#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vkr s ILE 2 N 0.00 2.49 -0.10 -0.61 2.07 0.49 -4.89 121.20 120.65 2vkr s ILE 2 Ca 0.00 0.45 -0.29 0.00 -1.41 0.00 0.00 60.65 59.40 2vkr s ILE 2 Cb 0.00 -3.29 -0.06 0.00 0.13 0.00 0.00 42.46 39.24 2vkr s ILE 2 CO 0.00 0.09 1.92 -0.62 -1.91 0.00 0.00 174.94 174.42 2vkr s ASP 3 N 0.06 6.18 0.29 4.50 2.15 -1.26 -4.85 116.67 123.73 2vkr s ASP 3 Ca 0.56 2.16 0.25 0.00 0.43 0.00 0.00 52.55 55.95 2vkr s ASP 3 Cb -0.43 -2.53 1.02 0.00 -0.30 0.00 0.00 42.92 40.68 2vkr s ASP 3 CO 0.50 -1.34 1.75 1.55 -0.17 0.00 0.00 175.17 177.46 2vkr h PRO 4 N 11.77 0.00 -0.37 4.34 0.13 -2.00 -2.78 132.00 143.08 2vkr h PRO 4 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2vkr h PRO 4 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2vkr h PRO 4 CO 0.96 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.82 2vkr n ASN 5 N -2.35 4.11 -0.37 1.44 3.02 -1.26 -4.68 115.26 115.17 2vkr n ASN 5 Ca 0.02 -2.75 -0.02 0.00 -0.03 0.00 0.00 54.58 51.80 2vkr n ASN 5 Cb 0.25 -0.51 0.12 0.00 -0.61 0.00 0.00 39.78 39.02 2vkr n ASN 5 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2vkr h TYR 6 N 2.47 1.26 -0.64 3.10 -0.00 -1.89 -2.19 116.97 119.08 2vkr h TYR 6 Ca 0.00 0.03 0.06 0.00 -0.00 0.00 0.00 58.73 58.82 2vkr h TYR 6 Cb 1.40 -0.43 -0.04 0.00 -0.00 0.00 0.00 36.73 37.67 2vkr h TYR 6 CO 0.58 0.79 0.43 0.00 -0.00 0.00 0.00 178.16 179.95 2vkr h ARG 7 N 1.35 0.64 -0.02 0.10 3.08 -1.86 0.17 114.38 117.85 2vkr h ARG 7 Ca 0.37 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2vkr h ARG 7 Cb -0.15 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.76 2vkr h ARG 7 CO -0.08 0.42 -0.38 -2.37 -1.07 0.00 0.00 179.97 176.49 2vkr n THR 8 N -4.47 0.00 0.06 2.04 5.66 -1.10 -4.49 114.28 111.97 2vkr n THR 8 Ca 0.09 -0.31 0.04 0.00 -3.05 0.00 0.00 64.05 60.82 2vkr n THR 8 Cb 0.22 1.26 -0.06 0.00 -1.55 0.00 0.00 70.33 70.20 2vkr n THR 8 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2vkr n SER 9 N 0.08 2.74 -4.67 1.09 3.41 -0.61 -5.04 113.62 110.63 2vkr n SER 9 Ca 0.09 -0.12 -0.28 0.00 -0.26 0.00 0.00 58.87 58.30 2vkr n SER 9 Cb 0.43 1.28 -0.08 0.00 -0.26 0.00 0.00 64.21 65.59 2vkr n SER 9 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2vkr s ARG 10 N -2.38 2.43 -0.11 4.33 0.52 -0.05 -5.05 118.95 118.65 2vkr s ARG 10 Ca -0.02 -1.03 -0.30 0.00 -0.52 0.00 0.00 55.73 53.87 2vkr s ARG 10 Cb 0.05 -2.41 -0.02 0.00 0.52 0.00 0.00 34.95 33.09 2vkr s ARG 10 CO 0.31 0.48 1.14 1.14 0.02 0.00 0.00 175.30 178.39 2vkr s GLN 11 N -2.74 4.34 -0.30 3.54 0.00 -1.26 -4.86 119.66 118.37 2vkr s GLN 11 Ca 0.27 1.55 -0.29 0.00 -0.00 0.00 0.00 55.36 56.89 2vkr s GLN 11 Cb -0.10 -3.60 -0.00 0.00 0.00 0.00 0.00 33.01 29.31 2vkr s GLN 11 CO 0.18 -0.49 1.34 0.08 0.00 0.00 0.00 175.29 176.41 2vkr s VAL 12 N 2.54 4.08 -0.80 3.63 1.01 -1.26 -1.32 120.40 128.27 2vkr s VAL 12 Ca 0.52 1.21 0.22 0.00 0.00 0.00 0.00 61.98 63.93 2vkr s VAL 12 Cb -0.21 -4.11 -0.21 0.00 0.00 0.00 0.00 36.38 31.85 2vkr s VAL 12 CO 0.17 -0.47 0.90 1.33 0.00 0.00 0.00 175.10 177.03 2vkr n VAL 13 N 6.28 0.02 -0.48 2.92 0.24 -0.75 -4.94 118.33 121.63 2vkr n VAL 13 Ca 0.15 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 2vkr n VAL 13 Cb 0.46 0.69 0.00 0.00 -1.47 0.00 0.00 33.84 33.52 2vkr n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2vkr n GLY 14 N 1.45 -1.55 3.44 7.63 0.00 -1.24 -5.04 105.19 109.88 2vkr n GLY 14 Ca 0.03 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 2vkr n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2vkr s GLU 15 N -1.79 1.88 -0.13 1.61 -6.30 -1.26 -1.29 118.70 111.43 2vkr s GLU 15 Ca 0.00 -1.09 -0.03 0.00 -2.50 0.00 0.00 54.97 51.35 2vkr s GLU 15 Cb 0.00 -2.10 0.05 0.00 0.00 0.00 0.00 34.13 32.07 2vkr s GLU 15 CO 0.00 0.51 0.05 -1.58 0.02 0.00 0.00 175.26 174.26 2vkr s HIS 16 N -0.97 0.51 -1.70 5.30 5.65 0.61 -4.90 115.29 119.79 2vkr s HIS 16 Ca 0.15 -0.32 -0.14 0.00 0.25 0.00 0.00 55.06 55.00 2vkr s HIS 16 Cb -0.10 -0.77 0.13 0.00 -1.18 0.00 0.00 32.58 30.66 2vkr s HIS 16 CO 0.06 -0.43 0.47 1.04 -0.65 0.00 0.00 174.74 175.23 2vkr n GLN 17 N 5.19 -1.68 0.00 2.88 1.13 -1.26 -0.95 117.38 122.69 2vkr n GLN 17 Ca -0.07 0.22 0.00 0.00 -1.94 0.00 0.00 57.00 55.21 2vkr n GLN 17 Cb 0.49 -4.51 0.00 0.00 0.11 0.00 0.00 30.24 26.33 2vkr n GLN 17 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2vkr n GLY 18 N -1.64 1.16 3.60 1.08 0.00 -1.26 -4.92 105.19 103.22 2vkr n GLY 18 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 2vkr n GLY 18 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2vkr s HIS 19 N -2.29 2.66 0.41 1.61 -3.43 -0.12 -5.09 115.29 109.04 2vkr s HIS 19 Ca 0.00 -0.22 -0.13 0.00 -0.80 0.00 0.00 55.06 53.91 2vkr s HIS 19 Cb 0.00 -1.25 -0.08 0.00 -1.43 0.00 0.00 32.58 29.83 2vkr s HIS 19 CO 0.00 0.56 0.82 0.15 -2.00 0.00 0.00 174.74 174.27 2vkr s LYS 20 N -3.19 3.90 -0.13 -0.38 1.02 -1.26 -0.28 119.74 119.42 2vkr s LYS 20 Ca 0.28 0.66 0.03 0.00 0.02 0.00 0.00 55.97 56.96 2vkr s LYS 20 Cb -0.08 -2.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 2vkr s LYS 20 CO 0.17 -0.04 -0.22 0.08 -0.92 0.00 0.00 175.35 174.42 2vkr s VAL 21 N -2.32 2.15 -0.25 3.17 1.01 -0.41 0.05 120.40 123.79 2vkr s VAL 21 Ca 0.54 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 2vkr s VAL 21 Cb -0.10 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2vkr s VAL 21 CO 0.27 0.55 0.13 -0.31 0.00 0.00 0.00 175.10 175.74 2vkr s TYR 22 N 0.62 3.19 1.00 5.22 2.02 0.19 -1.81 117.35 127.78 2vkr s TYR 22 Ca -0.11 -0.07 -0.17 0.00 -0.37 0.00 0.00 57.07 56.35 2vkr s TYR 22 Cb -0.16 -2.28 0.22 0.00 -0.40 0.00 0.00 41.96 39.33 2vkr s TYR 22 CO 0.03 -0.17 1.30 0.20 -1.57 0.00 0.00 175.55 175.34 2vkr s GLY 23 N 1.48 1.77 0.53 0.71 0.00 -0.43 -1.76 107.32 109.61 2vkr s GLY 23 Ca 0.06 -1.20 -0.16 0.00 0.00 0.00 0.00 44.72 43.42 2vkr s GLY 23 CO 0.07 -0.40 1.00 2.56 0.00 0.00 0.00 173.10 176.33 2vkr s PRO 24 N -5.85 3.82 0.03 2.90 0.04 -1.26 -4.41 135.00 130.27 2vkr s PRO 24 Ca 0.74 1.00 0.08 0.00 0.04 0.00 0.00 61.00 62.86 2vkr s PRO 24 Cb -0.04 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 2vkr s PRO 24 CO 0.54 -0.38 -0.23 0.14 0.04 0.00 0.00 177.00 177.11 2vkr s VAL 25 N -2.60 1.84 -0.46 -0.36 -7.23 -1.26 -3.74 120.40 106.58 2vkr s VAL 25 Ca 0.60 -1.20 0.06 0.00 -1.81 0.00 0.00 61.98 59.62 2vkr s VAL 25 Cb -0.11 -1.57 0.18 0.00 0.56 0.00 0.00 36.38 35.43 2vkr s VAL 25 CO 0.33 0.33 0.59 -0.62 -0.31 0.00 0.00 175.10 175.42 2vkr s ASP 26 N -1.05 -0.57 0.67 4.85 2.15 0.50 -4.96 116.67 118.27 2vkr s ASP 26 Ca 0.09 -1.86 -0.16 0.00 0.43 0.00 0.00 52.55 51.05 2vkr s ASP 26 Cb -0.09 1.27 0.01 0.00 -0.30 0.00 0.00 42.92 43.81 2vkr s ASP 26 CO 0.01 -0.12 1.17 -2.84 -0.17 0.00 0.00 175.17 173.23 2vkr s PRO 27 N 0.91 2.56 0.00 4.34 0.02 -1.03 0.09 135.00 141.89 2vkr s PRO 27 Ca 0.27 1.65 0.23 0.00 0.02 0.00 0.00 61.00 63.17 2vkr s PRO 27 Cb -0.02 -1.90 0.63 0.00 0.02 0.00 0.00 34.50 33.23 2vkr s PRO 27 CO -0.08 -1.48 1.50 -0.35 -0.33 0.00 0.00 177.00 176.25 2vkr n PRO 28 N -2.34 2.02 0.01 5.54 -0.04 -1.26 -4.81 135.00 134.12 2vkr n PRO 28 Ca 0.12 -1.52 -0.01 0.00 -0.04 0.00 0.00 63.50 62.05 2vkr n PRO 28 Cb 0.51 -1.45 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 2vkr n PRO 28 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2vkr n LYS 29 N 0.77 0.63 -4.09 0.54 5.02 -1.10 -3.05 118.16 116.89 2vkr n LYS 29 Ca 0.17 0.17 -0.32 0.00 -2.02 0.00 0.00 58.31 56.31 2vkr n LYS 29 Cb 0.45 -1.75 -0.16 0.00 -0.02 0.00 0.00 35.03 33.55 2vkr n LYS 29 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2vkr s VAL 30 N -2.89 1.94 0.00 -0.18 1.01 0.11 -4.66 120.40 115.73 2vkr s VAL 30 Ca -0.04 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2vkr s VAL 30 Cb 0.09 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.65 2vkr s VAL 30 CO 0.82 0.44 0.35 0.18 0.00 0.00 0.00 175.10 176.89 2vkr n LEU 31 N 4.64 0.67 0.00 3.92 4.77 -1.26 0.19 117.00 129.93 2vkr n LEU 31 Ca -0.19 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 2vkr n LEU 31 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2vkr n LEU 31 CO 0.24 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2vkr n GLY 32 N -0.02 -1.33 3.54 -0.72 0.00 -1.25 -4.81 105.19 100.59 2vkr n GLY 32 Ca 0.00 -1.25 -0.34 0.00 0.00 0.00 0.00 46.02 44.44 2vkr n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vkr s ILE 33 N 0.00 3.71 -0.18 -0.61 1.01 -0.73 -1.89 121.20 122.52 2vkr s ILE 33 Ca 0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 60.65 60.13 2vkr s ILE 33 Cb 0.00 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 2vkr s ILE 33 CO 0.00 0.56 0.04 -1.00 0.00 0.00 0.00 174.94 174.54 2vkr s HIS 34 N -0.31 3.20 0.00 3.97 3.76 -0.77 0.57 115.29 125.72 2vkr s HIS 34 Ca 0.05 -0.00 0.00 0.00 -0.15 0.00 0.00 55.06 54.95 2vkr s HIS 34 Cb -0.13 -2.05 0.00 0.00 1.11 0.00 0.00 32.58 31.51 2vkr s HIS 34 CO 0.02 0.12 0.00 0.41 -0.85 0.00 0.00 174.74 174.44 2vkr n GLY 35 N 3.53 2.49 0.84 -2.22 0.00 0.11 -0.75 105.19 109.18 2vkr n GLY 35 Ca -0.17 -1.85 -0.05 0.00 0.00 0.00 0.00 46.02 43.95 2vkr n GLY 35 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2vkr n THR 36 N 1.26 0.51 -0.06 2.61 -1.04 -1.26 -4.32 114.28 111.98 2vkr n THR 36 Ca 0.00 0.02 -0.13 0.00 -2.04 0.00 0.00 64.05 61.90 2vkr n THR 36 Cb 0.00 -1.61 -0.07 0.00 -1.82 0.00 0.00 70.33 66.83 2vkr n THR 36 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2vkr h ILE 37 N -0.19 1.33 -3.73 12.58 2.04 -1.84 -3.40 117.51 124.30 2vkr h ILE 37 Ca -0.11 -1.22 -0.65 0.00 1.00 0.00 0.00 64.86 63.89 2vkr h ILE 37 Cb 0.92 1.81 -0.38 0.00 -0.74 0.00 0.00 36.82 38.42 2vkr h ILE 37 CO -0.06 0.36 -0.78 -0.69 0.00 0.00 0.00 178.15 176.98 2vkr s VAL 38 N -4.42 1.96 -0.22 1.67 1.01 -1.26 -1.34 120.40 117.80 2vkr s VAL 38 Ca -0.14 -1.67 -0.10 0.00 0.00 0.00 0.00 61.98 60.07 2vkr s VAL 38 Cb 0.05 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 2vkr s VAL 38 CO 0.75 -0.20 0.14 -0.83 0.00 0.00 0.00 175.10 174.95 2vkr s GLY 39 N 1.16 1.98 -0.19 4.51 0.00 -0.85 -4.26 107.32 109.67 2vkr s GLY 39 Ca -0.03 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.87 2vkr s GLY 39 CO -0.07 0.28 -0.17 0.14 0.00 0.00 0.00 173.10 173.28 2vkr s VAL 40 N 0.79 2.30 -0.65 1.40 1.01 0.07 -1.95 120.40 123.36 2vkr s VAL 40 Ca 0.07 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 60.93 2vkr s VAL 40 Cb -0.13 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.30 2vkr s VAL 40 CO 0.02 0.52 1.16 -0.62 0.00 0.00 0.00 175.10 176.17 2vkr s ASP 41 N 1.32 6.27 0.54 3.32 -1.08 0.23 -1.84 116.67 125.45 2vkr s ASP 41 Ca 0.05 -0.35 0.29 0.00 -0.52 0.00 0.00 52.55 52.02 2vkr s ASP 41 Cb -0.13 -2.52 1.58 0.00 -1.46 0.00 0.00 42.92 40.38 2vkr s ASP 41 CO -0.11 -1.59 2.12 -0.26 0.52 0.00 0.00 175.17 175.86 2vkr h PHE 42 N 9.71 0.00 0.00 -5.34 -1.00 -1.71 0.42 116.94 119.03 2vkr h PHE 42 Ca -0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.51 2vkr h PHE 42 Cb 1.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.62 2vkr h PHE 42 CO 1.05 0.08 -0.23 -0.25 -1.61 0.00 0.00 178.31 177.35 2vkr n ASP 43 N -3.64 0.47 -0.09 2.17 10.43 -1.25 -3.74 116.55 120.90 2vkr n ASP 43 Ca -0.02 0.30 -0.11 0.00 2.57 0.00 0.00 54.79 57.53 2vkr n ASP 43 Cb 0.20 -0.30 -0.10 0.00 1.84 0.00 0.00 41.12 42.76 2vkr n ASP 43 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2vkr n LEU 44 N -1.84 1.66 -4.63 0.64 4.77 -0.53 -4.88 117.00 112.19 2vkr n LEU 44 Ca 0.06 -0.06 -0.52 0.00 -0.03 0.00 0.00 56.01 55.46 2vkr n LEU 44 Cb 0.38 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 2vkr n LEU 44 CO 0.31 0.63 1.05 0.00 -1.33 0.00 0.00 177.39 178.06 2vkr n ILE 46 N 3.16 0.00 -2.46 0.00 0.00 -1.26 -4.49 119.36 114.32 2vkr n ILE 46 Ca 0.20 -0.08 -0.06 0.00 0.00 0.00 0.00 62.75 62.81 2vkr n ILE 46 Cb 0.20 0.69 0.03 0.00 0.00 0.00 0.00 39.64 40.57 2vkr n ILE 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2vkr n ALA 47 N -1.01 -0.71 -0.11 1.51 0.00 -1.26 -4.62 120.51 114.31 2vkr n ALA 47 Ca 0.07 -0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 2vkr n ALA 47 Cb 0.36 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 2vkr n ALA 47 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2vkr h ASP 48 N -0.62 0.71 0.00 0.00 1.82 -1.92 -3.48 116.42 112.94 2vkr h ASP 48 Ca -0.20 -0.41 0.00 0.00 -0.39 0.00 0.00 57.03 56.03 2vkr h ASP 48 Cb 1.11 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.93 2vkr h ASP 48 CO 0.17 0.97 0.00 0.61 -1.61 0.00 0.00 179.24 179.38 2vkr n GLY 49 N -0.03 0.71 0.33 -0.78 0.00 -1.26 -4.98 105.19 99.18 2vkr n GLY 49 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 2vkr n GLY 49 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2vkr h SER 50 N 0.00 -0.66 -0.94 1.61 0.02 -1.92 -2.81 113.55 108.85 2vkr h SER 50 Ca 0.00 -0.01 0.26 0.00 -0.84 0.00 0.00 61.79 61.20 2vkr h SER 50 Cb 0.00 0.17 -0.14 0.00 0.14 0.00 0.00 62.40 62.57 2vkr h SER 50 CO 0.00 -0.41 0.44 0.00 -1.14 0.00 0.00 176.83 175.72 2vkr h ILE 52 N 0.35 1.29 0.00 0.00 2.04 -1.94 -2.43 117.51 116.82 2vkr h ILE 52 Ca 0.63 -1.44 -0.04 0.00 1.00 0.00 0.00 64.86 65.01 2vkr h ILE 52 Cb 1.30 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 2vkr h ILE 52 CO -0.58 0.46 -0.18 0.74 0.00 0.00 0.00 178.15 178.59 2vkr h THR 53 N 0.48 0.55 0.00 -0.27 2.02 -0.16 -3.31 112.91 112.24 2vkr h THR 53 Ca 0.06 -0.85 -0.34 0.00 0.77 0.00 0.00 66.41 66.04 2vkr h THR 53 Cb 0.81 1.57 -0.06 0.00 -1.74 0.00 0.00 68.15 68.73 2vkr h THR 53 CO 0.07 0.17 -2.15 0.00 0.37 0.00 0.00 175.52 173.98 2vkr n ALA 54 N -2.25 1.48 -2.14 6.16 0.00 -0.56 -4.93 120.51 118.27 2vkr n ALA 54 Ca -0.01 -1.11 -0.42 0.00 0.00 0.00 0.00 53.44 51.89 2vkr n ALA 54 Cb 0.34 -0.42 -0.03 0.00 0.00 0.00 0.00 19.45 19.35 2vkr n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vkr n PRO 56 N 6.67 0.10 -0.02 0.00 -0.04 -1.26 -3.42 135.00 137.02 2vkr n PRO 56 Ca 0.16 0.29 0.02 0.00 -0.04 0.00 0.00 63.50 63.93 2vkr n PRO 56 Cb 0.43 -1.67 0.03 0.00 -0.04 0.00 0.00 33.50 32.25 2vkr n PRO 56 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2vkr n VAL 57 N -1.85 1.16 -3.33 0.52 0.31 -1.26 -5.03 118.33 108.85 2vkr n VAL 57 Ca 0.03 -1.24 -0.16 0.00 -0.01 0.00 0.00 64.34 62.96 2vkr n VAL 57 Cb 0.23 0.35 0.08 0.00 -0.91 0.00 0.00 33.84 33.59 2vkr n VAL 57 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2vkr n ASN 58 N -0.69 -3.70 -0.06 4.52 4.13 -1.22 -4.95 115.26 113.29 2vkr n ASN 58 Ca 0.03 -0.64 -0.15 0.00 1.68 0.00 0.00 54.58 55.50 2vkr n ASN 58 Cb 0.34 -5.06 -0.06 0.00 -1.54 0.00 0.00 39.78 33.46 2vkr n ASN 58 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2vkr h VAL 59 N -1.56 1.30 -3.12 2.41 2.07 -1.86 -3.39 116.25 112.10 2vkr h VAL 59 Ca -0.58 -1.74 -0.59 0.00 0.82 0.00 0.00 66.70 64.61 2vkr h VAL 59 Cb 1.32 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.88 2vkr h VAL 59 CO 0.47 0.55 -0.30 -0.36 0.02 0.00 0.00 177.57 177.95 2vkr s PHE 60 N -3.99 3.52 -0.06 1.57 0.08 -1.26 0.67 117.98 118.51 2vkr s PHE 60 Ca -0.12 0.63 -0.03 0.00 0.12 0.00 0.00 56.93 57.54 2vkr s PHE 60 Cb 0.08 -2.05 0.03 0.00 -0.57 0.00 0.00 43.02 40.51 2vkr s PHE 60 CO 0.86 0.48 0.14 -1.14 -0.10 0.00 0.00 175.22 175.46 2vkr s GLN 61 N -2.30 0.10 0.26 0.44 0.74 0.65 -4.89 119.66 114.66 2vkr s GLN 61 Ca 0.37 0.32 -0.29 0.00 0.05 0.00 0.00 55.36 55.80 2vkr s GLN 61 Cb -0.13 -0.12 -0.14 0.00 1.10 0.00 0.00 33.01 33.72 2vkr s GLN 61 CO 0.21 -0.13 1.05 0.91 -0.55 0.00 0.00 175.29 176.78 2vkr n TRP 62 N 3.89 1.28 -3.99 1.67 5.03 -1.26 -0.75 117.44 123.31 2vkr n TRP 62 Ca -0.23 0.69 -0.20 0.00 3.03 0.00 0.00 57.50 60.80 2vkr n TRP 62 Cb 0.54 -2.26 -0.17 0.00 -1.03 0.00 0.00 31.31 28.39 2vkr n TRP 62 CO 0.00 0.00 0.00 -0.47 -0.03 0.00 0.00 177.69 177.19 2vkr s TYR 63 N -0.84 0.61 0.03 -5.99 6.14 0.18 -4.78 117.35 112.69 2vkr s TYR 63 Ca 0.62 -0.14 -0.30 0.00 0.64 0.00 0.00 57.07 57.89 2vkr s TYR 63 Cb -0.73 -0.63 -0.04 0.00 0.42 0.00 0.00 41.96 40.98 2vkr s TYR 63 CO 0.58 -0.21 0.98 -0.51 0.64 0.00 0.00 175.55 177.03 2vkr s ASP 64 N 1.24 7.39 -0.43 4.32 -0.00 -1.26 0.58 116.67 128.50 2vkr s ASP 64 Ca -0.06 1.70 0.08 0.00 -0.00 0.00 0.00 52.55 54.27 2vkr s ASP 64 Cb -0.14 -2.57 0.25 0.00 -0.00 0.00 0.00 42.92 40.46 2vkr s ASP 64 CO -0.02 -0.23 0.57 0.35 -0.00 0.00 0.00 175.17 175.84 2vkr n THR 65 N 3.65 -0.15 -1.73 -1.27 -2.24 0.05 -4.94 114.28 107.65 2vkr n THR 65 Ca 0.05 -4.24 -0.42 0.00 -2.27 0.00 0.00 64.05 57.17 2vkr n THR 65 Cb 0.50 -1.92 -0.02 0.00 -2.10 0.00 0.00 70.33 66.79 2vkr n THR 65 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2vkr n PRO 66 N 1.27 2.67 -0.26 -0.78 -0.04 -1.26 -2.09 135.00 134.51 2vkr n PRO 66 Ca 0.23 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.64 2vkr n PRO 66 Cb 0.51 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 2vkr n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2vkr n GLY 67 N 2.64 0.76 3.72 0.55 0.00 -1.26 -4.82 105.19 106.78 2vkr n GLY 67 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2vkr n GLY 67 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2vkr s HIS 68 N -2.61 3.48 0.61 1.61 5.04 -0.89 -4.23 115.29 118.30 2vkr s HIS 68 Ca 0.00 1.40 0.43 0.00 -1.54 0.00 0.00 55.06 55.34 2vkr s HIS 68 Cb 0.00 -3.38 2.29 0.00 0.04 0.00 0.00 32.58 31.53 2vkr s HIS 68 CO 0.00 -1.08 2.33 -1.00 -2.34 0.00 0.00 174.74 172.65 2vkr h PRO 69 N 6.21 0.00 0.00 2.88 0.13 -1.83 -2.89 132.00 136.51 2vkr h PRO 69 Ca -0.43 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.44 2vkr h PRO 69 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 2vkr h PRO 69 CO 0.78 0.00 -1.85 0.00 -0.23 0.00 0.00 178.00 176.70 2vkr n ALA 70 N -2.10 1.67 -3.64 -0.56 0.00 -1.26 -5.03 120.51 109.60 2vkr n ALA 70 Ca -0.03 -0.87 -0.03 0.00 0.00 0.00 0.00 53.44 52.52 2vkr n ALA 70 Cb 0.10 -0.68 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 2vkr n ALA 70 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2vkr s SER 71 N -5.75 -0.04 0.00 0.00 1.04 -1.09 -4.68 113.70 103.18 2vkr s SER 71 Ca -0.06 0.01 0.25 0.00 0.48 0.00 0.00 55.95 56.63 2vkr s SER 71 Cb 0.08 0.04 0.51 0.00 0.10 0.00 0.00 66.02 66.74 2vkr s SER 71 CO 0.83 -0.06 1.43 -0.62 0.98 0.00 0.00 173.24 175.80 2vkr n GLU 72 N 0.04 1.92 -3.96 4.02 -0.58 -1.26 -4.00 120.64 116.82 2vkr n GLU 72 Ca 0.04 -1.44 -0.09 0.00 -0.42 0.00 0.00 57.16 55.25 2vkr n GLU 72 Cb 0.57 -1.47 -0.10 0.00 -0.57 0.00 0.00 31.44 29.86 2vkr n GLU 72 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2vkr s LYS 73 N -2.07 0.43 0.07 3.49 2.20 -1.26 -0.77 119.74 121.83 2vkr s LYS 73 Ca 0.31 -0.67 -0.02 0.00 -0.36 0.00 0.00 55.97 55.23 2vkr s LYS 73 Cb 0.20 0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.64 2vkr s LYS 73 CO 0.35 -0.09 0.01 0.15 -0.36 0.00 0.00 175.35 175.41 2vkr s LYS 74 N -1.94 0.69 -0.54 4.03 1.02 0.20 -4.18 119.74 119.02 2vkr s LYS 74 Ca -0.11 -1.24 -0.27 0.00 0.02 0.00 0.00 55.97 54.37 2vkr s LYS 74 Cb -0.06 0.23 0.03 0.00 -0.52 0.00 0.00 37.83 37.51 2vkr s LYS 74 CO -0.02 -0.15 1.10 0.00 -0.92 0.00 0.00 175.35 175.35 2vkr s ALA 75 N -3.94 3.09 -0.17 5.17 0.00 -1.26 0.49 121.76 125.14 2vkr s ALA 75 Ca 0.10 -0.83 -0.16 0.00 0.00 0.00 0.00 51.96 51.07 2vkr s ALA 75 Cb 0.08 -3.90 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 2vkr s ALA 75 CO -0.08 -2.45 0.39 0.34 0.00 0.00 0.00 175.76 173.96 2vkr s ASP 76 N 2.74 6.49 -1.56 0.00 2.15 0.07 -4.83 116.67 121.73 2vkr s ASP 76 Ca 0.41 0.57 -0.11 0.00 0.43 0.00 0.00 52.55 53.85 2vkr s ASP 76 Cb -0.09 -2.23 -0.05 0.00 -0.30 0.00 0.00 42.92 40.25 2vkr s ASP 76 CO 0.26 -0.02 2.72 -0.81 -0.17 0.00 0.00 175.17 177.15 2vkr n PRO 77 N 4.09 3.41 0.24 4.34 -0.04 -1.26 -0.26 135.00 145.52 2vkr n PRO 77 Ca -0.09 -2.30 0.12 0.00 -0.04 0.00 0.00 63.50 61.18 2vkr n PRO 77 Cb 0.51 -2.94 0.57 0.00 -0.04 0.00 0.00 33.50 31.61 2vkr n PRO 77 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 2vkr h ILE 78 N 3.32 0.49 -0.47 0.52 2.10 -1.60 -2.81 117.51 119.07 2vkr h ILE 78 Ca 0.78 -0.88 -0.05 0.00 1.08 0.00 0.00 64.86 65.79 2vkr h ILE 78 Cb 0.39 1.61 -0.03 0.00 -1.09 0.00 0.00 36.82 37.69 2vkr h ILE 78 CO 1.82 0.17 0.05 0.59 -1.08 0.00 0.00 178.15 179.69 2vkr n ASN 79 N -3.42 4.65 0.28 2.19 5.03 0.21 -4.75 115.26 119.44 2vkr n ASN 79 Ca -0.00 -3.07 0.08 0.00 0.87 0.00 0.00 54.58 52.45 2vkr n ASN 79 Cb 0.36 -0.64 0.42 0.00 -1.02 0.00 0.00 39.78 38.90 2vkr n ASN 79 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.26 176.48 2vkr h GLU 80 N 2.69 0.00 0.00 3.52 4.11 -1.64 1.38 114.58 124.64 2vkr h GLU 80 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 2vkr h GLU 80 Cb 1.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.07 2vkr h GLU 80 CO 0.43 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.55 2vkr n GLN 81 N -2.47 0.18 0.00 1.06 1.13 -1.26 -3.04 117.38 112.97 2vkr n GLN 81 Ca -0.01 0.22 0.13 0.00 -1.94 0.00 0.00 57.00 55.40 2vkr n GLN 81 Cb 0.56 -1.74 0.42 0.00 0.11 0.00 0.00 30.24 29.59 2vkr n GLN 81 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2vkr n ALA 82 N -1.70 3.01 -1.70 -1.58 0.00 0.47 -4.94 120.51 114.07 2vkr n ALA 82 Ca 0.05 -0.25 -0.44 0.00 0.00 0.00 0.00 53.44 52.81 2vkr n ALA 82 Cb 0.35 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 2vkr n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vkr n ILE 84 N 2.44 2.25 -3.78 0.00 -5.35 -1.26 -4.99 119.36 108.66 2vkr n ILE 84 Ca 0.12 -2.23 -0.28 0.00 -0.27 0.00 0.00 62.75 60.09 2vkr n ILE 84 Cb 0.33 -0.27 0.04 0.00 -1.74 0.00 0.00 39.64 38.01 2vkr n ILE 84 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2vkr n PHE 85 N -0.90 -2.48 0.25 4.28 3.72 -1.26 -4.86 117.46 116.21 2vkr n PHE 85 Ca 0.22 0.92 0.13 0.00 -0.05 0.00 0.00 57.45 58.68 2vkr n PHE 85 Cb 0.85 -4.30 0.59 0.00 -0.94 0.00 0.00 39.48 35.68 2vkr n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2vkr n MET 87 N -3.34 -0.10 0.01 0.00 2.81 -1.26 -4.94 117.12 110.30 2vkr n MET 87 Ca -0.00 0.02 -0.12 0.00 -1.81 0.00 0.00 57.70 55.80 2vkr n MET 87 Cb 0.35 -2.94 -0.07 0.00 -0.71 0.00 0.00 33.22 29.85 2vkr n MET 87 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2vkr h ALA 88 N 0.00 0.06 -0.44 3.04 0.00 -1.95 -3.19 119.26 116.77 2vkr h ALA 88 Ca 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.93 2vkr h ALA 88 Cb 0.05 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2vkr h ALA 88 CO 0.00 -0.40 0.09 0.00 0.00 0.00 0.00 179.25 178.94 2vkr h VAL 90 N 0.22 0.28 -0.00 0.00 3.04 -1.86 -1.45 116.25 116.49 2vkr h VAL 90 Ca 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.91 2vkr h VAL 90 Cb 0.27 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 30.39 2vkr h VAL 90 CO -0.28 0.00 -0.69 0.59 -1.01 0.00 0.00 177.57 176.18 2vkr n ASN 91 N -3.48 1.20 -0.01 3.17 3.02 -0.91 -4.17 115.26 114.08 2vkr n ASN 91 Ca 0.00 -1.10 0.09 0.00 -0.03 0.00 0.00 54.58 53.54 2vkr n ASN 91 Cb 0.29 0.81 -0.13 0.00 -0.61 0.00 0.00 39.78 40.13 2vkr n ASN 91 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2vkr n VAL 92 N -0.94 0.00 -2.21 2.41 0.24 -0.57 -4.90 118.33 112.36 2vkr n VAL 92 Ca 0.05 -0.32 -0.42 0.00 -2.04 0.00 0.00 64.34 61.61 2vkr n VAL 92 Cb 0.32 0.37 -0.03 0.00 -1.47 0.00 0.00 33.84 33.03 2vkr n VAL 92 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2vkr h PRO 94 N 8.26 0.00 -0.20 0.00 0.13 -1.94 -2.88 132.00 135.37 2vkr h PRO 94 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2vkr h PRO 94 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2vkr h PRO 94 CO 0.93 0.00 0.00 1.55 -0.23 0.00 0.00 178.00 180.25 2vkr n VAL 95 N -2.84 2.03 -3.75 1.56 3.14 -1.26 -4.99 118.33 112.22 2vkr n VAL 95 Ca 0.02 -1.86 -0.24 0.00 -2.96 0.00 0.00 64.34 59.30 2vkr n VAL 95 Cb 0.33 -0.15 0.02 0.00 -1.06 0.00 0.00 33.84 32.98 2vkr n VAL 95 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2vkr n ALA 96 N -0.63 -2.12 1.07 1.55 0.00 -1.09 0.19 120.51 119.48 2vkr n ALA 96 Ca 0.18 -0.20 0.12 0.00 0.00 0.00 0.00 53.44 53.54 2vkr n ALA 96 Cb 0.77 -2.29 0.15 0.00 0.00 0.00 0.00 19.45 18.08 2vkr n ALA 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vkr n ALA 97 N -4.25 3.69 -2.53 0.00 0.00 -1.26 0.18 120.51 116.35 2vkr n ALA 97 Ca -0.26 -0.48 -0.32 0.00 0.00 0.00 0.00 53.44 52.38 2vkr n ALA 97 Cb 0.67 -0.98 -0.15 0.00 0.00 0.00 0.00 19.45 18.98 2vkr n ALA 97 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2vkr s ILE 98 N -2.75 2.41 -0.06 0.00 1.01 -1.26 -0.60 121.20 119.95 2vkr s ILE 98 Ca 0.16 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 2vkr s ILE 98 Cb 0.18 -1.89 0.03 0.00 0.01 0.00 0.00 42.46 40.78 2vkr s ILE 98 CO 0.66 0.58 0.00 -0.62 0.00 0.00 0.00 174.94 175.56 2vkr s ASP 99 N -0.45 1.40 -0.15 3.58 2.15 -0.82 -4.79 116.67 117.58 2vkr s ASP 99 Ca 0.05 -0.06 -0.03 0.00 0.43 0.00 0.00 52.55 52.93 2vkr s ASP 99 Cb -0.12 -0.39 -0.03 0.00 -0.30 0.00 0.00 42.92 42.09 2vkr s ASP 99 CO 0.01 -0.18 -0.04 -0.69 -0.17 0.00 0.00 175.17 174.10 2vkr s VAL 100 N 1.84 3.83 0.00 1.11 1.01 -1.26 -2.01 120.40 124.93 2vkr s VAL 100 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.63 2vkr s VAL 100 Cb -0.12 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.58 2vkr s VAL 100 CO -0.04 0.50 0.00 1.17 0.00 0.00 0.00 175.10 176.72 2vkr n LYS 101 N 3.54 0.00 -3.24 2.72 0.00 -0.45 -5.04 118.16 115.69 2vkr n LYS 101 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 58.31 57.74 2vkr n LYS 101 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.49 2vkr n LYS 101 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2vkr s PRO 102 N 0.00 4.16 0.00 1.64 0.04 -1.26 -4.58 135.00 135.00 2vkr s PRO 102 Ca 0.00 0.40 0.13 0.00 0.04 0.00 0.00 61.00 61.57 2vkr s PRO 102 Cb 0.00 -3.58 0.78 0.00 0.04 0.00 0.00 34.50 31.74 2vkr s PRO 102 CO 0.00 -0.20 1.20 -0.35 0.04 0.00 0.00 177.00 177.70