#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vbp s GLN 3 N 0.00 0.62 0.30 4.33 -2.07 -1.26 -5.14 119.66 116.45 1vbp s GLN 3 Ca 0.00 0.68 0.09 0.00 -1.82 0.00 0.00 55.36 54.31 1vbp s GLN 3 Cb 0.00 0.30 -0.04 0.00 -1.09 0.00 0.00 33.01 32.18 1vbp s GLN 3 CO 0.00 -0.09 0.10 0.95 -1.32 0.00 0.00 175.29 174.93 1vbp s THR 4 N 0.16 3.35 0.04 3.63 -4.23 -1.26 -5.05 115.64 112.28 1vbp s THR 4 Ca 0.02 -1.74 -0.30 0.00 -1.18 0.00 0.00 61.69 58.49 1vbp s THR 4 Cb -0.05 -2.98 -0.07 0.00 1.34 0.00 0.00 72.50 70.75 1vbp s THR 4 CO -0.03 -0.27 1.45 -0.63 -0.54 0.00 0.00 174.62 174.59 1vbp s ILE 5 N -2.35 3.50 -0.22 2.99 1.01 -1.05 -4.80 121.20 120.28 1vbp s ILE 5 Ca 0.35 0.94 0.02 0.00 0.00 0.00 0.00 60.65 61.96 1vbp s ILE 5 Cb -0.05 -3.61 0.04 0.00 0.01 0.00 0.00 42.46 38.86 1vbp s ILE 5 CO 0.22 0.01 -0.16 -0.89 0.00 0.00 0.00 174.94 174.13 1vbp s THR 6 N 2.20 2.16 0.14 2.92 2.01 -1.26 -0.87 115.64 122.94 1vbp s THR 6 Ca 0.66 -1.22 0.10 0.00 0.31 0.00 0.00 61.69 61.53 1vbp s THR 6 Cb -0.34 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 1vbp s THR 6 CO 0.28 0.29 -0.19 0.54 -0.69 0.00 0.00 174.62 174.86 1vbp s VAL 7 N 1.22 2.73 -3.76 3.82 0.11 -0.92 -5.01 120.40 118.59 1vbp s VAL 7 Ca -0.01 -1.66 0.00 0.00 -2.93 0.00 0.00 61.98 57.38 1vbp s VAL 7 Cb -0.16 -2.28 0.00 0.00 -1.53 0.00 0.00 36.38 32.41 1vbp s VAL 7 CO -0.09 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.31 1vbp n GLY 8 N 0.58 0.80 0.71 6.54 0.00 -1.26 -1.82 105.19 110.74 1vbp n GLY 8 Ca -0.15 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1vbp n GLY 8 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vbp n SER 9 N 0.00 -0.94 -4.32 1.61 7.64 -1.21 -4.96 113.62 111.44 1vbp n SER 9 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1vbp n SER 9 Cb 0.00 -0.47 -0.13 0.00 -1.01 0.00 0.00 64.21 62.60 1vbp n SER 9 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1vbp s TRP 10 N -1.86 3.08 0.00 1.43 0.51 0.08 -4.90 118.94 117.28 1vbp s TRP 10 Ca 0.00 -1.02 0.00 0.00 -2.12 0.00 0.00 56.10 52.96 1vbp s TRP 10 Cb 0.00 -2.18 0.00 0.00 -0.81 0.00 0.00 33.47 30.48 1vbp s TRP 10 CO 0.00 -0.57 0.00 0.41 -0.51 0.00 0.00 176.95 176.28 1vbp n GLY 11 N 4.82 0.26 3.28 0.98 0.00 -1.26 -0.74 105.19 112.53 1vbp n GLY 11 Ca -0.16 -2.27 -0.35 0.00 0.00 0.00 0.00 46.02 43.25 1vbp n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vbp n GLY 12 N 0.00 -2.90 0.17 -0.02 0.00 -0.88 -4.87 105.19 96.69 1vbp n GLY 12 Ca 0.00 -0.70 0.11 0.00 0.00 0.00 0.00 46.02 45.43 1vbp n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vbp n PRO 13 N -0.03 0.41 0.00 1.61 -0.04 -1.26 -4.59 135.00 131.10 1vbp n PRO 13 Ca 0.04 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 1vbp n PRO 13 Cb 0.54 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1vbp n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vbp n GLY 14 N 1.47 0.74 7.00 0.55 0.00 -1.26 -5.00 105.19 108.69 1vbp n GLY 14 Ca 0.06 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1vbp n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vbp n GLY 15 N 5.00 -0.30 2.93 -0.02 0.00 -1.26 -4.73 105.19 106.81 1vbp n GLY 15 Ca 0.00 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 1vbp n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vbp s ASN 16 N -4.00 3.43 0.27 1.61 0.02 -1.12 -4.80 114.94 110.35 1vbp s ASN 16 Ca 0.00 -0.96 -0.30 0.00 -1.02 0.00 0.00 52.86 50.58 1vbp s ASN 16 Cb 0.00 -1.10 -0.13 0.00 0.02 0.00 0.00 41.25 40.04 1vbp s ASN 16 CO 0.00 -0.20 1.45 0.61 0.02 0.00 0.00 177.10 178.98 1vbp n GLY 17 N 4.74 0.92 3.24 0.66 0.00 -1.26 -2.31 105.19 111.18 1vbp n GLY 17 Ca -0.13 0.46 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 1vbp n GLY 17 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1vbp s TRP 18 N -0.18 0.01 -0.12 1.61 1.48 0.41 -4.96 118.94 117.19 1vbp s TRP 18 Ca 0.65 -0.34 -0.05 0.00 -1.06 0.00 0.00 56.10 55.31 1vbp s TRP 18 Cb -0.59 0.05 0.06 0.00 -1.16 0.00 0.00 33.47 31.83 1vbp s TRP 18 CO 0.51 -0.57 0.24 0.34 -4.06 0.00 0.00 176.95 173.41 1vbp s ASP 19 N -2.64 0.33 0.36 -2.66 2.15 -1.26 -1.89 116.67 111.06 1vbp s ASP 19 Ca 0.02 0.53 0.16 0.00 0.43 0.00 0.00 52.55 53.69 1vbp s ASP 19 Cb 0.03 0.57 0.67 0.00 -0.30 0.00 0.00 42.92 43.88 1vbp s ASP 19 CO -0.09 -0.23 1.74 0.44 -0.17 0.00 0.00 175.17 176.86 1vbp h ASP 20 N 8.13 0.00 -4.82 -0.34 5.19 -1.79 -3.50 116.42 119.30 1vbp h ASP 20 Ca -0.18 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 1vbp h ASP 20 Cb 1.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.63 1vbp h ASP 20 CO 0.17 0.41 0.00 0.61 -3.12 0.00 0.00 179.24 177.32 1vbp n GLY 21 N 0.05 -3.37 3.62 2.75 0.00 -1.26 -4.93 105.19 102.06 1vbp n GLY 21 Ca -0.01 -1.99 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 1vbp n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vbp s SER 22 N -1.41 4.78 0.00 1.61 0.01 -1.26 -4.03 113.70 113.39 1vbp s SER 22 Ca 0.00 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.18 1vbp s SER 22 Cb 0.00 -1.17 0.00 0.00 0.21 0.00 0.00 66.02 65.06 1vbp s SER 22 CO 0.00 0.30 0.00 -1.22 0.41 0.00 0.00 173.24 172.73 1vbp n TYR 23 N 1.61 0.00 -0.02 2.43 4.02 -0.45 -5.00 117.16 119.75 1vbp n TYR 23 Ca -0.16 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.72 1vbp n TYR 23 Cb 0.53 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.80 1vbp n TYR 23 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1vbp n THR 24 N 0.00 0.31 0.00 -0.72 -1.04 -0.80 -4.98 114.28 107.05 1vbp n THR 24 Ca 0.00 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 1vbp n THR 24 Cb 0.00 -0.51 0.00 0.00 -1.82 0.00 0.00 70.33 68.00 1vbp n THR 24 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1vbp n GLY 25 N 2.48 0.84 3.67 3.41 0.00 -0.89 -4.92 105.19 109.78 1vbp n GLY 25 Ca -0.08 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 1vbp n GLY 25 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1vbp s ILE 26 N -2.00 5.14 -0.07 -0.61 -5.25 -1.26 0.82 121.20 117.97 1vbp s ILE 26 Ca 0.00 0.91 0.08 0.00 -0.99 0.00 0.00 60.65 60.65 1vbp s ILE 26 Cb 0.00 -3.82 -0.12 0.00 2.95 0.00 0.00 42.46 41.47 1vbp s ILE 26 CO 0.00 0.22 0.08 -1.14 -1.79 0.00 0.00 174.94 172.31 1vbp n ARG 27 N 4.54 1.90 -3.61 0.37 0.63 0.23 -4.78 116.66 115.94 1vbp n ARG 27 Ca -0.06 -0.03 -0.06 0.00 -0.92 0.00 0.00 57.85 56.79 1vbp n ARG 27 Cb 0.51 -1.23 -0.04 0.00 0.45 0.00 0.00 32.46 32.15 1vbp n ARG 27 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1vbp s GLN 28 N -2.34 0.30 -0.05 -0.14 0.74 -0.32 -3.03 119.66 114.82 1vbp s GLN 28 Ca -0.04 0.05 0.01 0.00 0.05 0.00 0.00 55.36 55.43 1vbp s GLN 28 Cb 0.04 0.14 0.02 0.00 1.10 0.00 0.00 33.01 34.31 1vbp s GLN 28 CO 0.37 -0.10 -0.05 0.42 -0.55 0.00 0.00 175.29 175.38 1vbp s ILE 29 N -1.22 0.61 0.03 -2.34 1.01 -0.50 0.46 121.20 119.24 1vbp s ILE 29 Ca 0.05 -0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.57 1vbp s ILE 29 Cb -0.01 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 1vbp s ILE 29 CO -0.04 0.25 -0.05 -1.61 0.00 0.00 0.00 174.94 173.48 1vbp s GLU 30 N 0.94 2.52 -0.29 2.79 2.02 -0.22 0.07 118.70 126.53 1vbp s GLU 30 Ca -0.11 -0.76 -0.23 0.00 0.02 0.00 0.00 54.97 53.89 1vbp s GLU 30 Cb -0.14 -2.50 0.17 0.00 0.10 0.00 0.00 34.13 31.76 1vbp s GLU 30 CO 0.00 0.58 1.29 -0.48 0.02 0.00 0.00 175.26 176.68 1vbp s LEU 31 N -1.66 -0.18 0.16 1.80 0.05 -1.06 -0.13 118.68 117.67 1vbp s LEU 31 Ca 0.19 0.33 -0.06 0.00 0.05 0.00 0.00 54.13 54.64 1vbp s LEU 31 Cb -0.11 1.32 -0.06 0.00 -2.05 0.00 0.00 46.19 45.29 1vbp s LEU 31 CO 0.10 -0.06 0.41 -0.94 -0.55 0.00 0.00 176.35 175.32 1vbp s SER 32 N 0.30 6.51 0.23 1.48 1.04 -0.30 -2.64 113.70 120.33 1vbp s SER 32 Ca 0.03 0.65 -0.16 0.00 0.48 0.00 0.00 55.95 56.95 1vbp s SER 32 Cb -0.05 -2.12 0.01 0.00 0.10 0.00 0.00 66.02 63.97 1vbp s SER 32 CO -0.13 0.03 0.54 -0.72 0.98 0.00 0.00 173.24 173.94 1vbp s TYR 33 N -1.69 0.04 0.00 5.02 1.13 0.38 0.11 117.35 122.33 1vbp s TYR 33 Ca 0.42 -0.42 0.00 0.00 -1.41 0.00 0.00 57.07 55.67 1vbp s TYR 33 Cb -0.12 0.37 0.00 0.00 -1.10 0.00 0.00 41.96 41.11 1vbp s TYR 33 CO 0.24 -1.00 0.00 1.17 -2.51 0.00 0.00 175.55 173.45 1vbp n LYS 34 N -0.37 0.00 -0.11 -3.49 4.81 -1.26 0.55 118.16 118.29 1vbp n LYS 34 Ca -0.06 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.50 1vbp n LYS 34 Cb 0.62 0.00 0.22 0.00 0.02 0.00 0.00 35.03 35.89 1vbp n LYS 34 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1vbp n GLU 35 N 0.00 2.30 -3.58 1.64 -0.58 -1.26 -4.15 120.64 115.01 1vbp n GLU 35 Ca 0.00 -1.95 -0.05 0.00 -0.42 0.00 0.00 57.16 54.75 1vbp n GLU 35 Cb 0.00 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 29.37 1vbp n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1vbp s ALA 36 N -1.71 -1.98 -0.01 0.62 0.00 -1.23 -3.32 121.76 114.13 1vbp s ALA 36 Ca 0.35 1.16 -0.30 0.00 0.00 0.00 0.00 51.96 53.17 1vbp s ALA 36 Cb 0.21 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.47 1vbp s ALA 36 CO 0.31 -0.72 1.29 0.42 0.00 0.00 0.00 175.76 177.06 1vbp s ILE 37 N -2.72 3.95 0.00 0.00 1.09 0.33 -4.32 121.20 119.52 1vbp s ILE 37 Ca 0.09 1.33 0.00 0.00 -1.10 0.00 0.00 60.65 60.96 1vbp s ILE 37 Cb -0.00 -3.85 0.00 0.00 -1.06 0.00 0.00 42.46 37.54 1vbp s ILE 37 CO -0.05 0.02 0.00 0.61 -0.10 0.00 0.00 174.94 175.41 1vbp n GLY 38 N 3.47 -0.13 3.85 6.18 0.00 0.30 -2.24 105.19 116.62 1vbp n GLY 38 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1vbp n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vbp s SER 39 N -1.00 6.48 -0.27 1.61 0.01 -1.19 -1.41 113.70 117.93 1vbp s SER 39 Ca 0.00 1.51 -0.10 0.00 1.31 0.00 0.00 55.95 58.66 1vbp s SER 39 Cb 0.00 -2.49 0.11 0.00 0.21 0.00 0.00 66.02 63.85 1vbp s SER 39 CO 0.00 -0.69 0.60 0.12 0.41 0.00 0.00 173.24 173.69 1vbp s PHE 40 N -2.82 -1.18 0.09 2.43 2.19 -0.28 -1.15 117.98 117.26 1vbp s PHE 40 Ca 0.57 2.12 -0.00 0.00 0.33 0.00 0.00 56.93 59.95 1vbp s PHE 40 Cb -0.10 0.67 -0.04 0.00 -1.31 0.00 0.00 43.02 42.24 1vbp s PHE 40 CO 0.40 -0.60 -0.01 0.45 1.83 0.00 0.00 175.22 177.28 1vbp s SER 41 N 2.62 0.59 -0.02 6.13 0.15 0.81 -2.75 113.70 121.24 1vbp s SER 41 Ca -0.06 -1.07 -0.12 0.00 0.70 0.00 0.00 55.95 55.40 1vbp s SER 41 Cb -0.11 0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.42 1vbp s SER 41 CO -0.18 -0.61 0.26 0.54 1.20 0.00 0.00 173.24 174.45 1vbp s VAL 42 N -3.89 0.06 -0.35 4.45 0.11 -1.26 -1.06 120.40 118.46 1vbp s VAL 42 Ca 0.13 -0.50 -0.02 0.00 -2.93 0.00 0.00 61.98 58.66 1vbp s VAL 42 Cb 0.07 -0.54 0.07 0.00 -1.53 0.00 0.00 36.38 34.45 1vbp s VAL 42 CO -0.05 -0.28 0.09 -0.63 -3.33 0.00 0.00 175.10 170.90 1vbp s ILE 43 N -1.23 3.16 0.72 7.04 1.01 0.17 -1.73 121.20 130.34 1vbp s ILE 43 Ca -0.13 -1.65 -0.08 0.00 0.00 0.00 0.00 60.65 58.79 1vbp s ILE 43 Cb -0.06 -2.97 0.06 0.00 0.01 0.00 0.00 42.46 39.51 1vbp s ILE 43 CO 0.03 -0.36 1.04 -0.31 0.00 0.00 0.00 174.94 175.35 1vbp s TYR 44 N 1.21 2.95 -0.08 3.97 2.02 -0.78 -0.60 117.35 126.04 1vbp s TYR 44 Ca 0.01 0.53 -0.00 0.00 -0.37 0.00 0.00 57.07 57.24 1vbp s TYR 44 Cb -0.21 -3.23 -0.03 0.00 -0.40 0.00 0.00 41.96 38.09 1vbp s TYR 44 CO -0.02 -1.44 -0.04 0.34 -1.57 0.00 0.00 175.55 172.82 1vbp s ASP 45 N -4.51 4.89 -0.41 2.29 2.15 0.24 -0.48 116.67 120.84 1vbp s ASP 45 Ca 0.60 0.04 0.02 0.00 0.43 0.00 0.00 52.55 53.64 1vbp s ASP 45 Cb -0.11 -1.31 0.14 0.00 -0.30 0.00 0.00 42.92 41.34 1vbp s ASP 45 CO 0.46 0.36 0.25 -0.22 -0.17 0.00 0.00 175.17 175.85 1vbp s LEU 46 N -0.81 1.95 -0.61 -1.34 0.20 0.69 -1.90 118.68 116.87 1vbp s LEU 46 Ca 0.12 -2.54 -0.01 0.00 0.69 0.00 0.00 54.13 52.39 1vbp s LEU 46 Cb -0.11 -0.74 -0.01 0.00 -0.43 0.00 0.00 46.19 44.90 1vbp s LEU 46 CO 0.02 -0.27 0.51 0.59 -0.29 0.00 0.00 176.35 176.92 1vbp n ASN 47 N 3.61 -2.73 0.00 3.68 4.13 -1.26 -3.48 115.26 119.22 1vbp n ASN 47 Ca 0.13 -0.34 0.00 0.00 1.68 0.00 0.00 54.58 56.05 1vbp n ASN 47 Cb 0.37 -2.95 0.00 0.00 -1.54 0.00 0.00 39.78 35.65 1vbp n ASN 47 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1vbp n GLY 48 N -1.15 2.94 3.46 7.41 0.00 -1.26 -5.00 105.19 111.59 1vbp n GLY 48 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1vbp n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vbp s ASP 49 N -0.55 3.89 0.43 1.61 -0.00 -1.23 -5.09 116.67 115.73 1vbp s ASP 49 Ca 0.00 -0.31 -0.26 0.00 -0.00 0.00 0.00 52.55 51.99 1vbp s ASP 49 Cb 0.00 -0.73 -0.09 0.00 -0.00 0.00 0.00 42.92 42.10 1vbp s ASP 49 CO 0.00 0.30 1.34 -2.65 -0.00 0.00 0.00 175.17 174.17 1vbp n PRO 50 N 1.96 2.10 -3.69 8.23 -0.02 -1.26 -0.22 135.00 142.10 1vbp n PRO 50 Ca -0.16 0.75 -0.25 0.00 -2.02 0.00 0.00 63.50 61.81 1vbp n PRO 50 Cb 0.52 -2.49 -0.17 0.00 -0.02 0.00 0.00 33.50 31.34 1vbp n PRO 50 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1vbp s PHE 51 N -1.19 0.52 -0.22 6.00 2.19 0.36 -4.79 117.98 120.86 1vbp s PHE 51 Ca 0.60 -0.36 -0.29 0.00 0.33 0.00 0.00 56.93 57.21 1vbp s PHE 51 Cb -0.49 -0.78 -0.04 0.00 -1.31 0.00 0.00 43.02 40.40 1vbp s PHE 51 CO 0.58 -0.46 1.88 -1.12 1.83 0.00 0.00 175.22 177.94 1vbp s SER 52 N 2.03 6.00 0.77 6.13 0.01 -1.26 -1.87 113.70 125.50 1vbp s SER 52 Ca 0.02 1.75 -0.12 0.00 1.31 0.00 0.00 55.95 58.91 1vbp s SER 52 Cb -0.15 -2.52 0.06 0.00 0.21 0.00 0.00 66.02 63.61 1vbp s SER 52 CO -0.07 -1.55 1.13 -0.83 0.41 0.00 0.00 173.24 172.33 1vbp s GLY 53 N 5.90 1.61 0.40 3.44 0.00 -0.70 -4.97 107.32 112.99 1vbp s GLY 53 Ca 0.84 -0.47 -0.26 0.00 0.00 0.00 0.00 44.72 44.83 1vbp s GLY 53 CO 0.34 -0.03 1.30 -1.05 0.00 0.00 0.00 173.10 173.66 1vbp n PRO 54 N -3.23 2.06 -3.14 2.90 -0.02 -1.26 -4.71 135.00 127.59 1vbp n PRO 54 Ca 0.07 0.73 -0.39 0.00 -2.02 0.00 0.00 63.50 61.89 1vbp n PRO 54 Cb 0.59 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 1vbp n PRO 54 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1vbp s LYS 55 N -2.13 4.37 -0.47 -0.52 -0.14 -1.26 -4.56 119.74 115.02 1vbp s LYS 55 Ca 0.59 0.92 0.08 0.00 -1.36 0.00 0.00 55.97 56.21 1vbp s LYS 55 Cb -0.52 -3.25 0.32 0.00 -1.68 0.00 0.00 37.83 32.70 1vbp s LYS 55 CO 0.60 0.60 0.78 0.72 -0.76 0.00 0.00 175.35 177.29 1vbp n HIS 56 N 1.70 1.83 -1.83 3.18 8.25 -1.11 -5.05 115.22 122.19 1vbp n HIS 56 Ca -0.08 -3.89 -0.31 0.00 -0.26 0.00 0.00 57.72 53.18 1vbp n HIS 56 Cb 0.50 -0.45 0.02 0.00 1.12 0.00 0.00 29.99 31.18 1vbp n HIS 56 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1vbp s THR 57 N -2.99 4.26 -0.06 1.59 -4.23 -1.26 -1.12 115.64 111.84 1vbp s THR 57 Ca 0.42 0.82 0.01 0.00 -1.18 0.00 0.00 61.69 61.77 1vbp s THR 57 Cb 0.28 -3.58 0.02 0.00 1.34 0.00 0.00 72.50 70.56 1vbp s THR 57 CO -0.10 -0.87 -0.07 -0.55 -0.54 0.00 0.00 174.62 172.49 1vbp s SER 58 N -3.67 1.36 0.50 3.99 0.15 -1.26 -4.83 113.70 109.94 1vbp s SER 58 Ca 0.58 -0.20 0.23 0.00 0.70 0.00 0.00 55.95 57.26 1vbp s SER 58 Cb -0.13 -0.61 1.31 0.00 -1.71 0.00 0.00 66.02 64.88 1vbp s SER 58 CO 0.49 -0.03 1.97 0.50 1.20 0.00 0.00 173.24 177.37 1vbp h LYS 59 N 7.23 0.11 -6.11 5.44 1.63 -1.97 -3.44 116.57 119.46 1vbp h LYS 59 Ca -0.34 -0.01 -0.70 0.00 -0.85 0.00 0.00 60.65 58.76 1vbp h LYS 59 Cb 1.16 -0.02 0.08 0.00 -0.60 0.00 0.00 32.23 32.85 1vbp h LYS 59 CO 0.46 0.07 -0.10 1.28 -3.45 0.00 0.00 179.45 177.71 1vbp n LEU 60 N -4.40 0.03 -2.98 5.20 7.99 -1.26 -4.76 117.00 116.82 1vbp n LEU 60 Ca 0.12 1.14 -0.24 0.00 -0.01 0.00 0.00 56.01 57.02 1vbp n LEU 60 Cb 0.61 -1.03 -0.04 0.00 -0.11 0.00 0.00 43.42 42.85 1vbp n LEU 60 CO 0.36 -2.13 2.41 -0.81 -1.51 0.00 0.00 177.39 175.71 1vbp n PRO 61 N 1.34 2.38 -2.36 3.23 -0.04 -1.26 -4.89 135.00 133.39 1vbp n PRO 61 Ca 0.17 -1.49 -0.25 0.00 -0.04 0.00 0.00 63.50 61.89 1vbp n PRO 61 Cb 0.20 -2.41 0.12 0.00 -0.04 0.00 0.00 33.50 31.37 1vbp n PRO 61 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1vbp s TYR 62 N 2.67 1.79 -0.10 0.54 1.51 -1.26 -5.02 117.35 117.48 1vbp s TYR 62 Ca 0.50 -0.02 -0.21 0.00 -1.01 0.00 0.00 57.07 56.32 1vbp s TYR 62 Cb 0.15 -3.31 -0.04 0.00 -0.11 0.00 0.00 41.96 38.65 1vbp s TYR 62 CO -0.03 -1.90 0.60 0.15 -1.11 0.00 0.00 175.55 173.26 1vbp s LYS 63 N -5.34 4.38 0.14 -0.62 -0.14 0.19 -4.72 119.74 113.62 1vbp s LYS 63 Ca 0.67 0.69 -0.10 0.00 -1.36 0.00 0.00 55.97 55.87 1vbp s LYS 63 Cb -0.06 -3.45 -0.06 0.00 -1.68 0.00 0.00 37.83 32.58 1vbp s LYS 63 CO 0.46 0.08 0.47 -0.80 -0.76 0.00 0.00 175.35 174.80 1vbp s ASN 64 N 0.75 6.66 -0.13 2.83 0.01 -1.26 -0.47 114.94 123.33 1vbp s ASN 64 Ca 0.32 0.86 -0.07 0.00 -0.71 0.00 0.00 52.86 53.27 1vbp s ASN 64 Cb -0.17 -2.20 0.05 0.00 0.41 0.00 0.00 41.25 39.34 1vbp s ASN 64 CO 0.14 0.09 0.31 0.68 -1.51 0.00 0.00 177.10 176.81 1vbp s VAL 65 N -1.54 -0.05 -0.22 1.60 -7.23 -1.08 -4.98 120.40 106.90 1vbp s VAL 65 Ca 0.38 0.13 -0.08 0.00 -1.81 0.00 0.00 61.98 60.60 1vbp s VAL 65 Cb -0.13 -0.47 -0.04 0.00 0.56 0.00 0.00 36.38 36.30 1vbp s VAL 65 CO 0.20 0.05 0.08 -0.54 -0.31 0.00 0.00 175.10 174.59 1vbp s LYS 66 N 1.34 3.86 -0.54 4.82 1.02 -1.26 -2.55 119.74 126.43 1vbp s LYS 66 Ca -0.09 -0.39 -0.12 0.00 0.02 0.00 0.00 55.97 55.39 1vbp s LYS 66 Cb -0.10 -3.32 0.14 0.00 -0.52 0.00 0.00 37.83 34.03 1vbp s LYS 66 CO -0.10 0.05 0.46 0.42 -0.92 0.00 0.00 175.35 175.25 1vbp s ILE 67 N 1.01 4.73 -0.33 2.17 1.01 0.11 -4.95 121.20 124.95 1vbp s ILE 67 Ca 0.05 -1.80 -0.23 0.00 0.00 0.00 0.00 60.65 58.67 1vbp s ILE 67 Cb -0.14 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.28 1vbp s ILE 67 CO 0.03 -0.84 0.74 -1.61 0.00 0.00 0.00 174.94 173.26 1vbp s GLU 68 N 1.27 3.85 -0.07 2.79 2.02 -1.26 -1.41 118.70 125.89 1vbp s GLU 68 Ca 0.06 0.38 -0.14 0.00 0.02 0.00 0.00 54.97 55.30 1vbp s GLU 68 Cb -0.26 -3.77 -0.05 0.00 0.10 0.00 0.00 34.13 30.16 1vbp s GLU 68 CO -0.00 -0.73 0.35 -0.51 0.02 0.00 0.00 175.26 174.39 1vbp s LEU 69 N 2.93 4.38 0.00 1.80 1.02 -1.17 -4.96 118.68 122.68 1vbp s LEU 69 Ca 0.30 0.77 -0.03 0.00 0.02 0.00 0.00 54.13 55.19 1vbp s LEU 69 Cb -0.14 -2.47 -0.11 0.00 0.02 0.00 0.00 46.19 43.49 1vbp s LEU 69 CO 0.14 0.25 1.92 0.29 0.02 0.00 0.00 176.35 178.97 1vbp n LYS 70 N 2.48 0.94 -1.75 1.70 5.02 -1.26 -4.88 118.16 120.41 1vbp n LYS 70 Ca -0.14 -0.42 -0.40 0.00 -2.02 0.00 0.00 58.31 55.34 1vbp n LYS 70 Cb 0.53 -1.66 0.02 0.00 -0.02 0.00 0.00 35.03 33.90 1vbp n LYS 70 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1vbp n PHE 71 N 2.54 2.56 1.19 2.13 7.35 -1.24 -1.11 117.46 130.87 1vbp n PHE 71 Ca 0.18 0.44 0.13 0.00 -0.76 0.00 0.00 57.45 57.44 1vbp n PHE 71 Cb 0.44 -2.43 0.26 0.00 0.35 0.00 0.00 39.48 38.09 1vbp n PHE 71 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1vbp n PRO 72 N -0.34 2.03 -0.02 -7.13 -0.04 -1.26 -4.81 135.00 123.44 1vbp n PRO 72 Ca 0.06 -1.53 -0.01 0.00 -0.04 0.00 0.00 63.50 61.99 1vbp n PRO 72 Cb 0.42 -1.47 0.27 0.00 -0.04 0.00 0.00 33.50 32.68 1vbp n PRO 72 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1vbp h ASP 73 N 3.73 0.53 -3.36 3.54 3.32 -1.82 -3.42 116.42 118.95 1vbp h ASP 73 Ca 0.00 -0.11 -0.67 0.00 0.02 0.00 0.00 57.03 56.27 1vbp h ASP 73 Cb 0.80 -0.14 -0.14 0.00 0.22 0.00 0.00 39.33 40.07 1vbp h ASP 73 CO 0.00 0.61 -0.64 -0.70 -1.72 0.00 0.00 179.24 176.79 1vbp s GLU 74 N -4.95 2.87 0.03 3.56 2.12 -0.26 -4.93 118.70 117.13 1vbp s GLU 74 Ca -0.08 -0.53 -0.27 0.00 0.36 0.00 0.00 54.97 54.45 1vbp s GLU 74 Cb 0.15 -2.72 0.08 0.00 0.26 0.00 0.00 34.13 31.91 1vbp s GLU 74 CO 0.77 0.66 0.71 -0.59 -0.54 0.00 0.00 175.26 176.27 1vbp s PHE 75 N -0.99 -0.53 0.28 5.30 -0.12 -1.26 -3.73 117.98 116.92 1vbp s PHE 75 Ca 0.17 0.61 -0.30 0.00 -0.05 0.00 0.00 56.93 57.36 1vbp s PHE 75 Cb -0.11 0.49 -0.13 0.00 -0.63 0.00 0.00 43.02 42.64 1vbp s PHE 75 CO 0.07 -0.67 1.31 1.28 -0.05 0.00 0.00 175.22 177.16 1vbp n LEU 76 N 0.19 3.08 -0.05 -1.99 4.32 -1.26 -2.34 117.00 118.95 1vbp n LEU 76 Ca -0.16 1.17 -0.02 0.00 -0.02 0.00 0.00 56.01 56.98 1vbp n LEU 76 Cb 0.61 -1.43 -0.13 0.00 -1.62 0.00 0.00 43.42 40.86 1vbp n LEU 76 CO 0.16 -0.61 -0.90 1.21 -1.22 0.00 0.00 177.39 176.03 1vbp n GLU 77 N 1.31 1.13 -3.51 3.23 2.13 0.18 -4.75 120.64 120.35 1vbp n GLU 77 Ca 0.09 -0.06 -0.13 0.00 0.66 0.00 0.00 57.16 57.72 1vbp n GLU 77 Cb 0.33 -1.40 -0.04 0.00 0.27 0.00 0.00 31.44 30.60 1vbp n GLU 77 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1vbp s SER 78 N -4.59 -0.52 -0.06 4.31 1.04 -0.92 -1.94 113.70 111.02 1vbp s SER 78 Ca -0.07 0.36 0.02 0.00 0.48 0.00 0.00 55.95 56.75 1vbp s SER 78 Cb 0.07 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.67 1vbp s SER 78 CO 0.66 -0.62 -0.12 -0.69 0.98 0.00 0.00 173.24 173.44 1vbp s VAL 79 N -2.06 1.10 0.24 5.02 1.01 -1.17 -1.80 120.40 122.75 1vbp s VAL 79 Ca -0.03 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1vbp s VAL 79 Cb -0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1vbp s VAL 79 CO -0.00 0.34 0.14 -0.94 0.00 0.00 0.00 175.10 174.64 1vbp s SER 80 N 0.54 0.75 0.00 3.32 1.04 -0.32 -1.06 113.70 117.97 1vbp s SER 80 Ca -0.12 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 54.86 1vbp s SER 80 Cb -0.14 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1vbp s SER 80 CO 0.03 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1vbp n GLY 81 N -0.40 0.27 3.38 7.32 0.00 -0.92 0.68 105.19 115.53 1vbp n GLY 81 Ca 0.02 -1.18 -0.26 0.00 0.00 0.00 0.00 46.02 44.60 1vbp n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vbp s TYR 82 N -2.00 2.16 0.10 1.61 1.51 -1.15 -1.38 117.35 118.20 1vbp s TYR 82 Ca 0.00 -0.39 0.06 0.00 -1.01 0.00 0.00 57.07 55.73 1vbp s TYR 82 Cb 0.00 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.70 1vbp s TYR 82 CO 0.00 0.39 -0.16 0.95 -1.11 0.00 0.00 175.55 175.62 1vbp s THR 83 N -1.49 1.36 0.00 -0.71 -4.23 -0.90 -0.51 115.64 109.15 1vbp s THR 83 Ca 0.16 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1vbp s THR 83 Cb -0.08 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.36 1vbp s THR 83 CO 0.08 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 1vbp n GLY 84 N 0.89 2.47 3.59 3.99 0.00 -0.45 -2.16 105.19 113.52 1vbp n GLY 84 Ca -0.18 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 1vbp n GLY 84 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1vbp n PRO 85 N -0.71 -0.92 -4.50 1.61 -0.02 -1.26 -1.35 135.00 127.85 1vbp n PRO 85 Ca 0.00 -0.21 -0.32 0.00 -2.02 0.00 0.00 63.50 60.95 1vbp n PRO 85 Cb 0.00 -2.25 -0.16 0.00 -0.02 0.00 0.00 33.50 31.06 1vbp n PRO 85 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1vbp s PHE 86 N -2.55 2.55 0.19 6.00 2.19 -1.26 -4.85 117.98 120.25 1vbp s PHE 86 Ca 0.66 -1.33 -0.21 0.00 0.33 0.00 0.00 56.93 56.38 1vbp s PHE 86 Cb -0.23 -1.76 0.13 0.00 -1.31 0.00 0.00 43.02 39.86 1vbp s PHE 86 CO 0.61 -0.63 1.58 1.03 1.83 0.00 0.00 175.22 179.63 1vbp h SER 87 N 7.50 -1.26 0.00 6.13 0.87 -1.95 -0.32 113.55 124.51 1vbp h SER 87 Ca -0.35 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1vbp h SER 87 Cb 1.18 0.63 0.00 0.00 -0.44 0.00 0.00 62.40 63.76 1vbp h SER 87 CO 0.56 -0.30 0.00 0.00 -0.53 0.00 0.00 176.83 176.55 1vbp n ALA 88 N -3.21 1.97 -2.68 6.23 0.00 -1.26 -4.80 120.51 116.76 1vbp n ALA 88 Ca 0.05 -0.06 -0.28 0.00 0.00 0.00 0.00 53.44 53.15 1vbp n ALA 88 Cb 0.36 -1.16 -0.08 0.00 0.00 0.00 0.00 19.45 18.58 1vbp n ALA 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1vbp s LEU 89 N -1.72 3.40 -0.05 0.00 1.43 -0.13 -5.02 118.68 116.58 1vbp s LEU 89 Ca 0.14 -0.28 -0.25 0.00 -1.03 0.00 0.00 54.13 52.71 1vbp s LEU 89 Cb 0.07 -2.09 -0.20 0.00 0.03 0.00 0.00 46.19 44.00 1vbp s LEU 89 CO 0.11 0.13 1.04 0.00 0.23 0.00 0.00 176.35 177.85 1vbp h ALA 90 N 3.03 -0.08 -2.90 4.21 0.00 -1.87 -3.45 119.26 118.21 1vbp h ALA 90 Ca -0.47 -0.29 -0.53 0.00 0.00 0.00 0.00 54.91 53.62 1vbp h ALA 90 Cb 1.18 0.03 0.08 0.00 0.00 0.00 0.00 17.79 19.09 1vbp h ALA 90 CO 0.59 -0.23 0.69 0.95 0.00 0.00 0.00 179.25 181.26 1vbp s THR 91 N -3.58 2.46 -1.49 0.00 -4.23 -1.26 -4.93 115.64 102.61 1vbp s THR 91 Ca -0.15 0.46 0.09 0.00 -1.18 0.00 0.00 61.69 60.91 1vbp s THR 91 Cb 0.00 -3.29 0.34 0.00 1.34 0.00 0.00 72.50 70.89 1vbp s THR 91 CO 0.61 0.11 1.19 -0.81 -0.54 0.00 0.00 174.62 175.18 1vbp n PRO 92 N 0.70 2.20 -1.74 3.99 -0.04 -1.26 -4.64 135.00 134.21 1vbp n PRO 92 Ca 0.00 -1.35 -0.29 0.00 -0.04 0.00 0.00 63.50 61.83 1vbp n PRO 92 Cb 0.41 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.50 1vbp n PRO 92 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1vbp s THR 93 N -1.65 1.98 0.44 0.52 -4.23 -1.26 -4.82 115.64 106.63 1vbp s THR 93 Ca 0.24 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.77 1vbp s THR 93 Cb 0.15 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 71.10 1vbp s THR 93 CO 0.13 0.00 0.65 -2.84 -0.54 0.00 0.00 174.62 172.02 1vbp s PRO 94 N -5.52 2.99 0.31 3.99 0.02 -1.26 -4.08 135.00 131.44 1vbp s PRO 94 Ca 0.65 -0.64 -0.10 0.00 0.02 0.00 0.00 61.00 60.92 1vbp s PRO 94 Cb -0.11 -2.60 0.01 0.00 0.02 0.00 0.00 34.50 31.82 1vbp s PRO 94 CO 0.52 -0.28 0.55 0.14 -0.33 0.00 0.00 177.00 177.60 1vbp s VAL 95 N -2.52 0.00 -0.84 3.83 -7.23 -0.46 -3.02 120.40 110.18 1vbp s VAL 95 Ca 0.49 -1.37 -0.25 0.00 -1.81 0.00 0.00 61.98 59.04 1vbp s VAL 95 Cb -0.10 -2.47 0.02 0.00 0.56 0.00 0.00 36.38 34.38 1vbp s VAL 95 CO 0.37 0.00 1.54 -0.69 -0.31 0.00 0.00 175.10 176.01 1vbp s VAL 96 N -3.35 3.68 0.07 1.32 1.01 -0.67 -1.34 120.40 121.11 1vbp s VAL 96 Ca 0.23 -0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.93 1vbp s VAL 96 Cb -0.02 -4.65 -0.21 0.00 0.00 0.00 0.00 36.38 31.50 1vbp s VAL 96 CO 0.13 -1.57 1.20 0.03 0.00 0.00 0.00 175.10 174.89 1vbp h ARG 97 N 11.01 0.67 -5.07 2.72 2.47 -1.06 0.96 114.38 126.07 1vbp h ARG 97 Ca -0.06 -0.66 -0.46 0.00 -1.26 0.00 0.00 59.98 57.54 1vbp h ARG 97 Cb 1.05 0.18 -0.14 0.00 -1.65 0.00 0.00 29.97 29.41 1vbp h ARG 97 CO 1.31 1.26 -0.58 0.45 0.56 0.00 0.00 179.97 182.97 1vbp s SER 98 N -7.12 2.13 -0.29 7.04 0.15 -0.71 -0.69 113.70 114.20 1vbp s SER 98 Ca -0.11 -1.47 -0.15 0.00 0.70 0.00 0.00 55.95 54.92 1vbp s SER 98 Cb 0.07 0.17 0.14 0.00 -1.71 0.00 0.00 66.02 64.69 1vbp s SER 98 CO 0.90 -0.75 0.90 -0.22 1.20 0.00 0.00 173.24 175.27 1vbp s LEU 99 N -3.47 -0.67 -0.13 3.45 2.96 -0.83 -2.93 118.68 117.07 1vbp s LEU 99 Ca 0.33 0.99 -0.01 0.00 -0.22 0.00 0.00 54.13 55.22 1vbp s LEU 99 Cb 0.07 1.86 0.03 0.00 0.50 0.00 0.00 46.19 48.65 1vbp s LEU 99 CO 0.15 -0.15 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.10 1vbp s THR 100 N 1.96 0.86 -0.21 3.68 2.01 0.21 -1.36 115.64 122.80 1vbp s THR 100 Ca -0.07 -0.35 -0.08 0.00 0.31 0.00 0.00 61.69 61.51 1vbp s THR 100 Cb -0.06 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 1vbp s THR 100 CO -0.17 0.20 0.09 -0.36 -0.69 0.00 0.00 174.62 173.69 1vbp s PHE 101 N 1.75 3.23 -0.07 4.92 0.08 -0.61 -1.17 117.98 126.11 1vbp s PHE 101 Ca 0.03 0.00 0.04 0.00 0.12 0.00 0.00 56.93 57.13 1vbp s PHE 101 Cb -0.14 -2.16 -0.02 0.00 -0.57 0.00 0.00 43.02 40.14 1vbp s PHE 101 CO -0.07 0.02 -0.20 0.15 -0.10 0.00 0.00 175.22 175.01 1vbp s LYS 102 N 0.82 2.69 0.36 0.44 1.02 -0.74 0.10 119.74 124.42 1vbp s LYS 102 Ca 0.05 -0.81 0.07 0.00 0.02 0.00 0.00 55.97 55.30 1vbp s LYS 102 Cb -0.13 -2.30 -0.02 0.00 -0.52 0.00 0.00 37.83 34.85 1vbp s LYS 102 CO 0.02 0.41 0.33 -0.08 -0.92 0.00 0.00 175.35 175.12 1vbp s THR 103 N -0.21 3.34 -0.60 2.17 -1.32 -0.34 0.47 115.64 119.14 1vbp s THR 103 Ca -0.01 -1.33 0.23 0.00 -1.21 0.00 0.00 61.69 59.36 1vbp s THR 103 Cb -0.13 -3.15 0.23 0.00 -1.51 0.00 0.00 72.50 67.95 1vbp s THR 103 CO 0.03 -0.13 1.69 -0.46 -2.21 0.00 0.00 174.62 173.55 1vbp n ASN 104 N -1.44 0.57 -1.75 8.08 0.23 -0.99 -2.57 115.26 117.40 1vbp n ASN 104 Ca -0.00 0.63 -0.01 0.00 -0.53 0.00 0.00 54.58 54.67 1vbp n ASN 104 Cb 0.60 -0.75 0.29 0.00 -2.08 0.00 0.00 39.78 37.84 1vbp n ASN 104 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1vbp n LYS 105 N -2.12 3.69 -0.99 -3.83 4.76 -1.26 -4.88 118.16 113.53 1vbp n LYS 105 Ca 0.03 -2.58 0.00 0.00 -2.87 0.00 0.00 58.31 52.89 1vbp n LYS 105 Cb 0.25 -2.10 0.00 0.00 -1.84 0.00 0.00 35.03 31.34 1vbp n LYS 105 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vbp n GLY 106 N 0.17 0.30 3.86 0.72 0.00 -1.06 -5.00 105.19 104.18 1vbp n GLY 106 Ca 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 1vbp n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vbp s ARG 107 N -0.82 3.88 -0.02 1.61 0.52 -1.25 -4.91 118.95 117.95 1vbp s ARG 107 Ca 0.00 0.61 0.01 0.00 -0.52 0.00 0.00 55.73 55.83 1vbp s ARG 107 Cb 0.00 -2.37 0.01 0.00 0.52 0.00 0.00 34.95 33.11 1vbp s ARG 107 CO 0.00 -0.00 -0.04 0.99 0.02 0.00 0.00 175.30 176.27 1vbp s THR 108 N -2.27 0.41 -0.17 0.02 2.01 -1.26 -1.20 115.64 113.17 1vbp s THR 108 Ca 0.53 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.40 1vbp s THR 108 Cb -0.10 -0.40 0.01 0.00 0.01 0.00 0.00 72.50 72.03 1vbp s THR 108 CO 0.26 0.15 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.80 1vbp s PHE 109 N 0.37 2.76 0.00 4.92 0.40 0.11 -5.00 117.98 121.55 1vbp s PHE 109 Ca -0.04 -1.45 0.00 0.00 -0.60 0.00 0.00 56.93 54.84 1vbp s PHE 109 Cb -0.08 -1.90 0.00 0.00 0.51 0.00 0.00 43.02 41.55 1vbp s PHE 109 CO -0.00 -0.70 0.00 0.41 0.70 0.00 0.00 175.22 175.63 1vbp n GLY 110 N 4.42 -0.72 3.75 4.36 0.00 -1.26 -1.58 105.19 114.17 1vbp n GLY 110 Ca -0.20 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 43.67 1vbp n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vbp s PRO 111 N 0.00 3.24 -0.01 1.61 0.04 -1.26 -4.99 135.00 133.63 1vbp s PRO 111 Ca 0.00 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1vbp s PRO 111 Cb 0.00 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1vbp s PRO 111 CO 0.00 -1.09 0.03 0.71 0.04 0.00 0.00 177.00 176.69 1vbp s TYR 112 N -1.34 3.16 0.00 0.56 2.02 -0.46 -4.93 117.35 116.35 1vbp s TYR 112 Ca 0.70 0.14 0.00 0.00 -0.37 0.00 0.00 57.07 57.54 1vbp s TYR 112 Cb -0.38 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.47 1vbp s TYR 112 CO 0.46 0.49 0.00 0.41 -1.57 0.00 0.00 175.55 175.34 1vbp n GLY 113 N 1.42 -0.21 3.53 0.71 0.00 -1.26 -1.96 105.19 107.42 1vbp n GLY 113 Ca -0.15 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.47 1vbp n GLY 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vbp s ASP 114 N -4.00 4.82 -1.35 1.61 1.11 0.13 -4.83 116.67 114.17 1vbp s ASP 114 Ca 0.00 -0.08 -0.07 0.00 0.18 0.00 0.00 52.55 52.58 1vbp s ASP 114 Cb 0.00 -1.66 0.11 0.00 1.07 0.00 0.00 42.92 42.44 1vbp s ASP 114 CO 0.00 0.22 2.33 -0.62 1.18 0.00 0.00 175.17 178.28 1vbp n GLU 115 N 3.18 4.28 -4.81 8.23 1.02 -1.26 -2.50 120.64 128.78 1vbp n GLU 115 Ca -0.18 -3.34 -0.29 0.00 -0.02 0.00 0.00 57.16 53.34 1vbp n GLU 115 Cb 0.53 -2.72 -0.14 0.00 -0.02 0.00 0.00 31.44 29.08 1vbp n GLU 115 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1vbp s GLU 116 N -0.44 1.66 0.67 3.49 2.56 -1.26 -5.04 118.70 120.34 1vbp s GLU 116 Ca 0.52 -1.07 0.00 0.00 0.00 0.00 0.00 54.97 54.42 1vbp s GLU 116 Cb 0.16 -1.84 0.00 0.00 2.00 0.00 0.00 34.13 34.46 1vbp s GLU 116 CO -0.07 0.47 0.00 0.41 -0.56 0.00 0.00 175.26 175.51 1vbp n GLY 117 N 1.76 -1.52 3.67 -1.50 0.00 -1.26 -3.99 105.19 102.34 1vbp n GLY 117 Ca -0.17 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 1vbp n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vbp s THR 118 N 0.00 4.23 0.47 2.61 -4.23 -0.92 -4.81 115.64 112.99 1vbp s THR 118 Ca 0.00 1.51 -0.19 0.00 -1.18 0.00 0.00 61.69 61.83 1vbp s THR 118 Cb 0.00 -3.97 -0.10 0.00 1.34 0.00 0.00 72.50 69.77 1vbp s THR 118 CO 0.00 -0.10 0.97 -0.47 -0.54 0.00 0.00 174.62 174.49 1vbp s TYR 119 N 3.19 3.30 -0.05 3.99 5.04 -1.26 -2.12 117.35 129.44 1vbp s TYR 119 Ca 0.56 1.56 -0.02 0.00 -2.44 0.00 0.00 57.07 56.73 1vbp s TYR 119 Cb -0.23 -2.86 0.04 0.00 0.35 0.00 0.00 41.96 39.25 1vbp s TYR 119 CO 0.17 -0.30 0.11 -0.59 -1.34 0.00 0.00 175.55 173.60 1vbp s PHE 120 N -2.30 -0.11 -0.04 4.97 -0.12 -0.48 -4.98 117.98 114.93 1vbp s PHE 120 Ca 0.62 0.38 0.02 0.00 -0.05 0.00 0.00 56.93 57.89 1vbp s PHE 120 Cb -0.10 -0.13 0.01 0.00 -0.63 0.00 0.00 43.02 42.17 1vbp s PHE 120 CO 0.20 -0.14 -0.07 1.21 -0.05 0.00 0.00 175.22 176.36 1vbp s ASN 121 N 1.13 1.13 -0.64 1.98 2.47 -1.26 -2.16 114.94 117.59 1vbp s ASN 121 Ca -0.09 -0.17 0.04 0.00 0.42 0.00 0.00 52.86 53.05 1vbp s ASN 121 Cb -0.12 -0.42 0.16 0.00 -1.45 0.00 0.00 41.25 39.42 1vbp s ASN 121 CO -0.05 0.02 0.42 -0.22 -3.72 0.00 0.00 177.10 173.55 1vbp s LEU 122 N 0.49 4.71 -0.20 3.21 1.98 -0.22 -5.02 118.68 123.63 1vbp s LEU 122 Ca -0.08 -3.46 -0.29 0.00 -2.89 0.00 0.00 54.13 47.41 1vbp s LEU 122 Cb -0.11 -1.67 0.00 0.00 0.66 0.00 0.00 46.19 45.07 1vbp s LEU 122 CO 0.01 -0.17 1.02 -2.84 -1.89 0.00 0.00 176.35 172.48 1vbp s PRO 123 N -0.92 4.30 -0.28 0.98 0.02 -1.26 -3.03 135.00 134.80 1vbp s PRO 123 Ca 0.21 1.35 -0.09 0.00 0.02 0.00 0.00 61.00 62.49 1vbp s PRO 123 Cb -0.14 -3.62 -0.03 0.00 0.02 0.00 0.00 34.50 30.74 1vbp s PRO 123 CO -0.09 -0.55 0.14 0.42 -0.33 0.00 0.00 177.00 176.59 1vbp s ILE 124 N 2.89 4.71 -0.10 2.83 1.01 -0.82 -4.95 121.20 126.78 1vbp s ILE 124 Ca 0.45 -0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.99 1vbp s ILE 124 Cb -0.16 -3.30 -0.24 0.00 0.01 0.00 0.00 42.46 38.77 1vbp s ILE 124 CO 0.09 0.20 0.45 -0.62 0.00 0.00 0.00 174.94 175.06 1vbp n GLU 125 N 4.99 0.68 -3.66 2.79 1.02 -1.26 -4.86 120.64 120.33 1vbp n GLU 125 Ca -0.15 0.24 -0.12 0.00 -0.02 0.00 0.00 57.16 57.12 1vbp n GLU 125 Cb 0.51 -1.72 -0.12 0.00 -0.02 0.00 0.00 31.44 30.09 1vbp n GLU 125 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1vbp s ASN 126 N -6.30 0.13 0.00 1.62 2.47 -1.26 -5.12 114.94 106.48 1vbp s ASN 126 Ca -0.12 0.73 0.00 0.00 0.42 0.00 0.00 52.86 53.89 1vbp s ASN 126 Cb 0.07 0.91 0.00 0.00 -1.45 0.00 0.00 41.25 40.79 1vbp s ASN 126 CO 0.80 -0.24 0.00 0.61 -3.72 0.00 0.00 177.10 174.55 1vbp n GLY 127 N 5.33 2.44 3.03 1.21 0.00 -1.26 -4.98 105.19 110.95 1vbp n GLY 127 Ca -0.07 -2.02 -0.16 0.00 0.00 0.00 0.00 46.02 43.76 1vbp n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vbp s LEU 128 N 0.00 2.10 0.02 0.99 1.02 0.50 -4.98 118.68 118.34 1vbp s LEU 128 Ca 0.00 -0.29 -0.30 0.00 0.02 0.00 0.00 54.13 53.56 1vbp s LEU 128 Cb 0.00 -0.33 -0.04 0.00 0.02 0.00 0.00 46.19 45.84 1vbp s LEU 128 CO 0.00 -0.00 1.04 -0.63 0.02 0.00 0.00 176.35 176.77 1vbp s ILE 129 N -0.59 4.62 0.00 -0.59 1.01 -1.26 -2.10 121.20 122.28 1vbp s ILE 129 Ca -0.01 1.89 0.00 0.00 0.00 0.00 0.00 60.65 62.53 1vbp s ILE 129 Cb -0.05 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.20 1vbp s ILE 129 CO 0.00 0.16 0.39 0.55 0.00 0.00 0.00 174.94 176.04 1vbp n VAL 130 N 3.84 0.07 -3.53 2.92 3.14 0.07 -4.28 118.33 120.57 1vbp n VAL 130 Ca 0.07 -0.37 -0.17 0.00 -2.96 0.00 0.00 64.34 60.90 1vbp n VAL 130 Cb 0.50 1.25 -0.06 0.00 -1.06 0.00 0.00 33.84 34.47 1vbp n VAL 130 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1vbp s GLY 131 N -0.07 -0.55 -0.08 7.55 0.00 -1.20 -1.34 107.32 111.65 1vbp s GLY 131 Ca 0.00 1.10 0.05 0.00 0.00 0.00 0.00 44.72 45.88 1vbp s GLY 131 CO 0.00 0.76 -0.24 -1.36 0.00 0.00 0.00 173.10 172.26 1vbp s PHE 132 N -1.59 2.47 0.27 1.90 0.08 -1.26 0.32 117.98 120.17 1vbp s PHE 132 Ca -0.09 -0.86 0.12 0.00 0.12 0.00 0.00 56.93 56.21 1vbp s PHE 132 Cb -0.00 -1.64 -0.05 0.00 -0.57 0.00 0.00 43.02 40.76 1vbp s PHE 132 CO 0.06 -0.30 -0.20 0.21 -0.10 0.00 0.00 175.22 174.88 1vbp s LYS 133 N 0.06 1.64 0.00 0.44 2.20 -0.61 -1.97 119.74 121.51 1vbp s LYS 133 Ca -0.10 -1.73 0.00 0.00 -0.36 0.00 0.00 55.97 53.78 1vbp s LYS 133 Cb -0.16 -1.75 0.00 0.00 -1.51 0.00 0.00 37.83 34.41 1vbp s LYS 133 CO 0.06 0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.79 1vbp n GLY 134 N -0.49 -1.32 2.80 5.54 0.00 -0.79 0.32 105.19 111.24 1vbp n GLY 134 Ca -0.06 -0.95 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 1vbp n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vbp s ARG 135 N -0.75 0.00 -0.10 1.61 0.52 -0.95 -0.44 118.95 118.85 1vbp s ARG 135 Ca 0.00 0.14 -0.02 0.00 -0.52 0.00 0.00 55.73 55.33 1vbp s ARG 135 Cb 0.00 -0.22 0.03 0.00 0.52 0.00 0.00 34.95 35.29 1vbp s ARG 135 CO 0.00 -0.13 0.00 0.99 0.02 0.00 0.00 175.30 176.18 1vbp s THR 136 N 0.83 0.46 0.00 0.02 2.01 -0.98 0.54 115.64 118.53 1vbp s THR 136 Ca -0.07 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1vbp s THR 136 Cb -0.10 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.74 1vbp s THR 136 CO -0.02 0.18 0.00 0.61 -0.69 0.00 0.00 174.62 174.70 1vbp n GLY 137 N 5.11 0.09 0.03 4.40 0.00 -1.26 -2.80 105.19 110.76 1vbp n GLY 137 Ca -0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.02 1vbp n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vbp n ASP 138 N -0.03 0.08 -3.98 1.61 9.92 -1.26 -4.91 116.55 117.99 1vbp n ASP 138 Ca 0.00 0.03 -0.09 0.00 -0.53 0.00 0.00 54.79 54.21 1vbp n ASP 138 Cb 0.00 1.71 -0.05 0.00 -0.64 0.00 0.00 41.12 42.14 1vbp n ASP 138 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 1vbp s LEU 139 N -4.74 0.25 -0.39 0.64 0.05 -1.26 -4.46 118.68 108.77 1vbp s LEU 139 Ca -0.08 -0.89 -0.33 0.00 0.05 0.00 0.00 54.13 52.89 1vbp s LEU 139 Cb 0.12 1.88 -0.10 0.00 -2.05 0.00 0.00 46.19 46.04 1vbp s LEU 139 CO 0.89 -1.16 2.26 -0.11 -0.55 0.00 0.00 176.35 177.67 1vbp n LEU 140 N -0.39 2.21 -0.05 1.48 7.94 -0.50 -4.51 117.00 123.19 1vbp n LEU 140 Ca -0.02 0.25 -0.13 0.00 -1.11 0.00 0.00 56.01 55.00 1vbp n LEU 140 Cb 0.62 -1.33 -0.12 0.00 0.53 0.00 0.00 43.42 43.12 1vbp n LEU 140 CO 0.21 -0.83 0.41 0.44 -1.11 0.00 0.00 177.39 176.52 1vbp h ASP 141 N 13.68 -0.01 -5.48 1.96 5.19 -0.23 -1.79 116.42 129.74 1vbp h ASP 141 Ca -0.27 -0.84 -0.22 0.00 -0.62 0.00 0.00 57.03 55.07 1vbp h ASP 141 Cb 1.30 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.72 1vbp h ASP 141 CO 1.05 0.87 -0.26 0.00 -3.12 0.00 0.00 179.24 177.77 1vbp s ALA 142 N -2.63 0.63 -0.16 3.45 0.00 -0.69 -2.07 121.76 120.29 1vbp s ALA 142 Ca -0.17 -1.41 -0.29 0.00 0.00 0.00 0.00 51.96 50.09 1vbp s ALA 142 Cb -0.02 1.19 0.10 0.00 0.00 0.00 0.00 23.12 24.39 1vbp s ALA 142 CO 0.65 -0.77 0.85 -1.50 0.00 0.00 0.00 175.76 174.99 1vbp s ILE 143 N -3.53 0.00 0.18 0.00 2.07 0.08 -2.23 121.20 117.77 1vbp s ILE 143 Ca 0.30 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.56 1vbp s ILE 143 Cb 0.01 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.59 1vbp s ILE 143 CO 0.16 0.00 0.21 0.61 -1.91 0.00 0.00 174.94 174.01 1vbp n GLY 144 N 1.38 2.99 3.23 1.50 0.00 0.15 -0.74 105.19 113.70 1vbp n GLY 144 Ca -0.14 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 1vbp n GLY 144 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1vbp s ILE 145 N -2.68 0.12 0.11 -0.61 -4.36 -0.75 -1.57 121.20 111.47 1vbp s ILE 145 Ca 0.18 -1.31 0.06 0.00 -0.26 0.00 0.00 60.65 59.32 1vbp s ILE 145 Cb 0.00 -1.52 -0.04 0.00 1.25 0.00 0.00 42.46 42.15 1vbp s ILE 145 CO 0.13 -0.56 -0.03 -1.00 0.24 0.00 0.00 174.94 173.72 1vbp s HIS 146 N -3.90 2.90 0.00 1.37 3.76 0.15 -2.17 115.29 117.40 1vbp s HIS 146 Ca 0.09 -0.08 -0.12 0.00 -0.15 0.00 0.00 55.06 54.81 1vbp s HIS 146 Cb 0.05 -1.48 0.01 0.00 1.11 0.00 0.00 32.58 32.27 1vbp s HIS 146 CO -0.07 0.47 0.24 -1.64 -0.85 0.00 0.00 174.74 172.89 1vbp s MET 147 N -2.40 0.62 0.36 1.40 1.00 -0.05 -0.75 119.30 119.49 1vbp s MET 147 Ca 0.25 -0.34 -0.08 0.00 0.00 0.00 0.00 55.69 55.52 1vbp s MET 147 Cb -0.11 0.27 0.03 0.00 0.00 0.00 0.00 34.83 35.01 1vbp s MET 147 CO 0.17 -0.17 0.61 0.45 0.00 0.00 0.00 175.02 176.09 1vbp s SER 148 N -1.49 0.56 0.00 3.03 0.15 -0.89 -2.52 113.70 112.54 1vbp s SER 148 Ca -0.12 -1.35 0.25 0.00 0.70 0.00 0.00 55.95 55.42 1vbp s SER 148 Cb -0.05 0.75 0.33 0.00 -1.71 0.00 0.00 66.02 65.34 1vbp s SER 148 CO 0.02 -1.47 1.34 0.18 1.20 0.00 0.00 173.24 174.51