#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 4.31 -0.26 -0.39 1.01 -1.26 -3.66 120.40 120.15 1bvl s VAL 2 Ca 0.00 1.64 -0.34 0.00 0.00 0.00 0.00 61.98 63.28 1bvl s VAL 2 Cb 0.00 -3.82 0.16 0.00 0.00 0.00 0.00 36.38 32.72 1bvl s VAL 2 CO 0.00 -0.06 1.31 0.00 0.00 0.00 0.00 175.10 176.35 1bvl s GLN 3 N -2.54 0.14 0.02 2.72 -2.07 -0.27 -4.96 119.66 112.70 1bvl s GLN 3 Ca 0.55 -0.02 0.02 0.00 -1.82 0.00 0.00 55.36 54.09 1bvl s GLN 3 Cb -0.14 0.06 -0.02 0.00 -1.09 0.00 0.00 33.01 31.83 1bvl s GLN 3 CO 0.19 -0.06 -0.07 -0.51 -1.32 0.00 0.00 175.29 173.52 1bvl s LEU 4 N -1.67 2.15 -0.10 2.60 1.02 -1.26 -2.02 118.68 119.40 1bvl s LEU 4 Ca 0.09 -0.36 -0.03 0.00 0.02 0.00 0.00 54.13 53.85 1bvl s LEU 4 Cb -0.01 -0.25 0.05 0.00 0.02 0.00 0.00 46.19 46.00 1bvl s LEU 4 CO -0.05 -0.07 0.14 -1.58 0.02 0.00 0.00 176.35 174.81 1bvl s GLN 5 N -0.96 0.03 0.24 1.70 0.74 -0.19 -4.14 119.66 117.08 1bvl s GLN 5 Ca -0.04 0.42 -0.17 0.00 0.05 0.00 0.00 55.36 55.61 1bvl s GLN 5 Cb -0.07 -0.59 -0.08 0.00 1.10 0.00 0.00 33.01 33.37 1bvl s GLN 5 CO 0.00 -0.39 0.70 -1.83 -0.55 0.00 0.00 175.29 173.23 1bvl s GLU 6 N 2.25 4.13 0.03 1.67 1.03 -1.26 -1.01 118.70 125.54 1bvl s GLU 6 Ca 0.04 0.75 -0.08 0.00 0.03 0.00 0.00 54.97 55.71 1bvl s GLU 6 Cb -0.13 -2.75 -0.00 0.00 -0.80 0.00 0.00 34.13 30.45 1bvl s GLU 6 CO -0.06 0.33 0.15 -1.12 -1.33 0.00 0.00 175.26 173.23 1bvl s SER 7 N -1.86 0.07 0.00 0.83 0.01 0.16 -4.79 113.70 108.11 1bvl s SER 7 Ca 0.46 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.36 1bvl s SER 7 Cb -0.14 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1bvl s SER 7 CO 0.20 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1bvl n GLY 8 N 0.97 -2.08 3.53 3.44 0.00 -1.26 0.20 105.19 110.00 1bvl n GLY 8 Ca -0.20 -1.32 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 1bvl n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bvl n PRO 9 N -0.60 0.07 -0.00 1.61 -0.04 -1.26 -4.93 135.00 129.85 1bvl n PRO 9 Ca 0.00 0.08 0.06 0.00 -0.04 0.00 0.00 63.50 63.60 1bvl n PRO 9 Cb 0.00 -2.06 -0.08 0.00 -0.04 0.00 0.00 33.50 31.32 1bvl n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bvl n GLY 10 N 1.19 -0.39 2.87 0.55 0.00 -1.26 -4.65 105.19 103.50 1bvl n GLY 10 Ca 0.10 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 1bvl n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bvl s LEU 11 N -3.39 1.59 0.04 0.99 1.02 -1.26 -1.78 118.68 115.89 1bvl s LEU 11 Ca -0.01 -0.04 0.03 0.00 0.02 0.00 0.00 54.13 54.13 1bvl s LEU 11 Cb 0.08 -0.18 -0.02 0.00 0.02 0.00 0.00 46.19 46.09 1bvl s LEU 11 CO 0.49 -0.03 -0.09 -0.69 0.02 0.00 0.00 176.35 176.05 1bvl s VAL 12 N 0.47 0.64 -0.12 -1.59 1.01 0.69 -4.90 120.40 116.60 1bvl s VAL 12 Ca -0.05 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 1bvl s VAL 12 Cb -0.07 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 1bvl s VAL 12 CO -0.01 -0.24 0.17 -0.13 0.00 0.00 0.00 175.10 174.89 1bvl s ARG 13 N -1.31 3.61 0.08 2.72 0.52 -1.26 -1.06 118.95 122.26 1bvl s ARG 13 Ca -0.06 -0.08 -0.35 0.00 -0.52 0.00 0.00 55.73 54.71 1bvl s ARG 13 Cb -0.08 -3.23 -0.18 0.00 0.52 0.00 0.00 34.95 31.97 1bvl s ARG 13 CO 0.01 0.69 0.95 -2.30 0.02 0.00 0.00 175.30 174.67 1bvl n PRO 14 N 2.22 0.23 0.00 3.54 -0.02 -1.26 -0.68 135.00 139.03 1bvl n PRO 14 Ca -0.19 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1bvl n PRO 14 Cb 0.54 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 1bvl n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1bvl n SER 15 N 1.76 0.00 -4.35 2.55 3.41 -0.21 -4.95 113.62 111.84 1bvl n SER 15 Ca 0.19 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.50 1bvl n SER 15 Cb 0.16 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.27 1bvl n SER 15 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1bvl s GLN 16 N -0.33 0.76 -0.43 4.33 -0.21 0.15 -3.60 119.66 120.32 1bvl s GLN 16 Ca 0.00 -0.16 -0.07 0.00 0.02 0.00 0.00 55.36 55.15 1bvl s GLN 16 Cb 0.00 -1.84 0.10 0.00 1.00 0.00 0.00 33.01 32.28 1bvl s GLN 16 CO 0.00 -2.37 0.26 -0.08 -2.12 0.00 0.00 175.29 170.97 1bvl s THR 17 N -3.63 3.84 0.32 -0.19 -1.32 -1.26 -0.21 115.64 113.18 1bvl s THR 17 Ca 0.70 -1.75 -0.29 0.00 -1.21 0.00 0.00 61.69 59.13 1bvl s THR 17 Cb -0.08 -3.49 -0.11 0.00 -1.51 0.00 0.00 72.50 67.31 1bvl s THR 17 CO 0.53 -0.64 1.58 -0.11 -2.21 0.00 0.00 174.62 173.77 1bvl n LEU 18 N 4.79 4.56 -3.44 9.08 0.00 -0.87 -4.91 117.00 126.21 1bvl n LEU 18 Ca -0.07 1.17 -0.15 0.00 0.00 0.00 0.00 56.01 56.96 1bvl n LEU 18 Cb 0.42 -1.61 -0.11 0.00 0.00 0.00 0.00 43.42 42.11 1bvl n LEU 18 CO 0.38 0.20 -0.16 -0.55 0.00 0.00 0.00 177.39 177.26 1bvl s SER 19 N 0.34 1.07 0.41 1.96 0.15 -1.26 -1.58 113.70 114.79 1bvl s SER 19 Ca 0.61 -0.15 0.05 0.00 0.70 0.00 0.00 55.95 57.16 1bvl s SER 19 Cb -0.48 0.62 -0.06 0.00 -1.71 0.00 0.00 66.02 64.38 1bvl s SER 19 CO 0.53 -0.33 0.02 -1.48 1.20 0.00 0.00 173.24 173.18 1bvl s LEU 20 N 2.40 2.59 0.11 3.45 2.34 -1.02 -4.35 118.68 124.19 1bvl s LEU 20 Ca 0.09 -1.44 0.03 0.00 0.06 0.00 0.00 54.13 52.86 1bvl s LEU 20 Cb -0.15 -0.73 -0.04 0.00 -0.56 0.00 0.00 46.19 44.71 1bvl s LEU 20 CO -0.15 -0.58 -0.08 -0.89 -1.06 0.00 0.00 176.35 173.59 1bvl s THR 21 N -2.88 0.83 -0.26 5.48 2.01 0.54 -1.70 115.64 119.66 1bvl s THR 21 Ca 0.29 -1.92 -0.03 0.00 0.31 0.00 0.00 61.69 60.33 1bvl s THR 21 Cb 0.08 -1.67 0.09 0.00 0.01 0.00 0.00 72.50 71.01 1bvl s THR 21 CO 0.15 -0.81 0.11 0.00 -0.69 0.00 0.00 174.62 173.38 1bvl s THR 23 N 1.99 4.79 0.43 0.00 2.01 -0.18 -2.38 115.64 122.31 1bvl s THR 23 Ca 0.07 1.89 0.04 0.00 0.31 0.00 0.00 61.69 64.00 1bvl s THR 23 Cb -0.16 -4.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.05 1bvl s THR 23 CO -0.27 -0.04 0.03 0.68 -0.69 0.00 0.00 174.62 174.32 1bvl s VAL 24 N 2.42 1.43 -0.26 3.82 -7.23 -0.56 -1.02 120.40 119.01 1bvl s VAL 24 Ca 0.43 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.31 1bvl s VAL 24 Cb -0.17 -2.61 0.18 0.00 0.56 0.00 0.00 36.38 34.34 1bvl s VAL 24 CO 0.12 0.00 1.28 -0.94 -0.31 0.00 0.00 175.10 175.25 1bvl s SER 25 N -3.72 -0.11 0.00 4.85 1.04 -0.85 -4.75 113.70 110.16 1bvl s SER 25 Ca 0.24 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.79 1bvl s SER 25 Cb 0.06 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1bvl s SER 25 CO 0.12 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.85 1bvl n GLY 26 N 0.56 2.20 3.53 7.32 0.00 -1.24 -1.12 105.19 116.45 1bvl n GLY 26 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.39 0.68 -0.21 1.61 -0.71 -1.26 -4.54 117.98 111.17 1bvl s PHE 27 Ca 0.00 -1.00 -0.15 0.00 -1.04 0.00 0.00 56.93 54.74 1bvl s PHE 27 Cb 0.00 0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 1bvl s PHE 27 CO 0.00 -1.05 0.35 0.45 -1.34 0.00 0.00 175.22 173.63 1bvl s SER 28 N -3.12 6.37 0.65 1.98 0.15 -1.26 -4.97 113.70 113.51 1bvl s SER 28 Ca 0.27 0.44 0.42 0.00 0.70 0.00 0.00 55.95 57.78 1bvl s SER 28 Cb -0.00 -2.21 2.33 0.00 -1.71 0.00 0.00 66.02 64.43 1bvl s SER 28 CO 0.14 -0.04 2.35 -0.07 1.20 0.00 0.00 173.24 176.81 1bvl h LEU 29 N 7.58 0.00 -0.24 3.45 -0.00 -1.96 0.18 115.31 124.32 1bvl h LEU 29 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.51 1bvl h LEU 29 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 1bvl h LEU 29 CO 0.71 0.00 -0.74 0.35 -0.00 0.00 0.00 178.44 178.76 1bvl n THR 30 N -3.20 0.00 -0.03 0.22 -2.24 -1.26 -4.24 114.28 103.53 1bvl n THR 30 Ca -0.03 -0.13 -0.14 0.00 -2.27 0.00 0.00 64.05 61.48 1bvl n THR 30 Cb 0.08 1.06 -0.14 0.00 -2.10 0.00 0.00 70.33 69.23 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 1.39 -0.78 3.03 3.38 0.00 -0.26 -4.49 105.19 107.46 1bvl n GLY 31 Ca 0.05 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.57 0.80 0.13 1.61 2.02 0.48 -4.84 117.35 114.99 1bvl s TYR 32 Ca -0.14 -0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.39 1bvl s TYR 32 Cb 0.07 -0.51 0.02 0.00 -0.40 0.00 0.00 41.96 41.15 1bvl s TYR 32 CO 0.79 -0.01 0.18 0.41 -1.57 0.00 0.00 175.55 175.35 1bvl n GLY 33 N 2.73 1.52 3.22 0.71 0.00 -1.26 -4.30 105.19 107.80 1bvl n GLY 33 Ca -0.14 -2.09 -0.16 0.00 0.00 0.00 0.00 46.02 43.63 1bvl n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bvl s VAL 34 N -0.01 1.16 -0.00 1.61 0.11 -0.11 -3.11 120.40 120.05 1bvl s VAL 34 Ca 0.13 -1.76 0.07 0.00 -2.93 0.00 0.00 61.98 57.49 1bvl s VAL 34 Cb -0.01 -1.53 -0.02 0.00 -1.53 0.00 0.00 36.38 33.29 1bvl s VAL 34 CO 0.09 -0.54 -0.22 0.20 -3.33 0.00 0.00 175.10 171.30 1bvl s ASN 35 N -2.60 2.64 -0.11 3.54 0.01 -0.18 -0.54 114.94 117.70 1bvl s ASN 35 Ca 0.09 -0.43 -0.01 0.00 -0.71 0.00 0.00 52.86 51.79 1bvl s ASN 35 Cb -0.03 -0.28 -0.03 0.00 0.41 0.00 0.00 41.25 41.33 1bvl s ASN 35 CO 0.02 0.26 -0.05 0.26 -1.51 0.00 0.00 177.10 176.07 1bvl s TRP 36 N -0.58 3.00 0.07 2.20 0.52 -0.69 0.18 118.94 123.64 1bvl s TRP 36 Ca 0.09 -0.11 0.01 0.00 0.02 0.00 0.00 56.10 56.11 1bvl s TRP 36 Cb -0.09 -1.83 -0.04 0.00 -1.15 0.00 0.00 33.47 30.37 1bvl s TRP 36 CO -0.00 0.18 -0.06 0.14 0.02 0.00 0.00 176.95 177.22 1bvl s VAL 37 N -0.28 0.53 0.15 4.03 -7.23 0.47 -1.39 120.40 116.68 1bvl s VAL 37 Ca 0.05 -1.62 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 1bvl s VAL 37 Cb -0.13 -1.27 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 1bvl s VAL 37 CO 0.02 -0.74 -0.04 0.00 -0.31 0.00 0.00 175.10 174.04 1bvl s ARG 38 N -3.09 1.02 -0.28 4.82 1.70 0.20 0.11 118.95 123.43 1bvl s ARG 38 Ca 0.03 -1.46 -0.01 0.00 -0.47 0.00 0.00 55.73 53.82 1bvl s ARG 38 Cb 0.01 -0.32 0.13 0.00 -0.57 0.00 0.00 34.95 34.20 1bvl s ARG 38 CO -0.04 -0.06 0.29 -1.14 -1.08 0.00 0.00 175.30 173.27 1bvl s GLN 39 N -3.86 0.31 0.29 3.89 0.74 -0.45 -0.21 119.66 120.37 1bvl s GLN 39 Ca 0.19 -0.06 -0.29 0.00 0.05 0.00 0.00 55.36 55.25 1bvl s GLN 39 Cb 0.05 -0.69 -0.14 0.00 1.10 0.00 0.00 33.01 33.33 1bvl s GLN 39 CO 0.01 -0.97 1.08 -2.30 -0.55 0.00 0.00 175.29 172.55 1bvl n PRO 40 N 5.32 1.47 -1.46 1.67 -0.02 -1.26 -2.31 135.00 138.41 1bvl n PRO 40 Ca -0.02 0.52 -0.56 0.00 -2.02 0.00 0.00 63.50 61.42 1bvl n PRO 40 Cb 0.47 -1.94 -0.09 0.00 -0.02 0.00 0.00 33.50 31.92 1bvl n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1bvl n PRO 41 N 0.83 0.74 -1.13 0.52 -0.04 -1.26 0.65 135.00 135.31 1bvl n PRO 41 Ca 0.09 0.22 -0.04 0.00 -0.04 0.00 0.00 63.50 63.73 1bvl n PRO 41 Cb 0.32 -2.07 -0.02 0.00 -0.04 0.00 0.00 33.50 31.69 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 6.22 0.70 0.14 0.55 0.00 -1.26 -4.96 105.19 106.57 1bvl n GLY 42 Ca 0.42 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.96 1bvl n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bvl n ARG 43 N -2.43 0.89 0.00 1.61 1.74 0.21 -5.14 116.66 113.55 1bvl n ARG 43 Ca -0.04 -1.08 0.00 0.00 -0.77 0.00 0.00 57.85 55.96 1bvl n ARG 43 Cb 0.20 -1.06 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 1bvl n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bvl n GLY 44 N -0.00 2.29 3.75 -0.13 0.00 -1.26 -4.83 105.19 105.02 1bvl n GLY 44 Ca 0.02 -1.86 -0.40 0.00 0.00 0.00 0.00 46.02 43.78 1bvl n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bvl s LEU 45 N 0.00 4.52 -0.08 0.99 1.02 -1.26 -4.03 118.68 119.84 1bvl s LEU 45 Ca 0.00 1.61 0.03 0.00 0.02 0.00 0.00 54.13 55.78 1bvl s LEU 45 Cb 0.00 -3.34 0.01 0.00 0.02 0.00 0.00 46.19 42.88 1bvl s LEU 45 CO 0.00 0.08 -0.16 -0.70 0.02 0.00 0.00 176.35 175.59 1bvl s GLU 46 N -0.49 2.16 -0.27 1.70 2.12 0.71 -4.99 118.70 119.63 1bvl s GLU 46 Ca 0.39 -0.57 -0.23 0.00 0.36 0.00 0.00 54.97 54.92 1bvl s GLU 46 Cb -0.22 -1.72 -0.01 0.00 0.26 0.00 0.00 34.13 32.45 1bvl s GLU 46 CO 0.26 0.07 0.76 -0.46 -0.54 0.00 0.00 175.26 175.35 1bvl s TRP 47 N 0.57 3.26 -0.03 5.30 -0.00 -1.26 -0.63 118.94 126.15 1bvl s TRP 47 Ca -0.16 0.91 -0.23 0.00 -0.00 0.00 0.00 56.10 56.62 1bvl s TRP 47 Cb -0.16 -3.07 -0.23 0.00 -0.00 0.00 0.00 33.47 30.01 1bvl s TRP 47 CO 0.05 -0.45 1.07 0.82 -0.00 0.00 0.00 176.95 178.44 1bvl h ILE 48 N 5.50 1.49 0.00 5.86 5.03 -1.57 -3.40 117.51 130.42 1bvl h ILE 48 Ca -0.25 -1.95 0.00 0.00 -0.12 0.00 0.00 64.86 62.55 1bvl h ILE 48 Cb 1.10 2.65 0.00 0.00 -3.03 0.00 0.00 36.82 37.54 1bvl h ILE 48 CO 0.85 0.55 0.00 0.61 -0.68 0.00 0.00 178.15 179.48 1bvl n GLY 49 N 1.00 -1.79 3.37 5.37 0.00 -1.23 0.26 105.19 112.16 1bvl n GLY 49 Ca -0.10 -1.29 -0.19 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.99 1.53 -0.16 1.61 0.23 0.55 -1.70 119.30 119.37 1bvl s MET 50 Ca 0.00 -1.85 -0.02 0.00 -1.03 0.00 0.00 55.69 52.79 1bvl s MET 50 Cb 0.00 -0.42 0.05 0.00 -1.53 0.00 0.00 34.83 32.93 1bvl s MET 50 CO 0.00 -0.30 0.01 -1.50 -2.03 0.00 0.00 175.02 171.21 1bvl s ILE 51 N -3.58 0.59 1.32 3.16 2.07 0.30 -1.54 121.20 123.52 1bvl s ILE 51 Ca 0.36 -0.41 -0.18 0.00 -1.41 0.00 0.00 60.65 59.01 1bvl s ILE 51 Cb 0.07 -0.96 0.33 0.00 0.13 0.00 0.00 42.46 42.03 1bvl s ILE 51 CO 0.15 -0.04 0.88 0.79 -1.91 0.00 0.00 174.94 174.81 1bvl n TRP 52 N 5.04 -2.49 -0.23 3.50 7.02 0.86 -0.94 117.44 130.21 1bvl n TRP 52 Ca -0.09 -0.45 -0.02 0.00 -1.02 0.00 0.00 57.50 55.92 1bvl n TRP 52 Cb 0.48 -1.52 0.17 0.00 -2.42 0.00 0.00 31.31 28.03 1bvl n TRP 52 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1bvl h GLY 53 N -3.13 1.10 -3.81 6.99 0.00 -1.85 -2.84 103.07 99.54 1bvl h GLY 53 Ca -0.52 -0.51 -0.37 0.00 0.00 0.00 0.00 47.33 45.92 1bvl h GLY 53 CO 0.37 0.49 0.39 2.09 0.00 0.00 0.00 176.54 179.88 1bvl n ASP 54 N -4.34 6.45 0.00 0.19 5.68 -1.26 -4.27 116.55 119.00 1bvl n ASP 54 Ca 0.07 -3.10 0.00 0.00 -0.50 0.00 0.00 54.79 51.27 1bvl n ASP 54 Cb 0.12 -1.12 0.00 0.00 -1.14 0.00 0.00 41.12 38.98 1bvl n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bvl n GLY 55 N 0.56 0.40 3.74 6.12 0.00 -1.07 -4.90 105.19 110.04 1bvl n GLY 55 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 1bvl n GLY 55 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bvl n ASN 56 N 0.02 3.75 -4.71 1.61 3.02 -1.26 -4.50 115.26 113.19 1bvl n ASN 56 Ca 0.00 1.15 -0.23 0.00 -0.03 0.00 0.00 54.58 55.47 1bvl n ASN 56 Cb 0.00 -1.58 -0.06 0.00 -0.61 0.00 0.00 39.78 37.53 1bvl n ASN 56 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1bvl s THR 57 N 0.01 3.31 -0.25 3.41 -4.23 -1.26 0.30 115.64 116.92 1bvl s THR 57 Ca 0.65 -1.76 -0.02 0.00 -1.18 0.00 0.00 61.69 59.38 1bvl s THR 57 Cb -0.51 -2.96 0.13 0.00 1.34 0.00 0.00 72.50 70.50 1bvl s THR 57 CO 0.48 -0.27 0.35 -1.81 -0.54 0.00 0.00 174.62 172.83 1bvl s ASP 58 N -3.78 0.69 0.10 3.99 1.01 -0.59 -4.94 116.67 113.16 1bvl s ASP 58 Ca 0.35 -0.13 0.05 0.00 0.71 0.00 0.00 52.55 53.52 1bvl s ASP 58 Cb -0.04 0.90 -0.04 0.00 1.01 0.00 0.00 42.92 44.75 1bvl s ASP 58 CO 0.22 -0.33 0.04 -0.31 0.21 0.00 0.00 175.17 175.00 1bvl s TYR 59 N 2.48 3.06 0.55 4.23 2.02 -1.26 -0.33 117.35 128.09 1bvl s TYR 59 Ca 0.11 -0.00 -0.21 0.00 -0.37 0.00 0.00 57.07 56.59 1bvl s TYR 59 Cb -0.15 -1.54 -0.05 0.00 -0.40 0.00 0.00 41.96 39.82 1bvl s TYR 59 CO -0.21 0.50 1.32 0.54 -1.57 0.00 0.00 175.55 176.13 1bvl s ASN 60 N -2.49 5.32 0.57 2.29 2.20 0.14 -4.52 114.94 118.44 1bvl s ASN 60 Ca 0.28 2.68 0.34 0.00 -0.94 0.00 0.00 52.86 55.22 1bvl s ASN 60 Cb -0.11 -2.63 1.41 0.00 -2.00 0.00 0.00 41.25 37.92 1bvl s ASN 60 CO 0.20 -1.53 1.70 0.28 -2.94 0.00 0.00 177.10 174.81 1bvl h SER 61 N 1.43 0.00 0.00 3.54 0.02 -1.96 0.33 113.55 116.92 1bvl h SER 61 Ca -0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1bvl h SER 61 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1bvl h SER 61 CO 0.57 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.26 1bvl n ALA 62 N -2.54 -0.00 -0.04 3.77 0.00 -1.26 -4.42 120.51 116.02 1bvl n ALA 62 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.52 1bvl n ALA 62 Cb 1.22 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.58 1bvl n ALA 62 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1bvl h LEU 63 N 0.00 -1.59 0.00 0.00 3.38 -1.89 -3.32 115.31 111.89 1bvl h LEU 63 Ca 0.00 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1bvl h LEU 63 Cb 0.00 0.63 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1bvl h LEU 63 CO 0.00 -0.42 0.00 1.17 0.09 0.00 0.00 178.44 179.28 1bvl n LYS 64 N -5.13 0.00 0.00 1.13 4.81 0.12 0.85 118.16 119.94 1bvl n LYS 64 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1bvl n LYS 64 Cb 0.33 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.38 1bvl n LYS 64 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1bvl n SER 65 N 0.00 0.00 0.00 3.14 3.41 -1.25 -3.52 113.62 115.40 1bvl n SER 65 Ca 0.00 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1bvl n SER 65 Cb 0.00 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1bvl n SER 65 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1bvl n ARG 66 N -1.27 0.00 -3.58 4.33 1.85 0.25 -5.02 116.66 113.22 1bvl n ARG 66 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.52 1bvl n ARG 66 Cb 0.01 -0.21 -0.05 0.00 -1.05 0.00 0.00 32.46 31.16 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 5.09 -0.17 8.89 0.11 -1.23 -0.34 120.40 132.75 1bvl s VAL 67 Ca 0.00 0.34 -0.05 0.00 -2.93 0.00 0.00 61.98 59.34 1bvl s VAL 67 Cb 0.00 -3.64 0.06 0.00 -1.53 0.00 0.00 36.38 31.28 1bvl s VAL 67 CO 0.00 0.16 0.10 -0.89 -3.33 0.00 0.00 175.10 171.14 1bvl s THR 68 N -1.54 -0.10 -0.03 5.04 2.01 0.14 -4.82 115.64 116.33 1bvl s THR 68 Ca 0.37 -0.16 -0.09 0.00 0.31 0.00 0.00 61.69 62.12 1bvl s THR 68 Cb -0.13 -0.58 -0.05 0.00 0.01 0.00 0.00 72.50 71.76 1bvl s THR 68 CO 0.20 -0.27 0.28 -0.04 -0.69 0.00 0.00 174.62 174.10 1bvl s MET 69 N 2.15 3.65 0.19 4.92 -1.94 -1.26 -0.88 119.30 126.13 1bvl s MET 69 Ca 0.02 0.07 -0.01 0.00 -1.71 0.00 0.00 55.69 54.07 1bvl s MET 69 Cb -0.16 -3.16 -0.04 0.00 2.01 0.00 0.00 34.83 33.48 1bvl s MET 69 CO -0.09 0.70 0.11 -0.51 -0.01 0.00 0.00 175.02 175.22 1bvl s LEU 70 N -1.30 1.36 -0.02 -0.03 1.43 -0.65 -4.97 118.68 114.51 1bvl s LEU 70 Ca 0.22 -1.35 0.00 0.00 -1.03 0.00 0.00 54.13 51.98 1bvl s LEU 70 Cb -0.14 0.31 0.02 0.00 0.03 0.00 0.00 46.19 46.41 1bvl s LEU 70 CO 0.11 -0.80 0.01 -0.75 0.23 0.00 0.00 176.35 175.16 1bvl s LYS 71 N -4.12 0.05 -0.25 1.70 2.20 -1.26 -2.23 119.74 115.84 1bvl s LYS 71 Ca 0.35 0.10 -0.14 0.00 -0.36 0.00 0.00 55.97 55.93 1bvl s LYS 71 Cb 0.07 -0.23 -0.15 0.00 -1.51 0.00 0.00 37.83 36.00 1bvl s LYS 71 CO 0.10 -0.11 -0.14 -3.47 -0.36 0.00 0.00 175.35 171.37 1bvl n ASP 72 N 3.83 1.94 0.00 1.43 -0.08 0.12 -4.93 116.55 118.87 1bvl n ASP 72 Ca -0.23 0.30 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 1bvl n ASP 72 Cb 0.53 -0.82 0.00 0.00 2.34 0.00 0.00 41.12 43.17 1bvl n ASP 72 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1bvl n THR 73 N -4.15 0.00 0.00 5.18 -2.24 -1.26 -4.74 114.28 107.08 1bvl n THR 73 Ca -0.46 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1bvl n THR 73 Cb 0.85 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 1bvl n THR 73 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1bvl n SER 74 N 0.00 0.00 -3.74 3.42 7.64 -1.26 -4.28 113.62 115.40 1bvl n SER 74 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1bvl n SER 74 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1bvl n SER 74 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1bvl n LYS 75 N 0.00 3.37 -0.39 1.43 4.76 -1.26 -4.77 118.16 121.31 1bvl n LYS 75 Ca 0.00 -3.04 0.00 0.00 -2.87 0.00 0.00 58.31 52.40 1bvl n LYS 75 Cb 0.00 -3.05 0.00 0.00 -1.84 0.00 0.00 35.03 30.14 1bvl n LYS 75 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1bvl n ASN 76 N 4.63 0.00 -3.59 4.39 4.13 -1.26 -4.81 115.26 118.74 1bvl n ASN 76 Ca 0.49 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.64 1bvl n ASN 76 Cb 0.36 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.54 1bvl n ASN 76 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bvl s GLN 77 N 0.00 0.66 0.09 3.52 -2.07 -1.26 -1.50 119.66 119.10 1bvl s GLN 77 Ca 0.00 0.39 0.04 0.00 -1.82 0.00 0.00 55.36 53.98 1bvl s GLN 77 Cb 0.00 0.31 -0.04 0.00 -1.09 0.00 0.00 33.01 32.19 1bvl s GLN 77 CO 0.00 -0.16 0.03 -0.06 -1.32 0.00 0.00 175.29 173.78 1bvl s PHE 78 N -0.53 3.05 0.04 9.60 0.40 -1.00 0.15 117.98 129.69 1bvl s PHE 78 Ca -0.01 0.00 0.07 0.00 -0.60 0.00 0.00 56.93 56.39 1bvl s PHE 78 Cb -0.02 -1.56 -0.02 0.00 0.51 0.00 0.00 43.02 41.92 1bvl s PHE 78 CO 0.00 0.50 -0.21 0.45 0.70 0.00 0.00 175.22 176.66 1bvl s SER 79 N -2.37 2.52 0.02 1.36 0.15 -0.95 0.07 113.70 114.51 1bvl s SER 79 Ca 0.27 -0.51 0.04 0.00 0.70 0.00 0.00 55.95 56.45 1bvl s SER 79 Cb -0.12 -0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 63.94 1bvl s SER 79 CO 0.20 0.18 -0.09 -0.22 1.20 0.00 0.00 173.24 174.50 1bvl s LEU 80 N -1.12 3.07 -0.27 3.45 0.20 -0.69 -1.64 118.68 121.69 1bvl s LEU 80 Ca 0.08 -0.22 -0.04 0.00 0.69 0.00 0.00 54.13 54.64 1bvl s LEU 80 Cb -0.09 -1.78 0.09 0.00 -0.43 0.00 0.00 46.19 43.99 1bvl s LEU 80 CO 0.02 0.27 0.11 -0.60 -0.29 0.00 0.00 176.35 175.85 1bvl s ARG 81 N -1.52 0.29 -0.45 1.98 3.52 -0.06 -2.44 118.95 120.27 1bvl s ARG 81 Ca 0.17 -0.54 -0.17 0.00 -0.13 0.00 0.00 55.73 55.05 1bvl s ARG 81 Cb -0.11 -1.47 0.04 0.00 -1.56 0.00 0.00 34.95 31.85 1bvl s ARG 81 CO 0.08 -0.93 0.48 -1.17 -0.81 0.00 0.00 175.30 172.94 1bvl s LEU 82 N 2.01 5.04 0.95 -0.88 2.96 -0.62 0.24 118.68 128.39 1bvl s LEU 82 Ca 0.07 -0.87 -0.15 0.00 -0.22 0.00 0.00 54.13 52.96 1bvl s LEU 82 Cb -0.16 -2.36 0.19 0.00 0.50 0.00 0.00 46.19 44.36 1bvl s LEU 82 CO -0.29 -0.68 1.31 -0.94 -1.32 0.00 0.00 176.35 174.44 1bvl s SER 83 N 2.20 3.20 -0.90 3.68 1.04 0.54 -2.05 113.70 121.41 1bvl s SER 83 Ca 0.11 0.27 -0.09 0.00 0.48 0.00 0.00 55.95 56.72 1bvl s SER 83 Cb -0.19 -0.34 0.09 0.00 0.10 0.00 0.00 66.02 65.68 1bvl s SER 83 CO 0.12 -2.68 0.22 -1.20 0.98 0.00 0.00 173.24 170.67 1bvl n SER 84 N -3.72 -0.52 -3.05 7.02 7.64 -1.13 -4.78 113.62 115.08 1bvl n SER 84 Ca 0.15 -0.63 -0.40 0.00 1.01 0.00 0.00 58.87 59.00 1bvl n SER 84 Cb 0.59 -0.80 -0.06 0.00 -1.01 0.00 0.00 64.21 62.94 1bvl n SER 84 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1bvl n VAL 85 N -2.43 0.00 -3.21 0.44 0.31 0.70 -4.27 118.33 109.87 1bvl n VAL 85 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1bvl n VAL 85 Cb 0.26 -0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 1bvl n VAL 85 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1bvl n THR 86 N 1.14 0.00 0.71 2.52 -1.04 -1.26 -1.04 114.28 115.31 1bvl n THR 86 Ca 0.14 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.28 1bvl n THR 86 Cb 0.05 -0.47 0.48 0.00 -1.82 0.00 0.00 70.33 68.57 1bvl n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bvl n ALA 87 N -3.00 2.14 1.27 2.41 0.00 -1.26 -3.19 120.51 118.88 1bvl n ALA 87 Ca 0.00 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.53 1bvl n ALA 87 Cb 0.00 -1.43 0.37 0.00 0.00 0.00 0.00 19.45 18.39 1bvl n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bvl n ALA 88 N -1.65 2.98 0.67 0.00 0.00 -1.26 -3.88 120.51 117.37 1bvl n ALA 88 Ca 0.05 -0.44 0.12 0.00 0.00 0.00 0.00 53.44 53.17 1bvl n ALA 88 Cb 0.34 -1.10 0.29 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.33 0.65 -4.64 0.00 8.00 -1.19 -4.82 116.55 114.21 1bvl n ASP 89 Ca 0.14 0.25 -0.42 0.00 0.71 0.00 0.00 54.79 55.46 1bvl n ASP 89 Cb 0.37 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.27 1bvl n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1bvl s THR 90 N -3.12 3.01 -0.17 -3.53 2.01 -1.25 -4.83 115.64 107.76 1bvl s THR 90 Ca 0.09 0.01 -0.35 0.00 0.31 0.00 0.00 61.69 61.74 1bvl s THR 90 Cb 0.14 -3.01 0.15 0.00 0.01 0.00 0.00 72.50 69.79 1bvl s THR 90 CO 0.67 -0.00 1.37 0.00 -0.69 0.00 0.00 174.62 175.96 1bvl s ALA 91 N 5.56 -2.30 0.09 7.40 0.00 -0.73 -4.45 121.76 127.34 1bvl s ALA 91 Ca 0.92 1.37 -0.30 0.00 0.00 0.00 0.00 51.96 53.95 1bvl s ALA 91 Cb -0.40 -0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.63 1bvl s ALA 91 CO 0.40 -0.80 0.98 0.08 0.00 0.00 0.00 175.76 176.42 1bvl s VAL 92 N -2.14 4.51 -0.18 0.00 1.01 -0.98 -2.48 120.40 120.14 1bvl s VAL 92 Ca 0.13 2.02 -0.03 0.00 0.00 0.00 0.00 61.98 64.10 1bvl s VAL 92 Cb 0.03 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 1bvl s VAL 92 CO -0.04 0.28 -0.06 -0.31 0.00 0.00 0.00 175.10 174.97 1bvl s TYR 93 N 0.19 2.95 0.15 5.22 1.51 0.25 -1.34 117.35 126.28 1bvl s TYR 93 Ca 0.48 -0.63 0.07 0.00 -1.01 0.00 0.00 57.07 55.98 1bvl s TYR 93 Cb -0.23 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 1bvl s TYR 93 CO 0.30 -0.29 -0.04 0.71 -1.11 0.00 0.00 175.55 175.12 1bvl s TYR 94 N 0.84 2.80 -0.09 2.71 2.02 0.29 -1.15 117.35 124.78 1bvl s TYR 94 Ca -0.02 -0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.57 1bvl s TYR 94 Cb -0.15 -1.39 0.00 0.00 -0.40 0.00 0.00 41.96 40.03 1bvl s TYR 94 CO 0.01 0.49 -0.20 0.00 -1.57 0.00 0.00 175.55 174.29 1bvl s ALA 96 N 0.45 0.22 0.05 0.00 0.00 0.13 -0.57 121.76 122.04 1bvl s ALA 96 Ca -0.17 0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.49 1bvl s ALA 96 Cb -0.17 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1bvl s ALA 96 CO 0.07 0.00 0.98 0.50 0.00 0.00 0.00 175.76 177.31 1bvl s ARG 97 N 0.34 4.62 -0.18 0.00 3.52 1.22 -1.01 118.95 127.46 1bvl s ARG 97 Ca -0.03 1.45 -0.08 0.00 -0.13 0.00 0.00 55.73 56.94 1bvl s ARG 97 Cb -0.05 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 1bvl s ARG 97 CO -0.01 0.06 0.09 -2.00 -0.81 0.00 0.00 175.30 172.63 1bvl s GLU 98 N 0.56 3.94 -0.11 5.12 2.12 -1.18 -0.25 118.70 128.90 1bvl s GLU 98 Ca 0.50 -0.28 -0.04 0.00 0.36 0.00 0.00 54.97 55.51 1bvl s GLU 98 Cb -0.22 -3.26 0.05 0.00 0.26 0.00 0.00 34.13 30.96 1bvl s GLU 98 CO 0.29 0.36 0.07 0.50 -0.54 0.00 0.00 175.26 175.94 1bvl s ARG 99 N 0.15 0.02 -1.12 4.30 3.00 0.19 -4.26 118.95 121.24 1bvl s ARG 99 Ca 0.06 0.11 -0.19 0.00 -1.00 0.00 0.00 55.73 54.71 1bvl s ARG 99 Cb -0.12 -1.26 -0.01 0.00 0.00 0.00 0.00 34.95 33.56 1bvl s ARG 99 CO -0.00 -0.52 0.80 -3.47 0.00 0.00 0.00 175.30 172.11 1bvl n ASP 100 N 5.28 -5.50 -3.63 -2.12 2.03 -1.26 -3.26 116.55 108.09 1bvl n ASP 100 Ca -0.05 -0.98 -0.23 0.00 0.52 0.00 0.00 54.79 54.05 1bvl n ASP 100 Cb 0.49 -3.53 0.06 0.00 -0.72 0.00 0.00 41.12 37.43 1bvl n ASP 100 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1bvl n TYR 101 N -4.04 -2.42 -3.63 -0.67 4.02 -1.26 -5.02 117.16 104.15 1bvl n TYR 101 Ca -0.09 0.95 -0.13 0.00 -0.01 0.00 0.00 57.90 58.61 1bvl n TYR 101 Cb 0.59 -4.75 -0.07 0.00 -0.02 0.00 0.00 39.34 35.09 1bvl n TYR 101 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 1bvl s ARG 102 N -6.04 0.79 -1.00 -0.72 1.70 -1.20 -5.08 118.95 107.40 1bvl s ARG 102 Ca 0.33 0.92 -0.17 0.00 -0.47 0.00 0.00 55.73 56.34 1bvl s ARG 102 Cb -0.15 0.39 0.14 0.00 -0.57 0.00 0.00 34.95 34.75 1bvl s ARG 102 CO 0.76 -0.10 1.20 -0.51 -1.08 0.00 0.00 175.30 175.58 1bvl s LEU 103 N 0.31 5.06 0.31 -1.89 1.43 -1.26 -0.63 118.68 122.00 1bvl s LEU 103 Ca 0.00 -2.28 0.19 0.00 -1.03 0.00 0.00 54.13 51.00 1bvl s LEU 103 Cb -0.05 -2.40 0.13 0.00 0.03 0.00 0.00 46.19 43.91 1bvl s LEU 103 CO 0.00 -0.98 1.41 -2.24 0.23 0.00 0.00 176.35 174.76 1bvl h ASP 104 N 8.41 0.00 -3.39 2.29 3.04 -0.96 -3.45 116.42 122.37 1bvl h ASP 104 Ca 0.20 0.00 -0.46 0.00 -3.24 0.00 0.00 57.03 53.53 1bvl h ASP 104 Cb 0.99 0.00 -0.35 0.00 -1.04 0.00 0.00 39.33 38.93 1bvl h ASP 104 CO 1.14 0.29 -0.79 -0.31 -2.04 0.00 0.00 179.24 177.53 1bvl s TYR 105 N -3.08 1.07 0.32 4.15 2.02 -1.03 -4.91 117.35 115.88 1bvl s TYR 105 Ca 0.04 -0.38 0.09 0.00 -0.37 0.00 0.00 57.07 56.45 1bvl s TYR 105 Cb 0.07 -0.88 -0.05 0.00 -0.40 0.00 0.00 41.96 40.70 1bvl s TYR 105 CO 0.73 -0.28 0.05 -1.58 -1.57 0.00 0.00 175.55 172.91 1bvl s TRP 106 N 1.04 2.65 0.72 2.71 0.52 -1.26 0.38 118.94 125.70 1bvl s TRP 106 Ca -0.08 -0.34 -0.04 0.00 0.02 0.00 0.00 56.10 55.65 1bvl s TRP 106 Cb -0.14 -1.45 0.10 0.00 -1.15 0.00 0.00 33.47 30.83 1bvl s TRP 106 CO -0.00 0.47 1.00 0.20 0.02 0.00 0.00 176.95 178.64 1bvl s GLY 107 N -3.75 1.76 0.36 0.98 0.00 0.27 -4.48 107.32 102.45 1bvl s GLY 107 Ca 0.35 -1.36 0.27 0.00 0.00 0.00 0.00 44.72 43.97 1bvl s GLY 107 CO 0.21 -0.87 1.81 -1.61 0.00 0.00 0.00 173.10 172.64 1bvl h GLN 108 N -0.59 0.00 0.00 2.90 4.15 -1.92 -3.46 115.11 116.20 1bvl h GLN 108 Ca -0.41 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.01 1bvl h GLN 108 Cb 1.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.97 1bvl h GLN 108 CO 0.48 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.79 1bvl n GLY 109 N -0.06 1.85 2.98 2.39 0.00 -1.26 -5.04 105.19 106.04 1bvl n GLY 109 Ca 0.01 -1.73 -0.26 0.00 0.00 0.00 0.00 46.02 44.05 1bvl n GLY 109 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bvl s SER 110 N -0.22 1.94 0.07 1.61 0.15 -0.30 -4.82 113.70 112.12 1bvl s SER 110 Ca 0.00 -0.30 -0.22 0.00 0.70 0.00 0.00 55.95 56.13 1bvl s SER 110 Cb 0.00 -0.84 -0.06 0.00 -1.71 0.00 0.00 66.02 63.41 1bvl s SER 110 CO 0.00 -0.03 0.65 -0.22 1.20 0.00 0.00 173.24 174.85 1bvl s LEU 111 N 1.08 4.50 -0.01 3.45 1.98 -1.26 0.86 118.68 129.28 1bvl s LEU 111 Ca -0.07 1.36 0.01 0.00 -2.89 0.00 0.00 54.13 52.53 1bvl s LEU 111 Cb -0.14 -3.05 0.00 0.00 0.66 0.00 0.00 46.19 43.66 1bvl s LEU 111 CO -0.01 0.18 -0.01 -0.69 -1.89 0.00 0.00 176.35 173.92 1bvl s VAL 112 N -0.72 0.16 -0.05 1.68 1.01 -1.04 -4.60 120.40 116.84 1bvl s VAL 112 Ca 0.33 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.22 1bvl s VAL 112 Cb -0.20 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 36.03 1bvl s VAL 112 CO 0.21 0.07 0.13 0.28 0.00 0.00 0.00 175.10 175.78 1bvl s THR 113 N 0.19 -0.00 0.01 3.92 -1.32 -0.74 -1.77 115.64 115.93 1bvl s THR 113 Ca -0.02 0.01 -0.15 0.00 -1.21 0.00 0.00 61.69 60.32 1bvl s THR 113 Cb -0.04 -0.19 -0.06 0.00 -1.51 0.00 0.00 72.50 70.71 1bvl s THR 113 CO -0.01 0.00 0.43 0.54 -2.21 0.00 0.00 174.62 173.38 1bvl s VAL 114 N 0.11 4.99 0.00 5.08 0.11 -1.26 -0.23 120.40 129.21 1bvl s VAL 114 Ca -0.00 0.89 0.00 0.00 -2.93 0.00 0.00 61.98 59.93 1bvl s VAL 114 Cb -0.01 -3.74 0.00 0.00 -1.53 0.00 0.00 36.38 31.10 1bvl s VAL 114 CO -0.00 0.58 0.00 -1.54 -3.33 0.00 0.00 175.10 170.81 1bvl n SER 115 N 1.81 0.00 0.00 3.54 3.41 -0.22 -4.90 113.62 117.26 1bvl n SER 115 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1bvl n SER 115 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1bvl n SER 115 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64