#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vee n SER 2 N 0.00 3.75 -3.67 1.61 7.64 -1.26 -4.97 113.62 116.72 1vee n SER 2 Ca 0.00 0.74 -0.29 0.00 1.01 0.00 0.00 58.87 60.33 1vee n SER 2 Cb 0.00 -1.49 -0.15 0.00 -1.01 0.00 0.00 64.21 61.56 1vee n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1vee s SER 3 N 5.35 3.72 0.07 6.43 0.01 -1.26 -5.08 113.70 122.94 1vee s SER 3 Ca 0.93 -1.41 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1vee s SER 3 Cb -0.48 -0.67 0.00 0.00 0.21 0.00 0.00 66.02 65.08 1vee s SER 3 CO 0.43 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 174.28 1vee n GLY 4 N 5.00 -2.47 1.77 3.44 0.00 -1.26 -4.46 105.19 107.21 1vee n GLY 4 Ca -0.04 -1.42 -0.07 0.00 0.00 0.00 0.00 46.02 44.49 1vee n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vee n SER 5 N -2.44 5.44 -4.81 1.61 3.41 -1.26 -4.94 113.62 110.64 1vee n SER 5 Ca -0.01 -2.52 -0.31 0.00 -0.26 0.00 0.00 58.87 55.77 1vee n SER 5 Cb 0.08 -1.24 0.07 0.00 -0.26 0.00 0.00 64.21 62.86 1vee n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1vee s SER 6 N 1.79 4.97 0.00 4.04 0.01 -1.26 -1.64 113.70 121.61 1vee s SER 6 Ca 0.31 1.56 0.00 0.00 1.31 0.00 0.00 55.95 59.13 1vee s SER 6 Cb 0.16 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 64.02 1vee s SER 6 CO -0.01 -1.70 0.00 0.61 0.41 0.00 0.00 173.24 172.55 1vee n GLY 7 N -1.89 -0.30 3.86 3.44 0.00 -0.87 -4.87 105.19 104.56 1vee n GLY 7 Ca 0.08 0.59 -0.07 0.00 0.00 0.00 0.00 46.02 46.61 1vee n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vee s SER 8 N 2.00 -0.26 0.14 1.61 0.01 -1.26 -3.57 113.70 112.36 1vee s SER 8 Ca 0.00 -0.61 -0.17 0.00 1.31 0.00 0.00 55.95 56.49 1vee s SER 8 Cb 0.00 0.73 -0.01 0.00 0.21 0.00 0.00 66.02 66.95 1vee s SER 8 CO 0.00 -1.35 1.76 0.00 0.41 0.00 0.00 173.24 174.06 1vee h ALA 9 N 2.00 0.47 -0.41 1.44 0.00 -1.56 -2.75 119.26 118.45 1vee h ALA 9 Ca -0.19 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.74 1vee h ALA 9 Cb 1.25 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 1vee h ALA 9 CO 0.23 -0.02 -0.21 0.87 0.00 0.00 0.00 179.25 180.12 1vee h LYS 10 N 0.48 -0.13 0.50 0.00 1.57 -1.87 -0.06 116.57 117.04 1vee h LYS 10 Ca 0.13 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1vee h LYS 10 Cb 0.03 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1vee h LYS 10 CO -0.02 -0.09 -0.51 -0.97 -0.57 0.00 0.00 179.45 177.29 1vee h ASN 11 N -0.14 -1.39 -0.93 0.86 -1.24 -1.94 -2.79 115.58 108.01 1vee h ASN 11 Ca 0.20 0.11 0.13 0.00 0.71 0.00 0.00 56.30 57.45 1vee h ASN 11 Cb 0.45 0.46 -0.09 0.00 0.73 0.00 0.00 38.32 39.87 1vee h ASN 11 CO -0.50 -0.67 0.55 0.00 -1.29 0.00 0.00 177.43 175.53 1vee h ALA 12 N -0.85 1.40 -0.31 1.57 0.00 -1.14 -1.65 119.26 118.28 1vee h ALA 12 Ca -0.06 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1vee h ALA 12 Cb 0.87 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1vee h ALA 12 CO -0.07 0.10 0.10 -0.92 0.00 0.00 0.00 179.25 178.46 1vee h TYR 13 N 0.84 0.18 -0.42 0.00 3.20 -0.76 0.12 116.97 120.13 1vee h TYR 13 Ca 0.48 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.25 1vee h TYR 13 Cb 0.54 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1vee h TYR 13 CO -0.04 0.07 -0.19 1.15 -1.64 0.00 0.00 178.16 177.52 1vee h THR 14 N 0.23 1.28 -0.16 1.81 2.02 -1.29 -3.01 112.91 113.79 1vee h THR 14 Ca 0.14 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 65.99 1vee h THR 14 Cb 0.12 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1vee h THR 14 CO -0.15 0.45 0.07 0.11 0.37 0.00 0.00 175.52 176.37 1vee h LYS 15 N 0.69 0.22 0.00 6.66 1.79 -0.63 0.20 116.57 125.51 1vee h LYS 15 Ca 0.10 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1vee h LYS 15 Cb 0.75 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 1vee h LYS 15 CO 0.06 0.18 0.00 -0.07 -1.08 0.00 0.00 179.45 178.54 1vee h LEU 16 N 0.22 0.00 0.00 2.94 3.38 -0.68 -2.68 115.31 118.49 1vee h LEU 16 Ca 0.06 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 1vee h LEU 16 Cb 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1vee h LEU 16 CO -0.01 0.00 -1.31 0.61 0.09 0.00 0.00 178.44 177.82 1vee n GLY 17 N 0.64 -0.79 0.17 0.83 0.00 -0.31 -4.24 105.19 101.49 1vee n GLY 17 Ca 0.03 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1vee n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vee h THR 18 N -1.00 0.00 -3.30 2.61 1.03 -1.09 -3.40 112.91 107.76 1vee h THR 18 Ca -0.32 -0.11 -0.68 0.00 -0.01 0.00 0.00 66.41 65.29 1vee h THR 18 Cb 1.18 0.74 -0.32 0.00 -1.07 0.00 0.00 68.15 68.68 1vee h THR 18 CO -0.20 0.00 -0.86 -0.62 -0.01 0.00 0.00 175.52 173.83 1vee s ASP 19 N -4.26 3.22 0.05 0.00 -1.08 -1.01 -5.04 116.67 108.56 1vee s ASP 19 Ca 0.00 -0.54 -0.15 0.00 -0.52 0.00 0.00 52.55 51.34 1vee s ASP 19 Cb 0.08 -1.45 -0.30 0.00 -1.46 0.00 0.00 42.92 39.79 1vee s ASP 19 CO 0.30 0.13 1.08 0.44 0.52 0.00 0.00 175.17 177.65 1vee h ASP 20 N 6.91 0.86 0.99 -0.34 3.32 -1.84 -3.30 116.42 123.02 1vee h ASP 20 Ca -0.24 -0.82 0.00 0.00 0.02 0.00 0.00 57.03 55.99 1vee h ASP 20 Cb 1.22 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1vee h ASP 20 CO 0.51 1.63 0.00 0.59 -1.72 0.00 0.00 179.24 180.25 1vee n ASN 21 N -3.76 0.63 -4.72 6.45 4.13 -1.26 -4.82 115.26 111.91 1vee n ASN 21 Ca -0.14 0.61 -0.42 0.00 1.68 0.00 0.00 54.58 56.31 1vee n ASN 21 Cb 1.02 -0.76 -0.03 0.00 -1.54 0.00 0.00 39.78 38.47 1vee n ASN 21 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vee s ALA 22 N -3.20 3.58 0.01 5.41 0.00 -1.24 -3.57 121.76 122.74 1vee s ALA 22 Ca 0.07 1.14 0.01 0.00 0.00 0.00 0.00 51.96 53.17 1vee s ALA 22 Cb 0.11 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 1vee s ALA 22 CO 0.46 -0.60 -0.02 -0.65 0.00 0.00 0.00 175.76 174.95 1vee s GLN 23 N 0.67 0.19 0.06 0.00 -1.52 -0.30 -4.93 119.66 113.83 1vee s GLN 23 Ca 0.62 -0.21 -0.30 0.00 -1.95 0.00 0.00 55.36 53.52 1vee s GLN 23 Cb -0.37 -0.09 -0.05 0.00 -0.22 0.00 0.00 33.01 32.28 1vee s GLN 23 CO 0.33 0.02 1.09 -1.17 -0.25 0.00 0.00 175.29 175.31 1vee s LEU 24 N -0.43 4.40 -0.51 2.90 1.98 -1.26 -1.48 118.68 124.28 1vee s LEU 24 Ca -0.03 1.89 -0.04 0.00 -2.89 0.00 0.00 54.13 53.06 1vee s LEU 24 Cb -0.03 -3.58 0.13 0.00 0.66 0.00 0.00 46.19 43.37 1vee s LEU 24 CO -0.00 -0.33 0.32 -0.22 -1.89 0.00 0.00 176.35 174.23 1vee s LEU 25 N 0.74 5.31 -0.44 -0.68 2.96 0.69 -1.13 118.68 126.13 1vee s LEU 25 Ca 0.54 -2.38 -0.29 0.00 -0.22 0.00 0.00 54.13 51.79 1vee s LEU 25 Cb -0.26 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 44.58 1vee s LEU 25 CO 0.30 -0.48 1.39 -1.81 -1.32 0.00 0.00 176.35 174.42 1vee s ASP 26 N 1.43 6.34 0.00 3.68 1.01 -1.23 -1.38 116.67 126.51 1vee s ASP 26 Ca 0.12 0.73 0.23 0.00 0.71 0.00 0.00 52.55 54.33 1vee s ASP 26 Cb -0.22 -2.54 0.20 0.00 1.01 0.00 0.00 42.92 41.37 1vee s ASP 26 CO -0.04 -1.45 1.24 2.30 0.21 0.00 0.00 175.17 177.43 1vee n ILE 27 N 7.04 0.04 -1.21 0.77 -5.35 -0.78 -1.37 119.36 118.50 1vee n ILE 27 Ca 0.16 -0.52 -0.30 0.00 -0.27 0.00 0.00 62.75 61.81 1vee n ILE 27 Cb 0.48 1.44 0.12 0.00 -1.74 0.00 0.00 39.64 39.94 1vee n ILE 27 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1vee s ARG 28 N -1.87 1.66 0.27 6.28 0.52 -1.24 -2.41 118.95 122.16 1vee s ARG 28 Ca 0.27 0.99 -0.30 0.00 -0.52 0.00 0.00 55.73 56.18 1vee s ARG 28 Cb 0.19 -1.84 -0.10 0.00 0.52 0.00 0.00 34.95 33.72 1vee s ARG 28 CO 0.29 -2.01 1.39 0.00 0.02 0.00 0.00 175.30 174.99 1vee s ALA 29 N -2.91 3.57 0.62 2.13 0.00 -1.26 -4.41 121.76 119.51 1vee s ALA 29 Ca 0.63 1.29 0.28 0.00 0.00 0.00 0.00 51.96 54.16 1vee s ALA 29 Cb -0.18 -3.53 1.49 0.00 0.00 0.00 0.00 23.12 20.91 1vee s ALA 29 CO 0.57 -0.70 1.88 1.15 0.00 0.00 0.00 175.76 178.65 1vee h THR 30 N 3.39 0.20 -0.49 0.00 2.02 -1.98 -0.25 112.91 115.79 1vee h THR 30 Ca -0.47 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 1vee h THR 30 Cb 1.22 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 1vee h THR 30 CO 0.73 0.00 0.20 0.00 0.37 0.00 0.00 175.52 176.82 1vee h ALA 31 N 1.36 1.42 -0.25 6.16 0.00 -2.01 -2.29 119.26 123.64 1vee h ALA 31 Ca 0.12 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1vee h ALA 31 Cb 0.99 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1vee h ALA 31 CO -0.00 0.44 -0.14 0.22 0.00 0.00 0.00 179.25 179.77 1vee h ASP 32 N 0.70 0.41 0.04 0.00 1.82 -1.40 -2.21 116.42 115.78 1vee h ASP 32 Ca 0.17 -0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1vee h ASP 32 Cb 0.14 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.04 1vee h ASP 32 CO -0.02 0.59 0.00 -0.26 -1.61 0.00 0.00 179.24 177.94 1vee h PHE 33 N 0.40 0.00 0.04 0.28 -1.00 -1.51 0.32 116.94 115.47 1vee h PHE 33 Ca 0.07 0.00 -0.37 0.00 2.81 0.00 0.00 57.97 60.49 1vee h PHE 33 Cb 0.49 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.00 1vee h PHE 33 CO 0.01 0.00 -2.21 0.54 -1.61 0.00 0.00 178.31 175.04 1vee n ARG 34 N -2.91 0.69 -0.07 1.51 1.74 -0.86 -3.32 116.66 113.44 1vee n ARG 34 Ca -0.03 0.18 -0.14 0.00 -0.77 0.00 0.00 57.85 57.09 1vee n ARG 34 Cb 0.07 -1.62 -0.12 0.00 -1.02 0.00 0.00 32.46 29.77 1vee n ARG 34 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1vee h GLN 35 N 0.02 0.00 0.00 5.56 1.08 -0.77 -3.43 115.11 117.58 1vee h GLN 35 Ca -0.49 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 56.66 1vee h GLN 35 Cb 2.01 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.43 1vee h GLN 35 CO 0.01 0.95 -1.46 1.55 -0.95 0.00 0.00 178.83 178.93 1vee n VAL 36 N -4.60 0.19 -0.97 -0.54 3.14 0.98 -4.80 118.33 111.72 1vee n VAL 36 Ca -0.12 -0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.01 1vee n VAL 36 Cb 0.48 -0.06 0.00 0.00 -1.06 0.00 0.00 33.84 33.20 1vee n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1vee n GLY 37 N 2.16 -1.47 3.11 7.55 0.00 -0.51 -4.26 105.19 111.78 1vee n GLY 37 Ca -0.06 -1.80 -0.08 0.00 0.00 0.00 0.00 46.02 44.08 1vee n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vee s SER 38 N -4.00 0.59 1.15 1.61 1.04 -0.99 -3.88 113.70 109.22 1vee s SER 38 Ca 0.00 -1.03 -0.18 0.00 0.48 0.00 0.00 55.95 55.22 1vee s SER 38 Cb 0.00 0.19 0.26 0.00 0.10 0.00 0.00 66.02 66.58 1vee s SER 38 CO 0.00 -0.60 1.12 -2.16 0.98 0.00 0.00 173.24 172.59 1vee s PRO 39 N -3.92 -0.84 -0.13 4.02 0.04 -1.26 -0.36 135.00 132.55 1vee s PRO 39 Ca 0.10 -0.01 -0.04 0.00 0.04 0.00 0.00 61.00 61.10 1vee s PRO 39 Cb 0.07 -1.64 0.06 0.00 0.04 0.00 0.00 34.50 33.04 1vee s PRO 39 CO -0.07 -3.47 0.12 0.54 0.04 0.00 0.00 177.00 174.16 1vee s ASN 40 N -3.90 1.60 0.00 6.66 2.20 -1.14 -4.37 114.94 115.99 1vee s ASN 40 Ca 0.70 -0.21 0.10 0.00 -0.94 0.00 0.00 52.86 52.51 1vee s ASN 40 Cb -0.11 -0.00 0.38 0.00 -2.00 0.00 0.00 41.25 39.52 1vee s ASN 40 CO 0.56 -0.30 1.28 2.30 -2.94 0.00 0.00 177.10 178.00 1vee n ILE 41 N 5.30 0.23 0.09 0.54 -5.35 -1.26 -4.16 119.36 114.76 1vee n ILE 41 Ca -0.05 -0.26 0.18 0.00 -0.27 0.00 0.00 62.75 62.35 1vee n ILE 41 Cb 0.49 0.13 0.73 0.00 -1.74 0.00 0.00 39.64 39.26 1vee n ILE 41 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1vee h LYS 42 N 1.23 0.00 -0.50 6.28 3.64 -1.93 -1.41 116.57 123.88 1vee h LYS 42 Ca 0.00 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1vee h LYS 42 Cb 0.28 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.01 1vee h LYS 42 CO 0.00 0.00 -0.02 0.78 -2.27 0.00 0.00 179.45 177.94 1vee h GLY 43 N 0.00 0.48 0.69 5.01 0.00 -1.92 -1.17 103.07 106.16 1vee h GLY 43 Ca 0.17 0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.53 1vee h GLY 43 CO -0.00 -0.15 -0.17 1.41 0.00 0.00 0.00 176.54 177.63 1vee h LEU 44 N 0.09 0.33 0.00 3.11 -0.00 -1.63 -3.48 115.31 113.74 1vee h LEU 44 Ca 0.25 -0.54 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 1vee h LEU 44 Cb 0.38 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.94 1vee h LEU 44 CO -0.43 0.80 0.00 0.61 -0.00 0.00 0.00 178.44 179.42 1vee n GLY 45 N 0.36 1.00 2.43 0.83 0.00 -0.44 -5.11 105.19 104.25 1vee n GLY 45 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 1vee n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vee n LYS 46 N 0.00 1.16 -3.65 1.61 4.76 -1.12 -4.95 118.16 115.97 1vee n LYS 46 Ca 0.00 -2.45 -0.21 0.00 -2.87 0.00 0.00 58.31 52.78 1vee n LYS 46 Cb 0.00 0.62 -0.17 0.00 -1.84 0.00 0.00 35.03 33.64 1vee n LYS 46 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1vee s LYS 47 N -3.24 -0.02 0.67 1.97 2.47 -1.26 -3.91 119.74 116.42 1vee s LYS 47 Ca 0.02 0.26 -0.17 0.00 -1.56 0.00 0.00 55.97 54.52 1vee s LYS 47 Cb -0.00 -0.89 0.00 0.00 -1.46 0.00 0.00 37.83 35.48 1vee s LYS 47 CO 0.01 -0.44 1.21 0.00 0.16 0.00 0.00 175.35 176.29 1vee s ALA 48 N 2.18 2.32 -0.67 3.13 0.00 -1.26 -4.74 121.76 122.73 1vee s ALA 48 Ca 0.04 0.94 -0.06 0.00 0.00 0.00 0.00 51.96 52.88 1vee s ALA 48 Cb -0.13 -3.46 0.17 0.00 0.00 0.00 0.00 23.12 19.70 1vee s ALA 48 CO -0.05 -1.55 0.52 0.08 0.00 0.00 0.00 175.76 174.75 1vee s VAL 49 N -1.80 4.24 -0.47 0.00 1.01 -0.29 -4.99 120.40 118.11 1vee s VAL 49 Ca 0.76 -2.74 -0.27 0.00 0.00 0.00 0.00 61.98 59.72 1vee s VAL 49 Cb -0.30 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 1vee s VAL 49 CO 0.40 -0.91 2.39 -1.20 0.00 0.00 0.00 175.10 175.79 1vee n SER 50 N 3.72 2.33 -3.46 3.32 7.64 -1.26 -3.53 113.62 122.38 1vee n SER 50 Ca 0.08 -0.28 -0.24 0.00 1.01 0.00 0.00 58.87 59.44 1vee n SER 50 Cb 0.40 -1.51 -0.12 0.00 -1.01 0.00 0.00 64.21 61.97 1vee n SER 50 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1vee s THR 51 N 11.04 -0.17 -0.01 0.44 2.01 -0.47 -4.98 115.64 123.49 1vee s THR 51 Ca 1.02 -0.85 -0.32 0.00 0.31 0.00 0.00 61.69 61.86 1vee s THR 51 Cb -0.32 -0.97 -0.10 0.00 0.01 0.00 0.00 72.50 71.12 1vee s THR 51 CO 0.31 -0.67 1.95 0.52 -0.69 0.00 0.00 174.62 176.03 1vee n VAL 52 N 4.97 0.70 -2.10 3.82 0.31 -1.26 -4.05 118.33 120.72 1vee n VAL 52 Ca -0.00 -0.13 -0.33 0.00 -0.01 0.00 0.00 64.34 63.87 1vee n VAL 52 Cb 0.43 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.20 1vee n VAL 52 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1vee s TYR 53 N 4.41 3.05 -0.25 3.52 5.04 -1.01 -4.97 117.35 127.14 1vee s TYR 53 Ca 0.91 1.51 -0.08 0.00 -2.44 0.00 0.00 57.07 56.97 1vee s TYR 53 Cb -0.53 -2.98 0.12 0.00 0.35 0.00 0.00 41.96 38.92 1vee s TYR 53 CO 0.46 -1.02 0.53 1.21 -1.34 0.00 0.00 175.55 175.39 1vee s ASN 54 N -2.80 -0.70 0.56 4.32 2.47 -1.26 -4.99 114.94 112.55 1vee s ASN 54 Ca 0.63 1.20 0.32 0.00 0.42 0.00 0.00 52.86 55.43 1vee s ASN 54 Cb -0.15 1.81 1.68 0.00 -1.45 0.00 0.00 41.25 43.14 1vee s ASN 54 CO 0.36 -0.23 2.14 1.23 -3.72 0.00 0.00 177.10 176.87 1vee h GLY 55 N 8.09 0.00 1.32 1.21 0.00 -1.98 -1.76 103.07 109.94 1vee h GLY 55 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1vee h GLY 55 CO 0.13 0.00 -0.08 1.18 0.00 0.00 0.00 176.54 177.77 1vee n GLU 56 N -3.43 0.45 -2.64 4.80 1.02 -1.26 -3.96 120.64 115.62 1vee n GLU 56 Ca -0.02 -0.09 -0.04 0.00 -0.02 0.00 0.00 57.16 56.99 1vee n GLU 56 Cb 0.20 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.17 1vee n GLU 56 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1vee n ASP 57 N -1.19 2.14 -0.25 1.62 2.03 -0.68 -4.99 116.55 115.23 1vee n ASP 57 Ca 0.13 -2.33 -0.11 0.00 0.52 0.00 0.00 54.79 52.99 1vee n ASP 57 Cb 0.27 -0.45 -0.09 0.00 -0.72 0.00 0.00 41.12 40.13 1vee n ASP 57 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1vee h LYS 58 N 2.47 -0.18 -0.36 -0.67 1.57 -1.65 0.20 116.57 117.95 1vee h LYS 58 Ca -0.05 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1vee h LYS 58 Cb 1.34 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 1vee h LYS 58 CO 0.28 -0.12 -0.07 -1.00 -0.57 0.00 0.00 179.45 177.97 1vee h PRO 59 N -0.19 0.68 -0.41 3.15 0.13 -1.94 -2.28 132.00 131.15 1vee h PRO 59 Ca 0.11 -0.25 0.05 0.00 -0.87 0.00 0.00 66.00 65.03 1vee h PRO 59 Cb 0.46 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 31.50 1vee h PRO 59 CO -0.70 0.83 0.14 0.78 -0.23 0.00 0.00 178.00 178.82 1vee h GLY 60 N 0.48 0.53 0.74 1.56 0.00 -1.87 -0.77 103.07 103.75 1vee h GLY 60 Ca 0.09 -0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.37 1vee h GLY 60 CO 0.03 0.01 -0.06 -2.75 0.00 0.00 0.00 176.54 173.77 1vee h PHE 61 N 0.29 -0.15 -0.99 5.60 3.57 -0.56 -1.94 116.94 122.76 1vee h PHE 61 Ca 0.19 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.81 1vee h PHE 61 Cb 0.19 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 38.93 1vee h PHE 61 CO -0.16 -0.10 0.63 -0.07 -2.23 0.00 0.00 178.31 176.38 1vee h LEU 62 N -0.07 0.93 -1.26 0.59 3.38 -0.75 -0.74 115.31 117.39 1vee h LEU 62 Ca 0.05 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1vee h LEU 62 Cb 0.15 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1vee h LEU 62 CO -0.12 0.52 0.50 0.11 0.09 0.00 0.00 178.44 179.55 1vee h LYS 63 N 1.01 0.97 -0.14 1.13 6.56 -0.37 -1.06 116.57 124.67 1vee h LYS 63 Ca 0.47 -0.06 0.04 0.00 -1.06 0.00 0.00 60.65 60.04 1vee h LYS 63 Cb 0.41 -0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 31.85 1vee h LYS 63 CO -0.23 0.64 0.21 0.87 -2.06 0.00 0.00 179.45 178.88 1vee h LYS 64 N 1.00 0.00 0.03 3.15 1.57 -0.92 -0.50 116.57 120.91 1vee h LYS 64 Ca 0.29 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.69 1vee h LYS 64 Cb -0.07 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 1vee h LYS 64 CO -0.07 0.00 -2.19 1.28 -0.57 0.00 0.00 179.45 177.90 1vee n LEU 65 N -3.59 2.47 -0.12 2.94 7.99 -0.66 -4.37 117.00 121.65 1vee n LEU 65 Ca 0.01 0.15 0.17 0.00 -0.01 0.00 0.00 56.01 56.33 1vee n LEU 65 Cb 0.31 -0.95 0.56 0.00 -0.11 0.00 0.00 43.42 43.24 1vee n LEU 65 CO 0.25 0.73 1.20 -1.28 -1.51 0.00 0.00 177.39 176.78 1vee h SER 66 N -0.39 0.28 0.26 -1.43 0.87 -0.48 0.01 113.55 112.67 1vee h SER 66 Ca -0.54 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 1vee h SER 66 Cb 1.77 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.69 1vee h SER 66 CO -0.15 0.14 0.00 0.00 -0.53 0.00 0.00 176.83 176.29 1vee n LEU 67 N -4.45 0.00 0.00 2.23 -0.00 -0.27 -4.01 117.00 110.51 1vee n LEU 67 Ca 0.13 0.15 0.00 0.00 -0.00 0.00 0.00 56.01 56.29 1vee n LEU 67 Cb 0.57 -0.15 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 1vee n LEU 67 CO 0.34 -0.02 -0.47 2.29 -0.00 0.00 0.00 177.39 179.54 1vee n LYS 68 N -1.15 0.00 -2.61 1.47 -0.00 -0.13 -4.99 118.16 110.76 1vee n LYS 68 Ca 0.17 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 58.05 1vee n LYS 68 Cb 0.16 -0.96 -0.02 0.00 -0.00 0.00 0.00 35.03 34.21 1vee n LYS 68 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1vee s PHE 69 N -1.94 2.91 -0.12 5.58 0.08 -0.52 -4.90 117.98 119.08 1vee s PHE 69 Ca 0.00 0.86 0.30 0.00 0.12 0.00 0.00 56.93 58.21 1vee s PHE 69 Cb 0.00 -4.21 1.16 0.00 -0.57 0.00 0.00 43.02 39.39 1vee s PHE 69 CO 0.00 -1.13 1.88 1.57 -0.10 0.00 0.00 175.22 177.44 1vee h LYS 70 N 8.90 0.00 -1.82 0.44 -0.00 -1.90 -3.37 116.57 118.82 1vee h LYS 70 Ca -0.22 0.00 -0.45 0.00 -0.00 0.00 0.00 60.65 59.98 1vee h LYS 70 Cb 1.06 0.00 -0.31 0.00 -0.00 0.00 0.00 32.23 32.98 1vee h LYS 70 CO 1.10 0.00 -0.84 -0.40 -0.00 0.00 0.00 179.45 179.31 1vee n ASP 71 N -2.87 -1.36 0.05 7.07 5.68 -1.26 -5.00 116.55 118.86 1vee n ASP 71 Ca 0.01 -2.61 0.07 0.00 -0.50 0.00 0.00 54.79 51.76 1vee n ASP 71 Cb 0.32 0.20 0.49 0.00 -1.14 0.00 0.00 41.12 40.99 1vee n ASP 71 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1vee h PRO 72 N 5.18 0.38 0.00 0.11 0.13 -1.87 -2.34 132.00 133.59 1vee h PRO 72 Ca 0.17 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1vee h PRO 72 Cb 0.97 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1vee h PRO 72 CO 0.28 0.25 0.10 0.93 -0.23 0.00 0.00 178.00 179.33 1vee h GLU 73 N 0.39 0.00 0.00 0.86 5.08 -1.85 -0.18 114.58 118.87 1vee h GLU 73 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1vee h GLU 73 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1vee h GLU 73 CO -0.03 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.07 1vee n ASN 74 N -2.82 0.51 -4.54 1.42 5.03 -0.91 -3.73 115.26 110.22 1vee n ASN 74 Ca -0.02 -0.76 -0.42 0.00 0.87 0.00 0.00 54.58 54.25 1vee n ASN 74 Cb 0.15 0.46 -0.08 0.00 -1.02 0.00 0.00 39.78 39.28 1vee n ASN 74 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1vee s THR 75 N -0.46 5.06 -0.08 3.41 2.01 -0.39 -4.67 115.64 120.52 1vee s THR 75 Ca 0.00 0.12 -0.23 0.00 0.31 0.00 0.00 61.69 61.89 1vee s THR 75 Cb 0.00 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 1vee s THR 75 CO 0.00 -0.24 0.70 -0.89 -0.69 0.00 0.00 174.62 173.50 1vee s THR 76 N 2.26 5.04 -0.56 -0.82 2.01 -1.23 -3.72 115.64 118.61 1vee s THR 76 Ca 0.16 1.43 -0.15 0.00 0.31 0.00 0.00 61.69 63.43 1vee s THR 76 Cb -0.16 -4.03 0.14 0.00 0.01 0.00 0.00 72.50 68.45 1vee s THR 76 CO 0.13 0.23 0.51 -0.76 -0.69 0.00 0.00 174.62 174.05 1vee s LEU 77 N 0.95 6.21 -0.74 4.42 2.01 -0.63 -1.15 118.68 129.76 1vee s LEU 77 Ca 0.37 -1.88 -0.24 0.00 0.01 0.00 0.00 54.13 52.39 1vee s LEU 77 Cb -0.17 -2.20 0.06 0.00 0.01 0.00 0.00 46.19 43.88 1vee s LEU 77 CO 0.17 -0.83 1.14 -0.31 1.01 0.00 0.00 176.35 177.53 1vee s TYR 78 N 1.46 2.53 0.74 0.29 1.51 -0.55 -2.36 117.35 120.97 1vee s TYR 78 Ca 0.04 -0.43 -0.13 0.00 -1.01 0.00 0.00 57.07 55.55 1vee s TYR 78 Cb -0.28 -4.46 0.04 0.00 -0.11 0.00 0.00 41.96 37.15 1vee s TYR 78 CO 0.02 -1.83 1.12 0.42 -1.11 0.00 0.00 175.55 174.16 1vee s ILE 79 N 4.71 3.05 -0.24 2.71 1.01 -0.80 -0.22 121.20 131.42 1vee s ILE 79 Ca 0.30 0.41 -0.03 0.00 0.00 0.00 0.00 60.65 61.32 1vee s ILE 79 Cb -0.11 -2.87 0.13 0.00 0.01 0.00 0.00 42.46 39.62 1vee s ILE 79 CO 0.09 -0.38 0.41 -0.22 0.00 0.00 0.00 174.94 174.85 1vee s LEU 80 N -5.53 -0.72 0.46 2.97 0.20 -0.48 -4.14 118.68 111.43 1vee s LEU 80 Ca 0.65 0.46 0.06 0.00 0.69 0.00 0.00 54.13 56.00 1vee s LEU 80 Cb -0.20 1.29 -0.02 0.00 -0.43 0.00 0.00 46.19 46.83 1vee s LEU 80 CO 0.50 -0.28 0.24 -0.62 -0.29 0.00 0.00 176.35 175.90 1vee s ASP 81 N 2.60 4.51 0.48 3.68 2.15 -1.26 -1.86 116.67 126.96 1vee s ASP 81 Ca 0.11 -1.16 0.13 0.00 0.43 0.00 0.00 52.55 52.06 1vee s ASP 81 Cb -0.15 -0.13 1.12 0.00 -0.30 0.00 0.00 42.92 43.47 1vee s ASP 81 CO -0.16 -0.74 2.10 0.07 -0.17 0.00 0.00 175.17 176.27 1vee h LYS 82 N 1.19 0.14 0.00 4.34 5.09 -1.93 -3.17 116.57 122.24 1vee h LYS 82 Ca -0.41 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.32 1vee h LYS 82 Cb 1.27 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 33.58 1vee h LYS 82 CO 0.66 0.12 0.00 1.19 -2.09 0.00 0.00 179.45 179.33 1vee n PHE 83 N -4.49 0.00 0.32 0.07 3.72 -1.26 -1.28 117.46 114.54 1vee n PHE 83 Ca -0.01 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.54 1vee n PHE 83 Cb 0.11 0.00 0.59 0.00 -0.94 0.00 0.00 39.48 39.24 1vee n PHE 83 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 1vee h ASP 84 N 0.00 0.00 0.00 4.37 2.03 -1.83 -3.15 116.42 117.84 1vee h ASP 84 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1vee h ASP 84 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1vee h ASP 84 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 1vee n GLY 85 N 0.14 0.00 0.00 7.15 0.00 -1.26 -2.35 105.19 108.87 1vee n GLY 85 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1vee n GLY 85 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vee n ASN 86 N 0.00 0.88 -0.31 1.61 3.02 -1.26 -4.91 115.26 114.29 1vee n ASN 86 Ca 0.00 -1.36 0.10 0.00 -0.03 0.00 0.00 54.58 53.29 1vee n ASN 86 Cb 0.00 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.39 1vee n ASN 86 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1vee h SER 87 N 0.00 -0.47 -0.69 6.41 0.02 -1.81 0.73 113.55 117.74 1vee h SER 87 Ca 0.00 0.25 0.05 0.00 -0.84 0.00 0.00 61.79 61.24 1vee h SER 87 Cb 0.58 0.44 -0.05 0.00 0.14 0.00 0.00 62.40 63.52 1vee h SER 87 CO 0.00 -0.27 0.40 -0.33 -1.14 0.00 0.00 176.83 175.49 1vee h GLU 88 N 0.05 0.74 -0.04 3.45 5.08 -1.91 0.60 114.58 122.56 1vee h GLU 88 Ca 0.51 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.81 1vee h GLU 88 Cb 0.96 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1vee h GLU 88 CO -0.83 0.49 -0.03 1.25 -1.00 0.00 0.00 179.01 178.89 1vee h LEU 89 N 0.76 0.10 -1.85 1.33 7.12 -1.31 -2.96 115.31 118.50 1vee h LEU 89 Ca 0.30 -0.47 0.03 0.00 0.13 0.00 0.00 57.88 57.86 1vee h LEU 89 Cb 0.12 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.21 1vee h LEU 89 CO -0.15 0.55 0.16 0.58 -0.13 0.00 0.00 178.44 179.44 1vee h VAL 90 N -0.35 0.99 -0.49 1.05 2.07 -0.79 -0.85 116.25 117.88 1vee h VAL 90 Ca 0.01 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 1vee h VAL 90 Cb 0.52 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1vee h VAL 90 CO 0.01 0.04 -0.04 0.00 0.02 0.00 0.00 177.57 177.59 1vee h ALA 91 N 1.87 0.67 -0.31 1.67 0.00 -0.80 -2.66 119.26 119.70 1vee h ALA 91 Ca 0.10 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1vee h ALA 91 Cb 0.14 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1vee h ALA 91 CO -0.02 0.51 -0.32 1.05 0.00 0.00 0.00 179.25 180.47 1vee h GLU 92 N 0.75 0.77 -0.08 0.00 4.11 -1.13 -2.78 114.58 116.22 1vee h GLU 92 Ca 0.13 -0.41 0.04 0.00 0.07 0.00 0.00 59.36 59.19 1vee h GLU 92 Cb 0.57 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 1vee h GLU 92 CO 0.03 1.04 -0.43 1.25 0.07 0.00 0.00 179.01 180.96 1vee h LEU 93 N 0.53 -1.35 -0.56 3.06 5.85 -1.05 0.16 115.31 121.95 1vee h LEU 93 Ca 0.05 0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.83 1vee h LEU 93 Cb 0.90 0.54 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 1vee h LEU 93 CO 0.08 -0.45 -0.08 -0.37 -0.34 0.00 0.00 178.44 177.29 1vee h VAL 94 N -0.54 1.27 -0.17 1.05 -1.51 -1.57 -1.86 116.25 112.92 1vee h VAL 94 Ca 0.06 -1.24 0.02 0.00 -1.23 0.00 0.00 66.70 64.32 1vee h VAL 94 Cb 0.65 0.91 -0.02 0.00 -2.13 0.00 0.00 31.29 30.70 1vee h VAL 94 CO -0.37 0.44 0.04 0.00 -1.23 0.00 0.00 177.57 176.45 1vee h ALA 95 N 0.95 0.18 -0.62 5.19 0.00 -1.12 -0.89 119.26 122.94 1vee h ALA 95 Ca 0.15 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1vee h ALA 95 Cb 0.64 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1vee h ALA 95 CO 0.04 -0.40 0.15 -0.07 0.00 0.00 0.00 179.25 178.97 1vee h LEU 96 N 0.11 0.91 -2.02 0.00 4.07 -0.65 -2.66 115.31 115.06 1vee h LEU 96 Ca 0.08 -0.18 -0.02 0.00 0.08 0.00 0.00 57.88 57.84 1vee h LEU 96 Cb 0.07 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 41.57 1vee h LEU 96 CO -0.10 0.89 -0.08 0.78 -1.08 0.00 0.00 178.44 178.84 1vee h ASN 97 N 0.93 0.00 0.00 -0.43 2.35 -0.77 -3.45 115.58 114.21 1vee h ASN 97 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1vee h ASN 97 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1vee h ASN 97 CO 0.00 0.08 0.00 0.61 -1.65 0.00 0.00 177.43 176.47 1vee n GLY 98 N -0.65 -0.27 3.82 2.83 0.00 -0.98 -5.09 105.19 104.84 1vee n GLY 98 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1vee n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vee s PHE 99 N -0.70 3.19 0.00 1.61 0.40 -0.39 -3.17 117.98 118.92 1vee s PHE 99 Ca 0.00 1.44 0.00 0.00 -0.60 0.00 0.00 56.93 57.77 1vee s PHE 99 Cb 0.00 -2.88 0.00 0.00 0.51 0.00 0.00 43.02 40.65 1vee s PHE 99 CO 0.00 -1.01 0.95 1.17 0.70 0.00 0.00 175.22 177.03 1vee n LYS 100 N -2.54 0.00 -3.54 0.44 3.00 -0.22 -4.43 118.16 110.87 1vee n LYS 100 Ca 0.08 0.70 -0.06 0.00 -0.00 0.00 0.00 58.31 59.03 1vee n LYS 100 Cb 0.53 -1.45 0.02 0.00 0.00 0.00 0.00 35.03 34.14 1vee n LYS 100 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1vee n SER 101 N -2.32 -1.85 -3.73 3.14 7.64 -1.26 -4.95 113.62 110.28 1vee n SER 101 Ca 0.00 -2.17 -0.10 0.00 1.01 0.00 0.00 58.87 57.62 1vee n SER 101 Cb 0.00 3.06 -0.04 0.00 -1.01 0.00 0.00 64.21 66.22 1vee n SER 101 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vee s ALA 102 N -1.95 -0.95 0.01 -0.43 0.00 -1.26 -1.60 121.76 115.57 1vee s ALA 102 Ca 0.17 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.93 1vee s ALA 102 Cb -0.04 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 1vee s ALA 102 CO 0.08 -0.81 -0.05 0.71 0.00 0.00 0.00 175.76 175.70 1vee s TYR 103 N -3.87 0.41 -0.35 0.00 1.51 -1.00 -4.71 117.35 109.34 1vee s TYR 103 Ca 0.09 -0.19 -0.08 0.00 -1.01 0.00 0.00 57.07 55.87 1vee s TYR 103 Cb -0.01 -0.26 0.03 0.00 -0.11 0.00 0.00 41.96 41.61 1vee s TYR 103 CO -0.03 -0.04 0.15 0.00 -1.11 0.00 0.00 175.55 174.52 1vee s ALA 104 N -0.47 3.15 -0.56 3.71 0.00 -0.65 -1.91 121.76 125.03 1vee s ALA 104 Ca -0.02 -1.72 -0.28 0.00 0.00 0.00 0.00 51.96 49.94 1vee s ALA 104 Cb -0.04 -2.41 0.03 0.00 0.00 0.00 0.00 23.12 20.70 1vee s ALA 104 CO -0.00 -1.34 1.25 0.42 0.00 0.00 0.00 175.76 176.09 1vee s ILE 105 N 1.47 3.97 0.41 0.00 1.09 -1.26 -2.04 121.20 124.85 1vee s ILE 105 Ca 0.00 0.88 -0.25 0.00 -1.10 0.00 0.00 60.65 60.18 1vee s ILE 105 Cb -0.19 -4.63 -0.08 0.00 -1.06 0.00 0.00 42.46 36.49 1vee s ILE 105 CO 0.04 -1.25 1.21 -0.75 -0.10 0.00 0.00 174.94 174.10 1vee s LYS 106 N 5.04 3.96 0.00 2.79 2.36 -1.23 -2.45 119.74 130.21 1vee s LYS 106 Ca 0.46 1.94 0.00 0.00 -2.55 0.00 0.00 55.97 55.82 1vee s LYS 106 Cb -0.08 -2.65 0.00 0.00 -1.05 0.00 0.00 37.83 34.04 1vee s LYS 106 CO 0.26 -0.43 0.00 -0.25 1.55 0.00 0.00 175.35 176.48 1vee n ASP 107 N -0.02 0.00 0.00 1.43 9.92 -1.26 -4.29 116.55 122.33 1vee n ASP 107 Ca 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 1vee n ASP 107 Cb 0.46 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.94 1vee n ASP 107 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vee n GLY 108 N -2.00 0.76 0.41 0.44 0.00 -1.02 -1.00 105.19 102.77 1vee n GLY 108 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1vee n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vee n ALA 109 N 7.90 2.35 0.08 4.61 0.00 -0.40 -1.67 120.51 133.38 1vee n ALA 109 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1vee n ALA 109 Cb 0.00 0.42 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 1vee n ALA 109 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1vee h GLU 110 N 0.00 0.00 -7.37 0.00 5.08 -1.41 -2.78 114.58 108.09 1vee h GLU 110 Ca 0.00 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.92 1vee h GLU 110 Cb 0.83 0.00 0.17 0.00 0.50 0.00 0.00 28.75 30.25 1vee h GLU 110 CO 0.00 0.87 0.18 0.20 -1.00 0.00 0.00 179.01 179.26 1vee s GLY 111 N -4.65 1.57 0.36 -3.84 0.00 -0.17 -4.83 107.32 95.75 1vee s GLY 111 Ca 0.02 -0.53 0.24 0.00 0.00 0.00 0.00 44.72 44.45 1vee s GLY 111 CO 0.80 0.16 1.74 -0.56 0.00 0.00 0.00 173.10 175.24 1vee h PRO 112 N -2.08 0.00 -0.09 2.90 0.13 -1.91 0.27 132.00 131.21 1vee h PRO 112 Ca -0.53 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1vee h PRO 112 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1vee h PRO 112 CO 0.52 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.83 1vee n ARG 113 N -2.35 1.53 -1.46 0.86 5.12 -1.26 -4.64 116.66 114.45 1vee n ARG 113 Ca -0.01 -1.34 -0.30 0.00 -1.93 0.00 0.00 57.85 54.27 1vee n ARG 113 Cb 0.05 -1.11 0.09 0.00 -1.16 0.00 0.00 32.46 30.33 1vee n ARG 113 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1vee s GLY 114 N -0.75 1.64 0.27 -0.13 0.00 0.08 -1.84 107.32 106.59 1vee s GLY 114 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 44.72 44.73 1vee s GLY 114 CO 0.07 0.34 1.65 -0.25 0.00 0.00 0.00 173.10 174.91 1vee h TRP 115 N -1.10 0.27 -0.56 1.90 2.91 -1.33 -1.08 115.95 116.96 1vee h TRP 115 Ca -0.46 0.05 -0.11 0.00 1.13 0.00 0.00 58.89 59.50 1vee h TRP 115 Cb 1.25 0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 29.90 1vee h TRP 115 CO 0.50 -0.18 -0.08 -0.07 -1.03 0.00 0.00 178.44 177.58 1vee h LEU 116 N 0.21 1.04 -2.24 0.65 3.38 -1.80 -2.74 115.31 113.81 1vee h LEU 116 Ca 0.50 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1vee h LEU 116 Cb 0.95 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1vee h LEU 116 CO -0.62 1.14 0.08 0.59 0.09 0.00 0.00 178.44 179.72 1vee n ASN 117 N -4.15 2.98 0.00 -0.43 3.02 -0.47 -3.81 115.26 112.40 1vee n ASN 117 Ca 0.02 -2.44 0.00 0.00 -0.03 0.00 0.00 54.58 52.12 1vee n ASN 117 Cb 0.39 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 1vee n ASN 117 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1vee n SER 118 N 0.12 1.61 -3.60 6.41 2.88 -0.86 -4.53 113.62 115.65 1vee n SER 118 Ca 0.15 -1.64 -0.20 0.00 -1.33 0.00 0.00 58.87 55.84 1vee n SER 118 Cb 0.73 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.25 1vee n SER 118 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1vee n SER 119 N -0.32 -2.19 -4.57 -3.46 2.88 -1.25 -4.81 113.62 99.91 1vee n SER 119 Ca 0.00 -0.71 -0.24 0.00 -1.33 0.00 0.00 58.87 56.59 1vee n SER 119 Cb 0.17 -4.56 -0.09 0.00 -0.75 0.00 0.00 64.21 58.98 1vee n SER 119 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1vee s LEU 120 N -6.64 2.90 0.34 2.46 1.43 -1.25 -5.13 118.68 112.78 1vee s LEU 120 Ca 0.09 -0.87 -0.25 0.00 -1.03 0.00 0.00 54.13 52.07 1vee s LEU 120 Cb -0.04 -1.39 -0.10 0.00 0.03 0.00 0.00 46.19 44.69 1vee s LEU 120 CO 0.77 -0.02 0.95 -2.16 0.23 0.00 0.00 176.35 176.12 1vee s PRO 121 N -3.61 4.53 -0.07 1.29 0.04 -1.26 -4.88 135.00 131.05 1vee s PRO 121 Ca 0.31 1.31 -0.04 0.00 0.04 0.00 0.00 61.00 62.63 1vee s PRO 121 Cb -0.05 -2.73 0.03 0.00 0.04 0.00 0.00 34.50 31.80 1vee s PRO 121 CO 0.18 0.23 0.16 -0.46 0.04 0.00 0.00 177.00 177.15 1vee s TRP 122 N -1.68 -0.18 -0.95 0.56 -0.11 -1.26 -2.87 118.94 112.45 1vee s TRP 122 Ca 0.52 0.50 -0.24 0.00 1.22 0.00 0.00 56.10 58.10 1vee s TRP 122 Cb -0.18 -0.04 0.01 0.00 -1.50 0.00 0.00 33.47 31.76 1vee s TRP 122 CO 0.23 -0.16 1.67 0.42 -4.62 0.00 0.00 176.95 174.50 1vee s ILE 123 N 0.95 3.70 0.25 5.86 1.01 0.51 -4.90 121.20 128.57 1vee s ILE 123 Ca -0.07 -0.54 -0.23 0.00 0.00 0.00 0.00 60.65 59.81 1vee s ILE 123 Cb -0.09 -4.57 -0.09 0.00 0.01 0.00 0.00 42.46 37.72 1vee s ILE 123 CO -0.05 -1.48 0.81 -1.61 0.00 0.00 0.00 174.94 172.61 1vee s GLU 124 N 5.94 4.41 0.11 2.79 2.02 -1.26 -2.34 118.70 130.36 1vee s GLU 124 Ca 0.57 1.07 -0.02 0.00 0.02 0.00 0.00 54.97 56.61 1vee s GLU 124 Cb -0.03 -2.90 0.03 0.00 0.10 0.00 0.00 34.13 31.32 1vee s GLU 124 CO -0.05 0.38 0.15 -0.35 0.02 0.00 0.00 175.26 175.41 1vee n PRO 125 N 0.78 -0.08 -1.87 0.39 -0.04 -1.26 -4.96 135.00 127.95 1vee n PRO 125 Ca -0.01 -0.25 -0.42 0.00 -0.04 0.00 0.00 63.50 62.78 1vee n PRO 125 Cb 0.50 -0.15 -0.03 0.00 -0.04 0.00 0.00 33.50 33.79 1vee n PRO 125 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1vee s LYS 126 N -3.27 4.17 0.64 0.54 2.20 -1.26 -4.99 119.74 117.78 1vee s LYS 126 Ca 0.09 2.38 -0.14 0.00 -0.36 0.00 0.00 55.97 57.93 1vee s LYS 126 Cb -0.00 -3.87 -0.01 0.00 -1.51 0.00 0.00 37.83 32.43 1vee s LYS 126 CO 0.06 -0.84 1.07 0.21 -0.36 0.00 0.00 175.35 175.49 1vee s LYS 127 N 3.59 3.06 -0.01 4.03 2.20 -1.26 -5.08 119.74 126.27 1vee s LYS 127 Ca 0.78 1.18 0.00 0.00 -0.36 0.00 0.00 55.97 57.58 1vee s LYS 127 Cb -0.39 -2.00 0.01 0.00 -1.51 0.00 0.00 37.83 33.94 1vee s LYS 127 CO 0.34 -1.02 0.00 0.99 -0.36 0.00 0.00 175.35 175.31 1vee s THR 128 N -2.59 0.03 -0.24 3.43 2.01 -1.26 -5.11 115.64 111.91 1vee s THR 128 Ca 0.63 0.04 -0.29 0.00 0.31 0.00 0.00 61.69 62.38 1vee s THR 128 Cb -0.16 -0.07 -0.02 0.00 0.01 0.00 0.00 72.50 72.25 1vee s THR 128 CO 0.43 0.04 1.64 -0.44 -0.69 0.00 0.00 174.62 175.59 1vee s SER 129 N 0.31 6.31 0.66 3.53 0.01 -1.26 -4.99 113.70 118.28 1vee s SER 129 Ca -0.03 1.56 -0.16 0.00 1.31 0.00 0.00 55.95 58.64 1vee s SER 129 Cb -0.04 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1vee s SER 129 CO -0.01 -1.32 1.15 -0.83 0.41 0.00 0.00 173.24 172.64 1vee s GLY 130 N 4.46 2.31 0.00 3.44 0.00 -1.26 -5.05 107.32 111.22 1vee s GLY 130 Ca 0.72 0.71 0.00 0.00 0.00 0.00 0.00 44.72 46.15 1vee s GLY 130 CO 0.30 1.08 0.00 -1.55 0.00 0.00 0.00 173.10 172.93 1vee n PRO 131 N -2.31 0.19 -0.75 2.90 -0.04 -1.26 -4.90 135.00 128.83 1vee n PRO 131 Ca 0.12 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.49 1vee n PRO 131 Cb 0.51 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.95 1vee n PRO 131 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1vee n SER 132 N -2.60 5.71 0.00 3.54 2.88 -1.26 -4.65 113.62 117.24 1vee n SER 132 Ca 0.00 -2.65 0.00 0.00 -1.33 0.00 0.00 58.87 54.89 1vee n SER 132 Cb 0.00 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.30 1vee n SER 132 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1vee n SER 133 N 1.30 -4.45 0.00 -3.46 7.64 -1.26 -5.38 113.62 108.01 1vee n SER 133 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1vee n SER 133 Cb 0.59 -2.50 0.00 0.00 -1.01 0.00 0.00 64.21 61.28 1vee n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64