17 0.00 1.68 0.00 0.00 54.58 54.66 2wro n ASN 89 Cb 0.00 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.26 2wro n ASN 89 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wro n GLN 90 N -0.78 2.38 0.00 3.52 3.00 -1.26 -4.97 117.38 119.27 2wro n GLN 90 Ca 0.13 -3.88 0.00 0.00 -0.01 0.00 0.00 57.00 53.24 2wro n GLN 90 Cb 0.06 -1.79 0.00 0.00 0.00 0.00 0.00 30.24 28.51 2wro n GLN 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2wro n LEU 91 N -0.35 0.00 -4.72 1.08 4.77 -1.22 -4.90 117.00 111.67 2wro n LEU 91 Ca 0.24 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.81 2wro n LEU 91 Cb 0.77 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.73 2wro n LEU 91 CO 0.29 0.00 0.99 -0.70 -1.33 0.00 0.00 177.39 176.63 2wro s GLU 92 N 0.00 4.37 -0.05 3.23 2.12 -1.26 -4.63 118.70 122.48 2wro s GLU 92 Ca 0.00 1.95 -0.31 0.00 0.36 0.00 0.00 54.97 56.97 2wro s GLU 92 Cb 0.00 -3.28 -0.10 0.00 0.26 0.00 0.00 34.13 31.01 2wro s GLU 92 CO 0.00 -0.35 1.98 -0.35 -0.54 0.00 0.00 175.26 176.00 2wro n PRO 93 N 3.85 2.48 0.09 4.30 -0.04 -1.26 0.16 135.00 144.57 2wro n PRO 93 Ca 0.10 0.88 0.07 0.00 -0.04 0.00 0.00 63.50 64.51 2wro n PRO 93 Cb 0.44 -2.90 0.35 0.00 -0.04 0.00 0.00 33.50 31.35 2wro n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wro n ARG 94 N 7.41 0.08 -1.50 0.54 5.12 -0.84 -4.63 116.66 122.85 2wro n ARG 94 Ca 0.23 0.56 -0.02 0.00 -1.93 0.00 0.00 57.85 56.68 2wro n ARG 94 Cb 0.37 -1.76 0.00 0.00 -1.16 0.00 0.00 32.46 29.91 2wro n ARG 94 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wro n GLY 95 N -1.24 2.59 0.42 -0.13 0.00 -1.26 -4.95 105.19 100.63 2wro n GLY 95 Ca -0.00 -2.16 0.01 0.00 0.00 0.00 0.00 46.02 43.86 2wro n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wro n THR 96 N -0.82 0.15 -3.64 2.61 -2.24 -1.26 -5.05 114.28 104.03 2wro n THR 96 Ca 0.00 -0.18 -0.05 0.00 -2.27 0.00 0.00 64.05 61.55 2wro n THR 96 Cb 0.06 0.48 -0.07 0.00 -2.10 0.00 0.00 70.33 68.70 2wro n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wro s ARG 97 N -0.23 0.38 -0.06 -0.78 1.81 -1.26 -5.03 118.95 113.79 2wro s ARG 97 Ca 0.02 0.56 0.03 0.00 -1.72 0.00 0.00 55.73 54.63 2wro s ARG 97 Cb 0.02 0.13 0.01 0.00 -0.45 0.00 0.00 34.95 34.66 2wro s ARG 97 CO 0.00 -0.06 -0.14 0.54 -0.68 0.00 0.00 175.30 174.96 2wro s VAL 98 N 0.83 1.23 0.31 3.52 0.11 -1.26 -1.23 120.40 123.92 2wro s VAL 98 Ca -0.03 -0.56 0.06 0.00 -2.93 0.00 0.00 61.98 58.52 2wro s VAL 98 Cb -0.04 -1.10 -0.02 0.00 -1.53 0.00 0.00 36.38 33.69 2wro s VAL 98 CO -0.12 0.37 0.40 -0.36 -3.33 0.00 0.00 175.10 172.06 2wro s PHE 99 N 0.45 3.13 0.03 1.54 0.08 0.24 -4.16 117.98 119.29 2wro s PHE 99 Ca -0.11 -0.19 0.00 0.00 0.12 0.00 0.00 56.93 56.75 2wro s PHE 99 Cb -0.14 -1.84 0.00 0.00 -0.57 0.00 0.00 43.02 40.47 2wro s PHE 99 CO 0.03 0.14 0.00 0.41 -0.10 0.00 0.00 175.22 175.71 2wro n GLY 100 N -1.52 -3.03 3.77 4.36 0.00 -1.26 -4.77 105.19 102.74 2wro n GLY 100 Ca -0.03 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 2wro n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wro n PRO 101 N -1.11 2.47 -4.20 1.61 -0.04 -1.26 -4.43 135.00 128.05 2wro n PRO 101 Ca 0.00 0.87 -0.25 0.00 -0.04 0.00 0.00 63.50 64.08 2wro n PRO 101 Cb 0.01 -2.64 -0.08 0.00 -0.04 0.00 0.00 33.50 30.75 2wro n PRO 101 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2wro s VAL 102 N -1.15 2.25 -0.10 0.52 -7.23 -0.79 -4.84 120.40 109.05 2wro s VAL 102 Ca 0.57 -1.74 -0.21 0.00 -1.81 0.00 0.00 61.98 58.79 2wro s VAL 102 Cb -0.47 -2.98 -0.04 0.00 0.56 0.00 0.00 36.38 33.45 2wro s VAL 102 CO 0.61 0.00 0.60 0.00 -0.31 0.00 0.00 175.10 176.01 2wro s ALA 103 N -2.62 3.41 -1.11 1.32 0.00 -1.14 -1.13 121.76 120.50 2wro s ALA 103 Ca 0.40 -0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.36 2wro s ALA 103 Cb 0.05 -2.84 0.19 0.00 0.00 0.00 0.00 23.12 20.52 2wro s ALA 103 CO 0.22 -0.12 1.09 2.89 0.00 0.00 0.00 175.76 179.84 2wro n ARG 104 N 3.89 0.02 -0.20 0.00 1.85 -1.26 -0.32 116.66 120.64 2wro n ARG 104 Ca -0.04 0.38 0.18 0.00 -1.00 0.00 0.00 57.85 57.38 2wro n ARG 104 Cb 0.51 -1.50 0.52 0.00 -1.05 0.00 0.00 32.46 30.94 2wro n ARG 104 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2wro h GLU 105 N 0.00 0.38 -0.03 2.89 3.07 -1.91 0.13 114.58 119.11 2wro h GLU 105 Ca 0.00 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 58.86 2wro h GLU 105 Cb 0.06 -0.08 -0.06 0.00 -0.84 0.00 0.00 28.75 27.83 2wro h GLU 105 CO 0.00 0.25 -0.52 -0.07 -1.40 0.00 0.00 179.01 177.27 2wro h LEU 106 N 0.39 -1.62 0.00 1.33 3.38 -0.99 0.89 115.31 118.69 2wro h LEU 106 Ca 0.42 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.57 2wro h LEU 106 Cb 1.04 0.62 0.00 0.00 0.09 0.00 0.00 40.66 42.41 2wro h LEU 106 CO -0.14 -0.51 0.00 -1.14 0.09 0.00 0.00 178.44 176.74 2wro n ARG 107 N -5.46 0.00 -0.13 1.13 0.63 0.03 0.99 116.66 113.86 2wro n ARG 107 Ca -0.07 0.71 -0.04 0.00 -0.92 0.00 0.00 57.85 57.54 2wro n ARG 107 Cb 0.39 -1.07 0.17 0.00 0.45 0.00 0.00 32.46 32.40 2wro n ARG 107 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 2wro h GLU 108 N 0.00 0.84 -0.40 -0.14 9.09 -1.63 -2.62 114.58 119.71 2wro h GLU 108 Ca 0.00 -0.19 0.12 0.00 0.05 0.00 0.00 59.36 59.34 2wro h GLU 108 Cb 0.00 -0.12 -0.02 0.00 -1.65 0.00 0.00 28.75 26.97 2wro h GLU 108 CO 0.00 0.78 0.39 0.87 0.05 0.00 0.00 179.01 181.10 2wro h LYS 109 N 0.80 0.00 0.00 1.06 1.79 0.32 -3.45 116.57 117.09 2wro h LYS 109 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 2wro h LYS 109 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2wro h LYS 109 CO 0.01 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.79 2wro n GLY 110 N -1.50 1.63 2.73 3.86 0.00 0.11 -5.03 105.19 106.98 2wro n GLY 110 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 2wro n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wro n PHE 111 N -0.47 3.36 0.29 1.61 3.72 -1.22 -4.96 117.46 119.80 2wro n PHE 111 Ca 0.00 -4.25 -0.12 0.00 -0.05 0.00 0.00 57.45 53.03 2wro n PHE 111 Cb 0.00 -0.60 -0.06 0.00 -0.94 0.00 0.00 39.48 37.88 2wro n PHE 111 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 2wro h MET 112 N 4.96 -0.73 -0.95 -1.08 2.86 -1.88 -3.08 114.93 115.02 2wro h MET 112 Ca 0.17 0.05 0.30 0.00 -2.06 0.00 0.00 59.70 58.16 2wro h MET 112 Cb 0.72 0.17 -0.16 0.00 0.06 0.00 0.00 31.60 32.39 2wro h MET 112 CO 0.76 -0.49 0.37 0.87 1.06 0.00 0.00 176.91 179.48 2wro h LYS 113 N -0.76 0.19 0.12 1.72 1.57 -1.98 -1.91 116.57 115.51 2wro h LYS 113 Ca -0.07 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2wro h LYS 113 Cb 0.59 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2wro h LYS 113 CO 0.10 0.12 -0.06 0.82 -0.57 0.00 0.00 179.45 179.87 2wro h ILE 114 N 0.19 0.00 -0.60 1.86 5.03 -1.97 -3.20 117.51 118.82 2wro h ILE 114 Ca 0.67 -0.01 0.21 0.00 -0.12 0.00 0.00 64.86 65.61 2wro h ILE 114 Cb 1.50 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 35.18 2wro h ILE 114 CO -0.69 0.00 0.18 0.52 -0.68 0.00 0.00 178.15 177.48 2wro n VAL 115 N -2.44 -0.25 -0.26 1.67 0.31 -0.74 0.14 118.33 116.75 2wro n VAL 115 Ca -0.02 1.27 -0.03 0.00 -0.01 0.00 0.00 64.34 65.56 2wro n VAL 115 Cb 0.06 -1.97 0.14 0.00 -0.91 0.00 0.00 33.84 31.16 2wro n VAL 115 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2wro h SER 116 N 0.00 0.99 0.63 4.52 4.64 -1.50 -3.21 113.55 119.63 2wro h SER 116 Ca 0.45 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.63 2wro h SER 116 Cb 1.08 -0.25 0.01 0.00 -0.31 0.00 0.00 62.40 62.92 2wro h SER 116 CO -0.51 0.82 -0.30 -0.07 -0.87 0.00 0.00 176.83 175.90 2wro h LEU 117 N 1.10 -0.72 -7.26 5.97 3.38 0.12 -3.44 115.31 114.46 2wro h LEU 117 Ca 0.27 -0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.58 2wro h LEU 117 Cb 0.08 0.19 0.03 0.00 0.09 0.00 0.00 40.66 41.05 2wro h LEU 117 CO -0.04 -0.34 0.19 0.00 0.09 0.00 0.00 178.44 178.35 2wro n ALA 118 N -2.68 -2.50 0.63 1.53 0.00 -1.07 -4.70 120.51 111.72 2wro n ALA 118 Ca -0.11 0.46 0.01 0.00 0.00 0.00 0.00 53.44 53.80 2wro n ALA 118 Cb 0.35 -1.46 0.07 0.00 0.00 0.00 0.00 19.45 18.41 2wro n ALA 118 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wro n PRO 119 N 1.77 0.32 0.00 0.00 -0.04 -1.26 -4.70 135.00 131.09 2wro n PRO 119 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2wro n PRO 119 Cb 0.03 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 2wro n PRO 119 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2wro n GLU 120 N -0.61 0.00 -3.96 0.54 2.13 -1.26 -4.98 120.64 112.49 2wro n GLU 120 Ca 0.02 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.54 2wro n GLU 120 Cb 0.01 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 31.55 2wro n GLU 120 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2wro s VAL 121 N -1.59 1.40 -1.48 6.31 1.01 -1.26 -1.89 120.40 122.91 2wro s VAL 121 Ca 0.00 -0.72 0.12 0.00 0.00 0.00 0.00 61.98 61.38 2wro s VAL 121 Cb 0.00 -1.45 0.09 0.00 0.00 0.00 0.00 36.38 35.02 2wro s VAL 121 CO 0.00 0.26 0.87 0.18 0.00 0.00 0.00 175.10 176.41