#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bvl s VAL 2 N 0.00 0.50 0.05 5.09 1.01 -1.26 -4.29 120.40 121.50 1bvl s VAL 2 Ca 0.00 0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.82 1bvl s VAL 2 Cb 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 36.38 35.80 1bvl s VAL 2 CO 0.00 0.27 0.43 0.00 0.00 0.00 0.00 175.10 175.81 1bvl s GLN 3 N 1.80 0.95 0.41 2.72 -2.07 -1.20 -5.02 119.66 117.24 1bvl s GLN 3 Ca 0.03 -0.35 0.04 0.00 -1.82 0.00 0.00 55.36 53.26 1bvl s GLN 3 Cb -0.13 0.42 -0.04 0.00 -1.09 0.00 0.00 33.01 32.18 1bvl s GLN 3 CO -0.05 -0.33 0.06 -0.51 -1.32 0.00 0.00 175.29 173.14 1bvl s LEU 4 N -2.02 2.23 -0.30 2.60 1.02 -1.26 -1.74 118.68 119.22 1bvl s LEU 4 Ca -0.05 -1.54 -0.06 0.00 0.02 0.00 0.00 54.13 52.50 1bvl s LEU 4 Cb -0.01 -0.43 0.19 0.00 0.02 0.00 0.00 46.19 45.96 1bvl s LEU 4 CO -0.03 -0.75 0.90 -1.58 0.02 0.00 0.00 176.35 174.91 1bvl s GLN 5 N -3.80 0.29 0.70 1.70 0.74 -0.73 -4.63 119.66 113.92 1bvl s GLN 5 Ca 0.25 0.32 -0.16 0.00 0.05 0.00 0.00 55.36 55.82 1bvl s GLN 5 Cb 0.05 0.15 0.02 0.00 1.10 0.00 0.00 33.01 34.33 1bvl s GLN 5 CO 0.13 -0.50 1.22 -1.21 -0.55 0.00 0.00 175.29 174.38 1bvl s GLU 6 N 2.92 2.31 0.20 1.67 8.01 -1.26 -2.87 118.70 129.69 1bvl s GLU 6 Ca 0.19 1.82 -0.12 0.00 0.01 0.00 0.00 54.97 56.87 1bvl s GLU 6 Cb -0.06 -1.85 0.00 0.00 -4.31 0.00 0.00 34.13 27.92 1bvl s GLU 6 CO -0.22 -1.72 0.41 -1.12 0.01 0.00 0.00 175.26 172.62 1bvl s SER 7 N -1.87 -0.08 0.00 -0.19 0.01 -1.02 -4.79 113.70 105.76 1bvl s SER 7 Ca 0.76 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 57.22 1bvl s SER 7 Cb -0.31 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.45 1bvl s SER 7 CO 0.43 -1.03 0.00 0.61 0.41 0.00 0.00 173.24 173.66 1bvl n GLY 8 N -0.31 2.91 3.38 3.44 0.00 -1.26 -3.27 105.19 110.08 1bvl n GLY 8 Ca -0.06 -1.98 -0.60 0.00 0.00 0.00 0.00 46.02 43.39 1bvl n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bvl n PRO 9 N -1.35 0.23 0.19 1.61 -0.02 -1.26 -4.82 135.00 129.58 1bvl n PRO 9 Ca 0.00 0.07 0.06 0.00 -2.02 0.00 0.00 63.50 61.61 1bvl n PRO 9 Cb 0.00 -1.69 0.29 0.00 -0.02 0.00 0.00 33.50 32.09 1bvl n PRO 9 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1bvl h GLY 10 N 8.88 0.00 -5.72 -1.23 0.00 -1.95 -3.44 103.07 99.61 1bvl h GLY 10 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.74 1bvl h GLY 10 CO 1.06 0.00 -0.77 -2.27 0.00 0.00 0.00 176.54 174.55 1bvl s LEU 11 N -6.78 1.69 0.02 3.11 0.20 -1.26 -0.28 118.68 115.38 1bvl s LEU 11 Ca 0.01 -0.15 0.06 0.00 0.69 0.00 0.00 54.13 54.75 1bvl s LEU 11 Cb 0.10 -0.45 -0.02 0.00 -0.43 0.00 0.00 46.19 45.39 1bvl s LEU 11 CO 0.68 0.03 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.90 1bvl s VAL 12 N 0.34 1.44 -0.14 1.68 1.01 -0.25 -4.92 120.40 119.57 1bvl s VAL 12 Ca -0.05 -1.00 -0.23 0.00 0.00 0.00 0.00 61.98 60.71 1bvl s VAL 12 Cb -0.09 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1bvl s VAL 12 CO 0.00 0.22 0.71 -0.60 0.00 0.00 0.00 175.10 175.44 1bvl s ARG 13 N -0.91 4.33 0.38 2.72 3.52 -1.26 -1.12 118.95 126.62 1bvl s ARG 13 Ca 0.06 0.83 -0.25 0.00 -0.13 0.00 0.00 55.73 56.24 1bvl s ARG 13 Cb -0.08 -3.52 -0.12 0.00 -1.56 0.00 0.00 34.95 29.67 1bvl s ARG 13 CO 0.01 -0.14 0.83 -0.35 -0.81 0.00 0.00 175.30 174.84 1bvl n PRO 14 N 4.57 1.02 0.00 5.12 -0.04 -1.26 -2.14 135.00 142.27 1bvl n PRO 14 Ca 0.00 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 1bvl n PRO 14 Cb 0.50 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 1bvl n PRO 14 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1bvl n SER 15 N 0.97 0.00 -3.89 3.54 3.41 0.78 -4.95 113.62 113.47 1bvl n SER 15 Ca 0.11 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.49 1bvl n SER 15 Cb 0.37 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.46 1bvl n SER 15 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1bvl n GLN 16 N -2.00 -0.58 -3.86 4.33 -0.06 -0.91 -3.80 117.38 110.51 1bvl n GLN 16 Ca 0.00 -2.03 -0.35 0.00 -2.00 0.00 0.00 57.00 52.62 1bvl n GLN 16 Cb 0.00 -0.88 -0.13 0.00 -4.06 0.00 0.00 30.24 25.17 1bvl n GLN 16 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1bvl s THR 17 N -3.06 2.99 0.49 1.69 2.01 -1.26 0.24 115.64 118.74 1bvl s THR 17 Ca 0.61 -1.99 -0.22 0.00 0.31 0.00 0.00 61.69 60.40 1bvl s THR 17 Cb -0.02 -3.02 -0.07 0.00 0.01 0.00 0.00 72.50 69.40 1bvl s THR 17 CO 0.42 -0.55 1.15 -0.22 -0.69 0.00 0.00 174.62 174.72 1bvl s LEU 18 N 1.11 3.92 -0.15 4.42 0.20 -0.58 -4.89 118.68 122.71 1bvl s LEU 18 Ca 0.06 2.24 -0.18 0.00 0.69 0.00 0.00 54.13 56.94 1bvl s LEU 18 Cb -0.21 -4.37 0.05 0.00 -0.43 0.00 0.00 46.19 41.22 1bvl s LEU 18 CO -0.04 -1.01 0.49 -0.94 -0.29 0.00 0.00 176.35 174.55 1bvl s SER 19 N -1.53 -0.48 0.07 3.68 1.04 -1.26 -1.05 113.70 114.17 1bvl s SER 19 Ca 0.67 0.84 0.03 0.00 0.48 0.00 0.00 55.95 57.97 1bvl s SER 19 Cb -0.26 0.87 -0.03 0.00 0.10 0.00 0.00 66.02 66.69 1bvl s SER 19 CO 0.31 -0.25 -0.09 -0.76 0.98 0.00 0.00 173.24 173.43 1bvl s LEU 20 N -0.09 2.35 0.15 2.42 1.43 -0.43 -4.35 118.68 120.15 1bvl s LEU 20 Ca -0.03 -0.72 0.06 0.00 -1.03 0.00 0.00 54.13 52.41 1bvl s LEU 20 Cb -0.03 -0.25 -0.04 0.00 0.03 0.00 0.00 46.19 45.90 1bvl s LEU 20 CO 0.02 -0.24 0.03 -0.89 0.23 0.00 0.00 176.35 175.50 1bvl s THR 21 N -2.06 3.98 -0.25 5.49 2.01 -1.20 -2.03 115.64 121.58 1bvl s THR 21 Ca -0.00 -1.23 -0.03 0.00 0.31 0.00 0.00 61.69 60.73 1bvl s THR 21 Cb -0.05 -2.98 0.08 0.00 0.01 0.00 0.00 72.50 69.56 1bvl s THR 21 CO -0.00 -0.05 0.09 0.00 -0.69 0.00 0.00 174.62 173.97 1bvl s THR 23 N 1.95 4.77 0.70 0.00 2.01 -1.14 -0.10 115.64 123.83 1bvl s THR 23 Ca 0.05 0.09 -0.00 0.00 0.31 0.00 0.00 61.69 62.13 1bvl s THR 23 Cb -0.17 -4.27 0.12 0.00 0.01 0.00 0.00 72.50 68.20 1bvl s THR 23 CO -0.22 -0.69 0.97 0.68 -0.69 0.00 0.00 174.62 174.67 1bvl s VAL 24 N 2.96 2.18 0.00 3.82 -7.23 0.17 -1.77 120.40 120.52 1bvl s VAL 24 Ca 0.23 -0.61 0.00 0.00 -1.81 0.00 0.00 61.98 59.79 1bvl s VAL 24 Cb -0.14 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 34.23 1bvl s VAL 24 CO 0.19 0.00 0.00 -0.24 -0.31 0.00 0.00 175.10 174.74 1bvl n SER 25 N -2.78 0.00 0.00 4.85 2.88 -0.71 -4.75 113.62 113.11 1bvl n SER 25 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1bvl n SER 25 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1bvl n SER 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bvl n GLY 26 N 0.00 -0.32 3.43 0.46 0.00 -1.26 -3.26 105.19 104.23 1bvl n GLY 26 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1bvl n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bvl s PHE 27 N 0.00 1.19 0.13 1.61 -0.71 -1.26 -4.71 117.98 114.22 1bvl s PHE 27 Ca 0.00 -1.36 -0.06 0.00 -1.04 0.00 0.00 56.93 54.47 1bvl s PHE 27 Cb 0.00 -0.25 -0.06 0.00 -1.21 0.00 0.00 43.02 41.50 1bvl s PHE 27 CO 0.00 -1.03 0.39 -1.54 -1.34 0.00 0.00 175.22 171.69 1bvl s SER 28 N -3.25 6.53 0.40 1.98 1.04 -1.26 -5.02 113.70 114.12 1bvl s SER 28 Ca 0.33 0.65 0.26 0.00 0.48 0.00 0.00 55.95 57.67 1bvl s SER 28 Cb 0.01 -2.12 0.74 0.00 0.10 0.00 0.00 66.02 64.75 1bvl s SER 28 CO 0.21 0.08 1.74 -0.07 0.98 0.00 0.00 173.24 176.18 1bvl h LEU 29 N 3.07 0.00 0.08 2.42 -0.00 -1.95 -3.33 115.31 115.61 1bvl h LEU 29 Ca -0.47 0.00 -0.37 0.00 -0.00 0.00 0.00 57.88 57.04 1bvl h LEU 29 Cb 1.17 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.80 1bvl h LEU 29 CO 0.71 0.00 -2.12 0.35 -0.00 0.00 0.00 178.44 177.37 1bvl n THR 30 N -2.85 1.68 -0.26 0.22 -2.24 -1.26 -3.71 114.28 105.85 1bvl n THR 30 Ca 0.03 -0.60 -0.03 0.00 -2.27 0.00 0.00 64.05 61.18 1bvl n THR 30 Cb 0.43 -1.66 0.20 0.00 -2.10 0.00 0.00 70.33 67.20 1bvl n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bvl n GLY 31 N 2.04 2.88 3.12 3.38 0.00 -1.26 -3.68 105.19 111.67 1bvl n GLY 31 Ca -0.37 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 1bvl n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bvl s TYR 32 N -2.08 -0.21 0.08 1.61 2.02 -1.25 -5.00 117.35 112.52 1bvl s TYR 32 Ca 0.35 0.51 -0.05 0.00 -0.37 0.00 0.00 57.07 57.50 1bvl s TYR 32 Cb 0.27 0.07 -0.05 0.00 -0.40 0.00 0.00 41.96 41.86 1bvl s TYR 32 CO 0.09 -0.16 0.31 0.20 -1.57 0.00 0.00 175.55 174.42 1bvl s GLY 33 N -0.16 2.24 -0.21 0.71 0.00 -1.25 -3.29 107.32 105.36 1bvl s GLY 33 Ca -0.03 -0.60 0.02 0.00 0.00 0.00 0.00 44.72 44.11 1bvl s GLY 33 CO 0.01 -0.48 -0.15 0.14 0.00 0.00 0.00 173.10 172.62 1bvl s VAL 34 N -1.49 2.04 0.08 1.40 1.01 -0.60 -2.15 120.40 120.69 1bvl s VAL 34 Ca 0.35 -1.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.00 1bvl s VAL 34 Cb -0.13 -2.00 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 1bvl s VAL 34 CO 0.22 0.26 0.41 0.20 0.00 0.00 0.00 175.10 176.19 1bvl s ASN 35 N 1.23 6.66 -0.22 3.32 0.01 -0.04 -1.27 114.94 124.62 1bvl s ASN 35 Ca -0.01 0.81 0.02 0.00 -0.71 0.00 0.00 52.86 52.96 1bvl s ASN 35 Cb -0.16 -2.19 0.05 0.00 0.41 0.00 0.00 41.25 39.36 1bvl s ASN 35 CO -0.09 0.18 -0.11 0.26 -1.51 0.00 0.00 177.10 175.83 1bvl s TRP 36 N -1.38 2.77 0.03 2.20 0.52 -0.03 -0.87 118.94 122.17 1bvl s TRP 36 Ca 0.33 -1.89 0.09 0.00 0.02 0.00 0.00 56.10 54.65 1bvl s TRP 36 Cb -0.14 -1.77 -0.03 0.00 -1.15 0.00 0.00 33.47 30.38 1bvl s TRP 36 CO 0.18 -0.81 -0.26 0.54 0.02 0.00 0.00 176.95 176.62 1bvl s VAL 37 N 1.28 2.10 0.38 4.03 0.11 -0.50 -0.28 120.40 127.52 1bvl s VAL 37 Ca -0.04 -1.31 0.04 0.00 -2.93 0.00 0.00 61.98 57.75 1bvl s VAL 37 Cb -0.18 -1.78 -0.06 0.00 -1.53 0.00 0.00 36.38 32.83 1bvl s VAL 37 CO -0.07 0.42 0.05 0.00 -3.33 0.00 0.00 175.10 172.17 1bvl s ARG 38 N -1.06 1.83 -0.31 1.54 1.70 -0.74 -0.12 118.95 121.79 1bvl s ARG 38 Ca 0.11 -2.05 0.01 0.00 -0.47 0.00 0.00 55.73 53.33 1bvl s ARG 38 Cb -0.10 -1.14 0.19 0.00 -0.57 0.00 0.00 34.95 33.33 1bvl s ARG 38 CO 0.01 -0.19 0.74 -1.14 -1.08 0.00 0.00 175.30 173.64 1bvl s GLN 39 N -3.82 0.47 0.23 3.89 0.74 -0.94 -0.26 119.66 119.97 1bvl s GLN 39 Ca 0.32 0.28 -0.32 0.00 0.05 0.00 0.00 55.36 55.69 1bvl s GLN 39 Cb 0.08 0.16 -0.12 0.00 1.10 0.00 0.00 33.01 34.23 1bvl s GLN 39 CO 0.15 -0.82 1.70 -0.35 -0.55 0.00 0.00 175.29 175.42 1bvl n PRO 40 N 5.07 2.76 -1.69 1.67 -0.04 -1.26 -3.40 135.00 138.11 1bvl n PRO 40 Ca 0.07 0.99 -0.61 0.00 -0.04 0.00 0.00 63.50 63.91 1bvl n PRO 40 Cb 0.56 -2.83 -0.08 0.00 -0.04 0.00 0.00 33.50 31.11 1bvl n PRO 40 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1bvl n PRO 41 N 3.54 0.55 0.00 0.54 -0.04 -1.26 -1.34 135.00 136.99 1bvl n PRO 41 Ca 0.14 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1bvl n PRO 41 Cb 0.35 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1bvl n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bvl n GLY 42 N 3.59 3.10 3.94 0.55 0.00 -1.26 -4.99 105.19 110.12 1bvl n GLY 42 Ca 0.27 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.02 1bvl n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bvl s ARG 43 N -0.35 3.46 1.08 1.61 0.52 -0.45 -5.10 118.95 119.72 1bvl s ARG 43 Ca 0.00 -0.52 -0.18 0.00 -0.52 0.00 0.00 55.73 54.51 1bvl s ARG 43 Cb 0.00 -2.94 0.25 0.00 0.52 0.00 0.00 34.95 32.78 1bvl s ARG 43 CO 0.00 0.50 1.25 0.20 0.02 0.00 0.00 175.30 177.27 1bvl s GLY 44 N -3.14 1.72 0.30 -3.53 0.00 -1.26 -4.43 107.32 96.97 1bvl s GLY 44 Ca 0.35 -1.18 -0.29 0.00 0.00 0.00 0.00 44.72 43.60 1bvl s GLY 44 CO 0.29 -0.33 1.49 1.08 0.00 0.00 0.00 173.10 175.63 1bvl s LEU 45 N -6.36 4.36 -0.02 0.66 1.02 -1.26 -4.40 118.68 112.68 1bvl s LEU 45 Ca 0.74 2.85 0.02 0.00 0.02 0.00 0.00 54.13 57.76 1bvl s LEU 45 Cb -0.05 -3.64 0.01 0.00 0.02 0.00 0.00 46.19 42.53 1bvl s LEU 45 CO 0.54 -0.80 -0.05 -1.83 0.02 0.00 0.00 176.35 174.23 1bvl s GLU 46 N -0.91 0.59 -0.41 1.70 -1.05 0.64 -4.99 118.70 114.28 1bvl s GLU 46 Ca 0.58 -0.16 -0.29 0.00 -0.15 0.00 0.00 54.97 54.96 1bvl s GLU 46 Cb -0.45 -0.60 0.02 0.00 -0.44 0.00 0.00 34.13 32.66 1bvl s GLU 46 CO 0.50 0.04 1.29 -0.46 0.95 0.00 0.00 175.26 177.58 1bvl s TRP 47 N 0.29 2.62 -0.06 4.83 -0.00 -1.26 -1.80 118.94 123.56 1bvl s TRP 47 Ca -0.03 0.75 -0.12 0.00 -0.00 0.00 0.00 56.10 56.69 1bvl s TRP 47 Cb -0.07 -4.25 -0.07 0.00 -0.00 0.00 0.00 33.47 29.07 1bvl s TRP 47 CO -0.00 -1.65 0.49 0.82 -0.00 0.00 0.00 176.95 176.60 1bvl h ILE 48 N 6.27 0.15 0.00 5.86 2.04 -1.00 -3.42 117.51 127.41 1bvl h ILE 48 Ca -0.25 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 64.79 1bvl h ILE 48 Cb 1.09 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1bvl h ILE 48 CO 1.09 0.04 0.00 0.61 0.00 0.00 0.00 178.15 179.89 1bvl n GLY 49 N 0.84 -0.68 3.64 5.37 0.00 -1.06 -0.64 105.19 112.66 1bvl n GLY 49 Ca -0.05 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 1bvl n GLY 49 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1bvl s MET 50 N -0.26 0.55 -0.04 1.61 0.23 -0.85 -0.85 119.30 119.69 1bvl s MET 50 Ca 0.00 0.70 0.02 0.00 -1.03 0.00 0.00 55.69 55.38 1bvl s MET 50 Cb 0.00 0.24 -0.03 0.00 -1.53 0.00 0.00 34.83 33.51 1bvl s MET 50 CO 0.00 -0.07 -0.07 -1.50 -2.03 0.00 0.00 175.02 171.35 1bvl s ILE 51 N 0.47 3.66 0.41 3.16 2.07 -0.39 -1.85 121.20 128.72 1bvl s ILE 51 Ca 0.00 -0.61 0.02 0.00 -1.41 0.00 0.00 60.65 58.66 1bvl s ILE 51 Cb -0.05 -2.53 -0.01 0.00 0.13 0.00 0.00 42.46 40.00 1bvl s ILE 51 CO -0.07 0.51 0.60 0.26 -1.91 0.00 0.00 174.94 174.33 1bvl s TRP 52 N -0.89 3.22 -1.42 3.50 0.52 -0.58 -1.55 118.94 121.74 1bvl s TRP 52 Ca 0.14 0.11 0.00 0.00 0.02 0.00 0.00 56.10 56.37 1bvl s TRP 52 Cb -0.11 -2.18 0.00 0.00 -1.15 0.00 0.00 33.47 30.03 1bvl s TRP 52 CO 0.04 -0.21 0.77 0.41 0.02 0.00 0.00 176.95 177.97 1bvl n GLY 53 N -1.92 -0.27 0.61 0.98 0.00 -1.21 -0.44 105.19 102.94 1bvl n GLY 53 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 1bvl n GLY 53 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bvl n ASP 54 N -1.27 2.32 0.00 1.61 5.75 -1.26 -4.38 116.55 119.32 1bvl n ASP 54 Ca 0.00 -1.65 0.00 0.00 -0.01 0.00 0.00 54.79 53.13 1bvl n ASP 54 Cb 0.01 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 1bvl n ASP 54 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bvl n GLY 55 N 0.82 2.55 3.74 6.12 0.00 0.42 -5.04 105.19 113.81 1bvl n GLY 55 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1bvl n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bvl s ASN 56 N -1.53 4.35 0.01 1.61 0.01 -1.26 -4.75 114.94 113.38 1bvl s ASN 56 Ca 0.00 2.06 -0.15 0.00 -0.71 0.00 0.00 52.86 54.06 1bvl s ASN 56 Cb 0.00 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 39.13 1bvl s ASN 56 CO 0.00 -2.14 0.33 0.42 -1.51 0.00 0.00 177.10 174.20 1bvl s THR 57 N -2.48 0.06 -0.27 1.60 -4.23 -1.26 -1.53 115.64 107.53 1bvl s THR 57 Ca 0.67 -0.53 -0.03 0.00 -1.18 0.00 0.00 61.69 60.62 1bvl s THR 57 Cb -0.22 -0.78 0.03 0.00 1.34 0.00 0.00 72.50 72.87 1bvl s THR 57 CO 0.49 -0.29 -0.02 -1.81 -0.54 0.00 0.00 174.62 172.45 1bvl s ASP 58 N -1.66 4.64 0.41 3.99 1.01 -0.77 -4.99 116.67 119.30 1bvl s ASP 58 Ca -0.10 -0.97 -0.00 0.00 0.71 0.00 0.00 52.55 52.19 1bvl s ASP 58 Cb -0.03 -1.72 -0.02 0.00 1.01 0.00 0.00 42.92 42.16 1bvl s ASP 58 CO 0.01 -0.18 0.63 -0.31 0.21 0.00 0.00 175.17 175.53 1bvl s TYR 59 N 1.33 3.37 -0.52 4.23 2.02 -1.26 -2.00 117.35 124.53 1bvl s TYR 59 Ca -0.01 0.34 -0.17 0.00 -0.37 0.00 0.00 57.07 56.86 1bvl s TYR 59 Cb -0.18 -2.13 0.09 0.00 -0.40 0.00 0.00 41.96 39.34 1bvl s TYR 59 CO -0.02 -0.15 0.53 1.21 -1.57 0.00 0.00 175.55 175.55 1bvl s ASN 60 N -4.13 6.18 0.03 2.29 2.47 0.19 -4.90 114.94 117.07 1bvl s ASN 60 Ca 0.45 -1.42 0.00 0.00 0.42 0.00 0.00 52.86 52.30 1bvl s ASN 60 Cb -0.10 -2.23 0.00 0.00 -1.45 0.00 0.00 41.25 37.47 1bvl s ASN 60 CO 0.38 -0.85 0.06 -1.54 -3.72 0.00 0.00 177.10 171.43 1bvl n SER 61 N 5.60 0.00 0.04 -4.21 3.41 -1.26 0.15 113.62 117.35 1bvl n SER 61 Ca -0.11 0.02 -0.22 0.00 -0.26 0.00 0.00 58.87 58.30 1bvl n SER 61 Cb 0.43 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.23 1bvl n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bvl h ALA 62 N 0.00 0.28 -0.02 7.33 0.00 -1.96 -3.37 119.26 121.53 1bvl h ALA 62 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.65 1bvl h ALA 62 Cb 0.11 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1bvl h ALA 62 CO 0.00 1.16 -0.11 1.28 0.00 0.00 0.00 179.25 181.57 1bvl n LEU 63 N -3.54 2.25 -0.38 0.00 4.77 0.39 -4.34 117.00 116.15 1bvl n LEU 63 Ca -0.28 -0.76 -0.02 0.00 -0.03 0.00 0.00 56.01 54.93 1bvl n LEU 63 Cb 1.06 -0.01 0.12 0.00 -2.33 0.00 0.00 43.42 42.26 1bvl n LEU 63 CO 0.48 0.38 1.29 0.07 -1.33 0.00 0.00 177.39 178.28 1bvl h LYS 64 N 3.36 1.30 -0.04 3.23 2.10 -1.62 0.52 116.57 125.41 1bvl h LYS 64 Ca 0.00 -0.08 0.01 0.00 -2.00 0.00 0.00 60.65 58.58 1bvl h LYS 64 Cb 0.78 -0.29 -0.00 0.00 -0.90 0.00 0.00 32.23 31.82 1bvl h LYS 64 CO 0.00 0.86 0.39 0.77 -2.00 0.00 0.00 179.45 179.47 1bvl h SER 65 N 1.34 0.00 0.00 7.07 0.02 -1.81 -3.28 113.55 116.88 1bvl h SER 65 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1bvl h SER 65 Cb -0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1bvl h SER 65 CO -0.09 0.00 0.00 -2.11 -1.14 0.00 0.00 176.83 173.49 1bvl n ARG 66 N -2.94 0.00 -2.53 3.45 1.85 -0.49 -5.05 116.66 110.95 1bvl n ARG 66 Ca -0.01 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.57 1bvl n ARG 66 Cb 0.44 -0.13 0.01 0.00 -1.05 0.00 0.00 32.46 31.73 1bvl n ARG 66 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1bvl s VAL 67 N 0.00 4.52 -0.28 8.89 0.11 0.17 -3.02 120.40 130.79 1bvl s VAL 67 Ca 0.00 0.17 -0.12 0.00 -2.93 0.00 0.00 61.98 59.09 1bvl s VAL 67 Cb 0.00 -3.74 0.10 0.00 -1.53 0.00 0.00 36.38 31.22 1bvl s VAL 67 CO 0.00 -0.75 0.64 0.28 -3.33 0.00 0.00 175.10 171.95 1bvl s THR 68 N -2.83 -0.54 -0.11 5.04 -1.32 0.08 -4.87 115.64 111.08 1bvl s THR 68 Ca 0.50 0.01 0.02 0.00 -1.21 0.00 0.00 61.69 61.01 1bvl s THR 68 Cb -0.10 -0.97 -0.01 0.00 -1.51 0.00 0.00 72.50 69.91 1bvl s THR 68 CO 0.45 0.01 -0.17 -0.04 -2.21 0.00 0.00 174.62 172.66 1bvl s MET 69 N 2.31 3.21 0.49 7.08 -1.94 -1.26 -0.87 119.30 128.32 1bvl s MET 69 Ca -0.08 -0.76 0.02 0.00 -1.71 0.00 0.00 55.69 53.17 1bvl s MET 69 Cb -0.09 -2.50 -0.02 0.00 2.01 0.00 0.00 34.83 34.23 1bvl s MET 69 CO -0.19 0.23 0.01 -0.51 -0.01 0.00 0.00 175.02 174.55 1bvl s LEU 70 N 0.29 2.34 -0.08 -0.03 1.43 0.16 -4.94 118.68 117.85 1bvl s LEU 70 Ca -0.13 -1.62 -0.09 0.00 -1.03 0.00 0.00 54.13 51.27 1bvl s LEU 70 Cb -0.16 -0.70 0.02 0.00 0.03 0.00 0.00 46.19 45.38 1bvl s LEU 70 CO 0.07 -0.81 0.24 -1.59 0.23 0.00 0.00 176.35 174.49 1bvl s LYS 71 N -3.84 0.31 -0.68 1.70 -2.85 -1.26 -0.73 119.74 112.38 1bvl s LYS 71 Ca 0.11 0.26 0.01 0.00 -1.00 0.00 0.00 55.97 55.35 1bvl s LYS 71 Cb 0.03 0.15 0.17 0.00 -2.06 0.00 0.00 37.83 36.11 1bvl s LYS 71 CO 0.06 -0.04 0.48 0.34 0.10 0.00 0.00 175.35 176.28 1bvl s ASP 72 N -0.03 5.07 0.32 0.03 -1.08 0.76 -4.92 116.67 116.81 1bvl s ASP 72 Ca -0.02 -3.33 0.11 0.00 -0.52 0.00 0.00 52.55 48.80 1bvl s ASP 72 Cb -0.02 -1.76 1.01 0.00 -1.46 0.00 0.00 42.92 40.68 1bvl s ASP 72 CO 0.01 -0.22 1.48 0.35 0.52 0.00 0.00 175.17 177.31 1bvl n THR 73 N 2.77 -0.40 1.31 1.71 -2.24 -1.26 -0.79 114.28 115.39 1bvl n THR 73 Ca 0.13 1.99 0.00 0.00 -2.27 0.00 0.00 64.05 63.90 1bvl n THR 73 Cb 0.35 -3.07 0.00 0.00 -2.10 0.00 0.00 70.33 65.51 1bvl n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1bvl n SER 74 N -5.26 0.46 -0.60 3.42 3.41 -1.26 -3.79 113.62 109.99 1bvl n SER 74 Ca 0.29 -1.77 -0.02 0.00 -0.26 0.00 0.00 58.87 57.12 1bvl n SER 74 Cb 0.98 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.68 1bvl n SER 74 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bvl n LYS 75 N -0.21 0.00 -2.63 4.33 5.02 0.03 -5.01 118.16 119.70 1bvl n LYS 75 Ca 0.00 -0.22 -0.12 0.00 -2.02 0.00 0.00 58.31 55.95 1bvl n LYS 75 Cb 0.11 0.11 -0.00 0.00 -0.02 0.00 0.00 35.03 35.23 1bvl n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1bvl n ASN 76 N 0.00 -3.36 -4.09 4.39 3.02 -1.20 -4.87 115.26 109.16 1bvl n ASN 76 Ca -0.06 0.14 -0.13 0.00 -0.03 0.00 0.00 54.58 54.49 1bvl n ASN 76 Cb 0.54 -2.86 -0.11 0.00 -0.61 0.00 0.00 39.78 36.73 1bvl n ASN 76 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bvl s GLN 77 N -5.21 0.60 0.04 3.52 -2.07 -1.23 0.41 119.66 115.73 1bvl s GLN 77 Ca 0.08 -0.87 0.09 0.00 -1.82 0.00 0.00 55.36 52.83 1bvl s GLN 77 Cb -0.04 -0.32 -0.03 0.00 -1.09 0.00 0.00 33.01 31.53 1bvl s GLN 77 CO 0.09 0.05 -0.25 -0.06 -1.32 0.00 0.00 175.29 173.81 1bvl s PHE 78 N -1.76 2.17 0.04 9.60 0.40 0.85 -0.17 117.98 129.12 1bvl s PHE 78 Ca -0.06 -0.40 0.07 0.00 -0.60 0.00 0.00 56.93 55.94 1bvl s PHE 78 Cb -0.07 -1.30 -0.03 0.00 0.51 0.00 0.00 43.02 42.12 1bvl s PHE 78 CO -0.00 0.11 -0.17 -1.12 0.70 0.00 0.00 175.22 174.74 1bvl s SER 79 N -1.21 3.91 -0.04 1.36 0.01 0.09 -0.59 113.70 117.24 1bvl s SER 79 Ca 0.10 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 56.98 1bvl s SER 79 Cb -0.10 -0.66 0.01 0.00 0.21 0.00 0.00 66.02 65.48 1bvl s SER 79 CO 0.02 0.25 -0.10 -0.22 0.41 0.00 0.00 173.24 173.60 1bvl s LEU 80 N -1.51 1.71 -0.11 2.44 1.98 -0.86 0.41 118.68 122.75 1bvl s LEU 80 Ca 0.15 -0.21 -0.02 0.00 -2.89 0.00 0.00 54.13 51.17 1bvl s LEU 80 Cb -0.11 -0.61 0.04 0.00 0.66 0.00 0.00 46.19 46.17 1bvl s LEU 80 CO 0.06 0.05 0.01 -0.60 -1.89 0.00 0.00 176.35 173.98 1bvl s ARG 81 N 0.35 0.67 0.16 1.98 3.52 -0.05 -1.31 118.95 124.27 1bvl s ARG 81 Ca -0.06 -0.05 0.04 0.00 -0.13 0.00 0.00 55.73 55.53 1bvl s ARG 81 Cb -0.11 -1.31 -0.04 0.00 -1.56 0.00 0.00 34.95 31.93 1bvl s ARG 81 CO 0.01 -0.39 0.21 -1.17 -0.81 0.00 0.00 175.30 173.15 1bvl s LEU 82 N 1.93 4.06 0.11 -0.88 2.96 -0.21 -0.74 118.68 125.91 1bvl s LEU 82 Ca 0.03 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 53.99 1bvl s LEU 82 Cb -0.14 -2.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.86 1bvl s LEU 82 CO -0.06 0.06 -0.08 -0.44 -1.32 0.00 0.00 176.35 174.50 1bvl s SER 83 N -3.18 1.36 -1.58 3.68 0.01 -1.17 -1.52 113.70 111.31 1bvl s SER 83 Ca 0.33 -0.96 -0.10 0.00 1.31 0.00 0.00 55.95 56.52 1bvl s SER 83 Cb -0.10 0.05 0.09 0.00 0.21 0.00 0.00 66.02 66.26 1bvl s SER 83 CO 0.26 -0.39 0.62 -1.20 0.41 0.00 0.00 173.24 172.94 1bvl n SER 84 N 0.07 -2.03 -4.54 2.44 7.64 -0.09 -4.83 113.62 112.28 1bvl n SER 84 Ca -0.13 -1.01 -0.39 0.00 1.01 0.00 0.00 58.87 58.36 1bvl n SER 84 Cb 0.60 -2.87 0.04 0.00 -1.01 0.00 0.00 64.21 60.97 1bvl n SER 84 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1bvl n VAL 85 N -4.42 2.81 -4.20 0.44 3.14 0.14 -4.51 118.33 111.74 1bvl n VAL 85 Ca -0.09 -0.50 -0.15 0.00 -2.96 0.00 0.00 64.34 60.63 1bvl n VAL 85 Cb 0.58 -0.91 -0.08 0.00 -1.06 0.00 0.00 33.84 32.37 1bvl n VAL 85 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1bvl s THR 86 N -1.57 0.00 0.01 1.55 -4.23 -1.26 -0.16 115.64 109.98 1bvl s THR 86 Ca 0.71 -1.89 0.24 0.00 -1.18 0.00 0.00 61.69 59.57 1bvl s THR 86 Cb -0.46 -2.50 0.24 0.00 1.34 0.00 0.00 72.50 71.12 1bvl s THR 86 CO 0.52 0.00 1.70 0.00 -0.54 0.00 0.00 174.62 176.30 1bvl h ALA 87 N 2.31 1.06 0.00 3.99 0.00 -1.97 -0.74 119.26 123.91 1bvl h ALA 87 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1bvl h ALA 87 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1bvl h ALA 87 CO 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.62 1bvl n ALA 88 N -1.78 2.10 0.71 0.00 0.00 -1.26 -2.90 120.51 117.38 1bvl n ALA 88 Ca -0.02 -0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.41 1bvl n ALA 88 Cb 0.11 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.24 1bvl n ALA 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bvl n ASP 89 N -1.30 1.86 -4.66 0.00 8.00 -0.28 -4.96 116.55 115.21 1bvl n ASP 89 Ca 0.10 -1.43 -0.42 0.00 0.71 0.00 0.00 54.79 53.74 1bvl n ASP 89 Cb 0.17 0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.58 1bvl n ASP 89 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1bvl s THR 90 N -1.76 3.70 -0.05 -3.53 -1.32 -1.14 -4.87 115.64 106.66 1bvl s THR 90 Ca 0.15 0.87 -0.30 0.00 -1.21 0.00 0.00 61.69 61.20 1bvl s THR 90 Cb 0.13 -3.56 0.10 0.00 -1.51 0.00 0.00 72.50 67.67 1bvl s THR 90 CO 0.35 -0.07 1.33 0.00 -2.21 0.00 0.00 174.62 174.02 1bvl s ALA 91 N 3.83 -2.55 -0.30 11.08 0.00 -0.06 -4.40 121.76 129.35 1bvl s ALA 91 Ca 0.70 0.22 -0.17 0.00 0.00 0.00 0.00 51.96 52.71 1bvl s ALA 91 Cb -0.31 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 1bvl s ALA 91 CO 0.27 -1.14 0.46 0.08 0.00 0.00 0.00 175.76 175.42 1bvl s VAL 92 N -2.05 5.09 -0.06 0.00 1.01 -1.22 -0.29 120.40 122.88 1bvl s VAL 92 Ca 0.28 0.53 -0.14 0.00 0.00 0.00 0.00 61.98 62.65 1bvl s VAL 92 Cb 0.01 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1bvl s VAL 92 CO -0.02 -0.01 0.36 -0.31 0.00 0.00 0.00 175.10 175.11 1bvl s TYR 93 N 2.25 3.64 -0.02 5.22 2.02 -0.14 -2.22 117.35 128.10 1bvl s TYR 93 Ca 0.18 0.85 0.04 0.00 -0.37 0.00 0.00 57.07 57.77 1bvl s TYR 93 Cb -0.16 -2.28 -0.01 0.00 -0.40 0.00 0.00 41.96 39.11 1bvl s TYR 93 CO 0.11 0.53 -0.15 0.71 -1.57 0.00 0.00 175.55 175.18 1bvl s TYR 94 N -0.60 1.37 0.02 2.71 2.02 0.83 -1.69 117.35 122.02 1bvl s TYR 94 Ca 0.21 -0.30 0.07 0.00 -0.37 0.00 0.00 57.07 56.68 1bvl s TYR 94 Cb -0.15 -0.90 -0.03 0.00 -0.40 0.00 0.00 41.96 40.47 1bvl s TYR 94 CO 0.10 -0.06 -0.18 0.00 -1.57 0.00 0.00 175.55 173.84 1bvl s ALA 96 N -0.88 -0.70 -0.17 0.00 0.00 -0.05 -1.22 121.76 118.73 1bvl s ALA 96 Ca 0.14 0.17 -0.21 0.00 0.00 0.00 0.00 51.96 52.07 1bvl s ALA 96 Cb -0.10 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1bvl s ALA 96 CO 0.04 -0.31 0.61 0.50 0.00 0.00 0.00 175.76 176.60 1bvl s ARG 97 N -1.76 4.25 -0.25 0.00 3.52 0.26 -0.87 118.95 124.10 1bvl s ARG 97 Ca -0.11 0.60 -0.19 0.00 -0.13 0.00 0.00 55.73 55.91 1bvl s ARG 97 Cb -0.04 -3.54 -0.02 0.00 -1.56 0.00 0.00 34.95 29.78 1bvl s ARG 97 CO 0.01 -0.15 0.56 -2.00 -0.81 0.00 0.00 175.30 172.92 1bvl s GLU 98 N 1.60 4.09 -0.31 5.12 2.12 -0.91 -1.06 118.70 129.34 1bvl s GLU 98 Ca 0.29 0.42 -0.02 0.00 0.36 0.00 0.00 54.97 56.02 1bvl s GLU 98 Cb -0.16 -3.65 0.11 0.00 0.26 0.00 0.00 34.13 30.69 1bvl s GLU 98 CO 0.11 -0.37 0.14 0.50 -0.54 0.00 0.00 175.26 175.10 1bvl s ARG 99 N 2.36 0.42 -0.24 4.30 3.52 0.32 -3.82 118.95 125.81 1bvl s ARG 99 Ca 0.23 -0.85 -0.00 0.00 -0.13 0.00 0.00 55.73 54.98 1bvl s ARG 99 Cb -0.16 -1.43 -0.01 0.00 -1.56 0.00 0.00 34.95 31.80 1bvl s ARG 99 CO 0.09 -1.05 0.20 -0.25 -0.81 0.00 0.00 175.30 173.48 1bvl n ASP 100 N 4.89 -2.34 -0.55 -2.12 8.00 -1.26 -3.72 116.55 119.45 1bvl n ASP 100 Ca -0.02 -0.13 -0.07 0.00 0.71 0.00 0.00 54.79 55.28 1bvl n ASP 100 Cb 0.41 -1.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.02 1bvl n ASP 100 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1bvl n TYR 101 N -1.72 0.00 -4.08 1.24 4.02 -1.26 -4.99 117.16 110.37 1bvl n TYR 101 Ca -0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.72 1bvl n TYR 101 Cb 0.53 -1.86 -0.11 0.00 -0.02 0.00 0.00 39.34 37.88 1bvl n TYR 101 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1bvl s ARG 102 N -2.26 0.58 -0.74 -0.72 3.00 -1.24 -5.07 118.95 112.48 1bvl s ARG 102 Ca 0.00 -0.84 -0.13 0.00 0.00 0.00 0.00 55.73 54.76 1bvl s ARG 102 Cb 0.00 -0.29 0.19 0.00 0.00 0.00 0.00 34.95 34.85 1bvl s ARG 102 CO 0.00 0.04 0.67 -0.51 0.00 0.00 0.00 175.30 175.50 1bvl s LEU 103 N -1.78 6.47 0.20 2.53 1.43 -1.26 0.12 118.68 126.39 1bvl s LEU 103 Ca -0.07 -2.51 0.04 0.00 -1.03 0.00 0.00 54.13 50.57 1bvl s LEU 103 Cb -0.08 -2.17 0.12 0.00 0.03 0.00 0.00 46.19 44.09 1bvl s LEU 103 CO -0.00 -0.61 1.46 -2.24 0.23 0.00 0.00 176.35 175.19 1bvl h ASP 104 N 7.94 0.21 -3.23 2.29 3.04 -1.40 -3.45 116.42 121.82 1bvl h ASP 104 Ca 0.01 -0.15 -0.54 0.00 -3.24 0.00 0.00 57.03 53.11 1bvl h ASP 104 Cb 1.04 -0.06 -0.36 0.00 -1.04 0.00 0.00 39.33 38.91 1bvl h ASP 104 CO 0.81 0.89 -0.81 -0.31 -2.04 0.00 0.00 179.24 177.77 1bvl s TYR 105 N -3.42 1.61 0.18 4.15 1.51 -1.23 -4.96 117.35 115.20 1bvl s TYR 105 Ca -0.03 -0.78 0.08 0.00 -1.01 0.00 0.00 57.07 55.33 1bvl s TYR 105 Cb 0.11 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.66 1bvl s TYR 105 CO 0.81 -0.48 -0.01 -1.58 -1.11 0.00 0.00 175.55 173.18 1bvl s TRP 106 N 1.39 2.82 0.76 2.71 0.52 -1.26 0.90 118.94 126.77 1bvl s TRP 106 Ca -0.00 -0.15 -0.03 0.00 0.02 0.00 0.00 56.10 55.94 1bvl s TRP 106 Cb -0.13 -1.35 0.14 0.00 -1.15 0.00 0.00 33.47 30.97 1bvl s TRP 106 CO -0.05 0.53 1.04 0.20 0.02 0.00 0.00 176.95 178.68 1bvl s GLY 107 N -3.01 1.76 -0.69 0.98 0.00 -0.36 -4.62 107.32 101.38 1bvl s GLY 107 Ca 0.28 -1.66 -0.06 0.00 0.00 0.00 0.00 44.72 43.27 1bvl s GLY 107 CO 0.18 -1.07 0.54 1.62 0.00 0.00 0.00 173.10 174.38 1bvl s GLN 108 N -5.25 2.89 0.48 2.90 0.74 -1.26 -4.82 119.66 115.34 1bvl s GLN 108 Ca 0.67 -2.53 -0.10 0.00 0.05 0.00 0.00 55.36 53.45 1bvl s GLN 108 Cb -0.05 -3.94 -0.08 0.00 1.10 0.00 0.00 33.01 30.04 1bvl s GLN 108 CO 0.46 -1.21 -0.54 0.41 -0.55 0.00 0.00 175.29 173.85 1bvl n GLY 109 N 3.60 -1.92 3.41 2.59 0.00 -1.25 -4.73 105.19 106.89 1bvl n GLY 109 Ca 0.10 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1bvl n GLY 109 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bvl s SER 110 N -0.48 4.07 0.30 1.61 1.04 -0.68 -4.84 113.70 114.73 1bvl s SER 110 Ca 0.18 -0.27 -0.29 0.00 0.48 0.00 0.00 55.95 56.05 1bvl s SER 110 Cb -0.03 -1.40 -0.10 0.00 0.10 0.00 0.00 66.02 64.60 1bvl s SER 110 CO 0.37 0.22 1.16 -0.22 0.98 0.00 0.00 173.24 175.75 1bvl s LEU 111 N 0.02 4.49 -0.08 2.42 1.98 -1.26 -0.96 118.68 125.29 1bvl s LEU 111 Ca -0.04 2.40 0.00 0.00 -2.89 0.00 0.00 54.13 53.60 1bvl s LEU 111 Cb -0.14 -3.66 0.02 0.00 0.66 0.00 0.00 46.19 43.07 1bvl s LEU 111 CO 0.04 -0.29 -0.06 -0.69 -1.89 0.00 0.00 176.35 173.46 1bvl s VAL 112 N -1.17 0.77 -0.20 1.68 1.01 0.60 -4.44 120.40 118.66 1bvl s VAL 112 Ca 0.46 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.27 1bvl s VAL 112 Cb -0.34 -0.80 0.02 0.00 0.00 0.00 0.00 36.38 35.26 1bvl s VAL 112 CO 0.44 0.31 -0.17 -0.89 0.00 0.00 0.00 175.10 174.78 1bvl s THR 113 N 1.38 2.18 0.06 3.92 2.01 0.61 -0.88 115.64 124.93 1bvl s THR 113 Ca -0.03 -1.01 -0.18 0.00 0.31 0.00 0.00 61.69 60.78 1bvl s THR 113 Cb -0.13 -1.98 -0.07 0.00 0.01 0.00 0.00 72.50 70.33 1bvl s THR 113 CO -0.03 0.44 0.54 0.68 -0.69 0.00 0.00 174.62 175.56 1bvl s VAL 114 N 1.28 4.80 0.00 3.82 -7.23 -1.25 -1.09 120.40 120.73 1bvl s VAL 114 Ca 0.03 1.13 0.00 0.00 -1.81 0.00 0.00 61.98 61.33 1bvl s VAL 114 Cb -0.14 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 32.94 1bvl s VAL 114 CO -0.11 0.54 0.00 -1.20 -0.31 0.00 0.00 175.10 174.02 1bvl n SER 115 N 1.68 0.00 0.00 4.85 7.64 -0.27 -4.66 113.62 122.85 1bvl n SER 115 Ca -0.11 0.00 0.16 0.00 1.01 0.00 0.00 58.87 59.93 1bvl n SER 115 Cb 0.51 0.00 0.92 0.00 -1.01 0.00 0.00 64.21 64.63 1bvl n SER 115 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83