#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 2.20 -4.27 1.61 3.41 -1.26 -5.01 113.62 110.30 1vee n SER 2 Ca 0.00 -1.60 -0.15 0.00 -0.26 0.00 0.00 58.87 56.87 1vee n SER 2 Cb 0.00 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 63.81 1vee n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1vee s SER 3 N -1.03 1.52 -0.46 4.04 0.15 -1.26 -4.93 113.70 111.74 1vee s SER 3 Ca 0.16 -1.16 -0.01 0.00 0.70 0.00 0.00 55.95 55.64 1vee s SER 3 Cb 0.11 0.06 -0.01 0.00 -1.71 0.00 0.00 66.02 64.46 1vee s SER 3 CO 0.16 -0.51 0.42 0.61 1.20 0.00 0.00 173.24 175.12 1vee n GLY 4 N -0.29 -0.59 2.56 9.45 0.00 -1.26 -4.84 105.19 110.22 1vee n GLY 4 Ca -0.07 0.17 -0.47 0.00 0.00 0.00 0.00 46.02 45.66 1vee n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vee n SER 5 N -1.78 0.76 -2.60 1.61 7.64 -1.26 -4.80 113.62 113.19 1vee n SER 5 Ca -0.01 0.74 -0.13 0.00 1.01 0.00 0.00 58.87 60.47 1vee n SER 5 Cb 0.52 -0.63 -0.04 0.00 -1.01 0.00 0.00 64.21 63.05 1vee n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1vee n SER 6 N 3.62 0.61 0.00 6.43 2.88 -1.26 -0.49 113.62 125.41 1vee n SER 6 Ca 0.27 -2.20 0.00 0.00 -1.33 0.00 0.00 58.87 55.62 1vee n SER 6 Cb -0.04 0.68 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1vee n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vee n GLY 7 N 0.29 -1.14 3.34 0.46 0.00 -1.10 -4.78 105.19 102.26 1vee n GLY 7 Ca -0.01 0.62 -0.13 0.00 0.00 0.00 0.00 46.02 46.50 1vee n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vee s SER 8 N -4.00 -0.32 0.24 1.61 1.04 -1.26 -4.15 113.70 106.86 1vee s SER 8 Ca 0.00 0.07 -0.05 0.00 0.48 0.00 0.00 55.95 56.45 1vee s SER 8 Cb 0.00 0.43 0.25 0.00 0.10 0.00 0.00 66.02 66.81 1vee s SER 8 CO 0.00 -0.65 1.78 0.00 0.98 0.00 0.00 173.24 175.35 1vee h ALA 9 N 3.05 1.09 -0.05 5.32 0.00 -1.83 -0.17 119.26 126.66 1vee h ALA 9 Ca -0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1vee h ALA 9 Cb 1.20 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1vee h ALA 9 CO 0.43 0.61 0.01 0.87 0.00 0.00 0.00 179.25 181.17 1vee h LYS 10 N 0.97 0.08 -0.38 0.00 1.57 -1.89 0.40 116.57 117.32 1vee h LYS 10 Ca 0.21 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 1vee h LYS 10 Cb 0.31 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1vee h LYS 10 CO -0.00 0.33 0.12 -0.97 -0.57 0.00 0.00 179.45 178.36 1vee h ASN 11 N -0.18 0.56 -0.90 0.86 -1.24 -1.94 -1.45 115.58 111.29 1vee h ASN 11 Ca 0.01 -0.20 0.03 0.00 0.71 0.00 0.00 56.30 56.85 1vee h ASN 11 Cb 0.29 -0.15 -0.05 0.00 0.73 0.00 0.00 38.32 39.14 1vee h ASN 11 CO 0.00 0.61 0.59 0.00 -1.29 0.00 0.00 177.43 177.34 1vee h ALA 12 N 0.97 1.18 -0.59 1.57 0.00 -0.94 0.75 119.26 122.20 1vee h ALA 12 Ca 0.12 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1vee h ALA 12 Cb 0.25 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1vee h ALA 12 CO -0.00 0.47 0.15 -0.92 0.00 0.00 0.00 179.25 178.95 1vee h TYR 13 N 1.16 0.98 -0.34 0.00 3.20 -0.65 0.36 116.97 121.68 1vee h TYR 13 Ca 0.35 -0.11 -0.00 0.00 3.14 0.00 0.00 58.73 62.11 1vee h TYR 13 Cb -0.03 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 37.94 1vee h TYR 13 CO -0.01 0.83 0.20 1.15 -1.64 0.00 0.00 178.16 178.69 1vee h THR 14 N 0.84 1.12 -0.16 1.81 2.02 -0.56 -2.50 112.91 115.48 1vee h THR 14 Ca 0.19 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1vee h THR 14 Cb 0.33 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1vee h THR 14 CO -0.00 0.12 0.10 0.11 0.37 0.00 0.00 175.52 176.22 1vee h LYS 15 N 0.43 0.21 -0.07 6.66 1.79 -0.44 -1.97 116.57 123.19 1vee h LYS 15 Ca 0.12 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.59 1vee h LYS 15 Cb 0.01 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1vee h LYS 15 CO -0.02 0.16 0.18 -0.07 -1.08 0.00 0.00 179.45 178.61 1vee h LEU 16 N 0.21 0.00 -0.41 2.94 3.38 -0.64 0.57 115.31 121.35 1vee h LEU 16 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1vee h LEU 16 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1vee h LEU 16 CO -0.01 0.00 -0.52 0.61 0.09 0.00 0.00 178.44 178.61 1vee n GLY 17 N -1.24 -0.67 0.00 0.83 0.00 -0.76 -4.29 105.19 99.06 1vee n GLY 17 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1vee n GLY 17 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1vee n THR 18 N -0.85 0.00 -3.66 2.61 5.66 -0.31 -4.92 114.28 112.81 1vee n THR 18 Ca 0.08 -0.34 -0.38 0.00 -3.05 0.00 0.00 64.05 60.36 1vee n THR 18 Cb 0.37 0.99 -0.09 0.00 -1.55 0.00 0.00 70.33 70.05 1vee n THR 18 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1vee s ASP 19 N -0.71 5.50 0.19 1.09 -1.08 0.19 -4.94 116.67 116.91 1vee s ASP 19 Ca 0.00 -2.40 0.14 0.00 -0.52 0.00 0.00 52.55 49.77 1vee s ASP 19 Cb 0.00 -1.92 0.71 0.00 -1.46 0.00 0.00 42.92 40.25 1vee s ASP 19 CO 0.00 -0.51 1.42 -0.67 0.52 0.00 0.00 175.17 175.92 1vee n ASP 20 N 4.16 0.34 -0.16 -0.34 2.03 -1.26 -1.09 116.55 120.23 1vee n ASP 20 Ca 0.02 0.65 0.07 0.00 0.52 0.00 0.00 54.79 56.05 1vee n ASP 20 Cb 0.40 -0.70 -0.04 0.00 -0.72 0.00 0.00 41.12 40.06 1vee n ASP 20 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1vee n ASN 21 N -1.95 1.10 -4.79 1.67 4.13 -1.26 -4.98 115.26 109.18 1vee n ASN 21 Ca -0.01 -1.05 -0.35 0.00 1.68 0.00 0.00 54.58 54.86 1vee n ASN 21 Cb 0.04 0.75 -0.03 0.00 -1.54 0.00 0.00 39.78 39.00 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 -2.11 2.91 0.02 5.41 0.00 -0.25 -2.16 121.76 125.57 1vee s ALA 22 Ca 0.09 0.67 -0.12 0.00 0.00 0.00 0.00 51.96 52.60 1vee s ALA 22 Cb 0.12 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.97 1vee s ALA 22 CO 0.50 -0.36 0.25 -0.65 0.00 0.00 0.00 175.76 175.50 1vee s GLN 23 N -3.04 0.68 0.18 0.00 -0.21 0.17 -4.86 119.66 112.59 1vee s GLN 23 Ca 0.65 -0.40 -0.04 0.00 0.02 0.00 0.00 55.36 55.59 1vee s GLN 23 Cb -0.19 0.29 -0.05 0.00 1.00 0.00 0.00 33.01 34.06 1vee s GLN 23 CO 0.23 -0.20 0.42 -1.17 -2.12 0.00 0.00 175.29 172.46 1vee s LEU 24 N -1.70 4.22 -0.28 2.90 2.96 -1.26 -0.90 118.68 124.62 1vee s LEU 24 Ca -0.10 0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 54.38 1vee s LEU 24 Cb -0.04 -3.36 0.10 0.00 0.50 0.00 0.00 46.19 43.40 1vee s LEU 24 CO 0.00 -0.02 0.13 -0.22 -1.32 0.00 0.00 176.35 174.92 1vee s LEU 25 N -2.93 0.51 -0.46 -0.68 2.96 0.33 -4.06 118.68 114.35 1vee s LEU 25 Ca 0.42 -1.21 -0.26 0.00 -0.22 0.00 0.00 54.13 52.86 1vee s LEU 25 Cb -0.12 -0.32 0.03 0.00 0.50 0.00 0.00 46.19 46.28 1vee s LEU 25 CO 0.26 -0.43 0.96 1.51 -1.32 0.00 0.00 176.35 177.33 1vee s ASP 26 N 2.11 6.53 0.00 3.68 -4.77 -1.25 -1.11 116.67 121.86 1vee s ASP 26 Ca 0.08 0.20 0.19 0.00 -3.30 0.00 0.00 52.55 49.72 1vee s ASP 26 Cb -0.16 -2.47 0.30 0.00 -1.09 0.00 0.00 42.92 39.50 1vee s ASP 26 CO -0.34 -1.08 1.24 2.30 0.70 0.00 0.00 175.17 178.00 1vee n ILE 27 N 6.48 0.38 -0.64 2.11 -5.35 -1.24 -0.67 119.36 120.44 1vee n ILE 27 Ca 0.07 -0.69 -0.29 0.00 -0.27 0.00 0.00 62.75 61.57 1vee n ILE 27 Cb 0.49 1.06 0.23 0.00 -1.74 0.00 0.00 39.64 39.68 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 -1.39 -0.41 0.30 6.28 0.52 -1.26 -2.30 118.95 120.69 1vee s ARG 28 Ca 0.30 0.96 -0.28 0.00 -0.52 0.00 0.00 55.73 56.18 1vee s ARG 28 Cb 0.18 -1.60 -0.09 0.00 0.52 0.00 0.00 34.95 33.95 1vee s ARG 28 CO 0.26 -3.41 1.07 0.00 0.02 0.00 0.00 175.30 173.23 1vee s ALA 29 N -2.54 3.34 0.46 2.13 0.00 -1.26 -4.19 121.76 119.69 1vee s ALA 29 Ca 0.68 0.83 0.28 0.00 0.00 0.00 0.00 51.96 53.74 1vee s ALA 29 Cb -0.24 -3.30 1.34 0.00 0.00 0.00 0.00 23.12 20.92 1vee s ALA 29 CO 0.63 -0.12 1.74 1.15 0.00 0.00 0.00 175.76 179.15 1vee h THR 30 N 2.94 0.38 -0.98 0.00 2.02 -2.00 -0.25 112.91 115.01 1vee h THR 30 Ca -0.47 -0.06 0.06 0.00 0.77 0.00 0.00 66.41 66.71 1vee h THR 30 Cb 1.21 0.17 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 1vee h THR 30 CO 0.66 0.03 0.64 0.00 0.37 0.00 0.00 175.52 177.22 1vee h ALA 31 N 1.52 1.43 -0.50 6.16 0.00 -2.00 -1.37 119.26 124.50 1vee h ALA 31 Ca 0.65 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.48 1vee h ALA 31 Cb 2.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 1vee h ALA 31 CO -0.22 0.43 0.10 -0.44 0.00 0.00 0.00 179.25 179.12 1vee h ASP 32 N 1.15 0.71 0.17 0.00 3.32 -1.40 -0.91 116.42 119.46 1vee h ASP 32 Ca 0.42 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1vee h ASP 32 Cb 0.16 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1vee h ASP 32 CO -0.16 0.72 0.00 0.49 -1.72 0.00 0.00 179.24 178.57 1vee n PHE 33 N -4.27 0.00 0.34 4.55 3.01 -0.52 -0.84 117.46 119.72 1vee n PHE 33 Ca 0.03 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.53 1vee n PHE 33 Cb 0.23 -0.30 -0.04 0.00 -0.01 0.00 0.00 39.48 39.36 1vee n PHE 33 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1vee n ARG 34 N -1.30 4.32 -0.03 -1.08 1.74 -0.37 -4.37 116.66 115.56 1vee n ARG 34 Ca 0.04 -0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.07 1vee n ARG 34 Cb 0.07 -0.87 -0.02 0.00 -1.02 0.00 0.00 32.46 30.61 1vee n ARG 34 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1vee n GLN 35 N -1.21 0.14 -0.00 5.56 6.02 -0.66 -4.87 117.38 122.36 1vee n GLN 35 Ca 0.01 0.04 0.06 0.00 -0.01 0.00 0.00 57.00 57.10 1vee n GLN 35 Cb 0.12 -0.97 -0.08 0.00 1.02 0.00 0.00 30.24 30.33 1vee n GLN 35 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1vee n VAL 36 N -2.89 0.00 -0.54 5.09 3.14 -0.02 -4.81 118.33 118.31 1vee n VAL 36 Ca -0.11 -0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 1vee n VAL 36 Cb 0.60 0.48 0.00 0.00 -1.06 0.00 0.00 33.84 33.86 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 1.67 -0.75 3.13 7.55 0.00 -1.04 -4.42 105.19 111.33 1vee n GLY 37 Ca -0.01 -1.80 -0.08 0.00 0.00 0.00 0.00 46.02 44.13 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 0.26 0.96 1.61 1.04 -0.75 -3.96 113.70 108.86 1vee s SER 38 Ca 0.00 -0.72 -0.14 0.00 0.48 0.00 0.00 55.95 55.57 1vee s SER 38 Cb 0.00 0.25 0.17 0.00 0.10 0.00 0.00 66.02 66.54 1vee s SER 38 CO 0.00 -0.61 1.16 -2.16 0.98 0.00 0.00 173.24 172.61 1vee s PRO 39 N -3.42 0.73 -0.00 4.02 0.04 -1.26 -0.22 135.00 134.89 1vee s PRO 39 Ca 0.02 0.15 -0.07 0.00 0.04 0.00 0.00 61.00 61.14 1vee s PRO 39 Cb 0.04 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1vee s PRO 39 CO -0.08 -2.45 0.13 1.21 0.04 0.00 0.00 177.00 175.85 1vee s ASN 40 N -4.12 0.02 0.00 6.66 2.47 -1.24 -4.51 114.94 114.22 1vee s ASN 40 Ca 0.66 -0.17 0.00 0.00 0.42 0.00 0.00 52.86 53.77 1vee s ASN 40 Cb -0.13 0.21 0.00 0.00 -1.45 0.00 0.00 41.25 39.89 1vee s ASN 40 CO 0.54 -0.34 0.75 2.30 -3.72 0.00 0.00 177.10 176.63 1vee n ILE 41 N 1.61 0.00 0.02 -5.21 -5.35 -1.26 -4.74 119.36 104.43 1vee n ILE 41 Ca -0.22 0.00 0.16 0.00 -0.27 0.00 0.00 62.75 62.42 1vee n ILE 41 Cb 0.56 0.69 0.63 0.00 -1.74 0.00 0.00 39.64 39.78 1vee n ILE 41 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1vee h LYS 42 N 0.00 0.11 0.00 6.28 1.79 -1.93 -0.33 116.57 122.49 1vee h LYS 42 Ca 0.00 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1vee h LYS 42 Cb 1.21 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1vee h LYS 42 CO 0.00 0.07 -0.08 0.78 -1.08 0.00 0.00 179.45 179.14 1vee h GLY 43 N 0.12 0.00 1.47 3.86 0.00 -1.91 -1.99 103.07 104.62 1vee h GLY 43 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1vee h GLY 43 CO -0.02 0.00 -0.46 1.41 0.00 0.00 0.00 176.54 177.47 1vee h LEU 44 N 0.00 0.00 -0.12 3.11 3.38 -1.43 -3.48 115.31 116.77 1vee h LEU 44 Ca -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1vee h LEU 44 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1vee h LEU 44 CO 0.01 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1vee n GLY 45 N 1.24 1.28 3.33 0.83 0.00 -0.75 -4.96 105.19 106.17 1vee n GLY 45 Ca 0.03 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 1vee n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vee s LYS 46 N -1.89 1.62 0.06 1.61 -0.14 -1.19 -5.03 119.74 114.77 1vee s LYS 46 Ca 0.00 -1.93 -0.02 0.00 -1.36 0.00 0.00 55.97 52.66 1vee s LYS 46 Cb 0.00 -0.05 -0.04 0.00 -1.68 0.00 0.00 37.83 36.06 1vee s LYS 46 CO 0.00 -0.48 -0.00 -1.59 -0.76 0.00 0.00 175.35 172.52 1vee s LYS 47 N -3.78 0.65 0.62 1.68 -2.85 -1.26 -2.99 119.74 111.81 1vee s LYS 47 Ca 0.36 -1.20 -0.08 0.00 -1.00 0.00 0.00 55.97 54.05 1vee s LYS 47 Cb 0.05 0.23 0.00 0.00 -2.06 0.00 0.00 37.83 36.04 1vee s LYS 47 CO 0.18 -0.13 0.97 0.00 0.10 0.00 0.00 175.35 176.48 1vee s ALA 48 N -3.92 3.14 -0.36 0.59 0.00 -1.26 -4.49 121.76 115.46 1vee s ALA 48 Ca 0.07 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.55 1vee s ALA 48 Cb 0.08 -2.80 0.15 0.00 0.00 0.00 0.00 23.12 20.54 1vee s ALA 48 CO -0.10 -0.87 0.23 0.08 0.00 0.00 0.00 175.76 175.10 1vee s VAL 49 N -3.12 0.19 -0.29 0.00 1.01 -1.26 -5.05 120.40 111.89 1vee s VAL 49 Ca 0.55 -1.89 -0.29 0.00 0.00 0.00 0.00 61.98 60.35 1vee s VAL 49 Cb -0.11 -1.15 -0.07 0.00 0.00 0.00 0.00 36.38 35.06 1vee s VAL 49 CO 0.48 -1.03 2.25 -1.54 0.00 0.00 0.00 175.10 175.26 1vee n SER 50 N 3.82 2.90 -3.54 3.32 3.41 -1.26 -3.90 113.62 118.37 1vee n SER 50 Ca 0.15 0.15 -0.29 0.00 -0.26 0.00 0.00 58.87 58.62 1vee n SER 50 Cb 0.39 -1.50 -0.12 0.00 -0.26 0.00 0.00 64.21 62.72 1vee n SER 50 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1vee s THR 51 N 8.65 0.57 -0.27 6.66 2.01 0.16 -5.02 115.64 128.39 1vee s THR 51 Ca 1.03 -2.04 -0.34 0.00 0.31 0.00 0.00 61.69 60.65 1vee s THR 51 Cb -0.42 -1.41 -0.10 0.00 0.01 0.00 0.00 72.50 70.58 1vee s THR 51 CO 0.37 -0.97 2.13 0.52 -0.69 0.00 0.00 174.62 175.98 1vee n VAL 52 N 3.81 0.29 -2.84 3.82 0.31 -1.26 -4.14 118.33 118.32 1vee n VAL 52 Ca 0.12 -0.27 -0.34 0.00 -0.01 0.00 0.00 64.34 63.84 1vee n VAL 52 Cb 0.37 -1.88 -0.07 0.00 -0.91 0.00 0.00 33.84 31.35 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 6.89 3.38 -0.14 3.52 5.04 -0.97 -5.00 117.35 130.06 1vee s TYR 53 Ca 1.04 1.60 -0.28 0.00 -2.44 0.00 0.00 57.07 57.00 1vee s TYR 53 Cb -0.72 -2.83 0.07 0.00 0.35 0.00 0.00 41.96 38.83 1vee s TYR 53 CO 0.47 -0.04 0.69 0.54 -1.34 0.00 0.00 175.55 175.87 1vee s ASN 54 N -2.10 -0.69 0.28 4.32 4.22 -1.26 -5.01 114.94 114.70 1vee s ASN 54 Ca 0.59 1.02 0.14 0.00 -2.14 0.00 0.00 52.86 52.48 1vee s ASN 54 Cb -0.11 0.93 0.23 0.00 1.28 0.00 0.00 41.25 43.59 1vee s ASN 54 CO 0.15 -0.45 1.52 1.23 -2.04 0.00 0.00 177.10 177.51 1vee h GLY 55 N 3.89 0.00 1.54 0.45 0.00 -1.99 -3.17 103.07 103.80 1vee h GLY 55 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1vee h GLY 55 CO 0.24 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.96 1vee n GLU 56 N -3.39 0.19 -1.56 4.80 -0.58 -1.26 -2.88 120.64 115.95 1vee n GLU 56 Ca 0.01 0.16 -0.01 0.00 -0.42 0.00 0.00 57.16 56.89 1vee n GLU 56 Cb 0.69 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 30.06 1vee n GLU 56 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1vee n ASP 57 N -1.27 0.07 -0.37 1.62 2.03 -1.22 -5.01 116.55 112.40 1vee n ASP 57 Ca 0.06 -2.02 -0.05 0.00 0.52 0.00 0.00 54.79 53.29 1vee n ASP 57 Cb 0.10 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.47 1vee n ASP 57 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1vee n LYS 58 N 0.01 -0.31 -0.04 -0.67 5.02 -1.14 -0.30 118.16 120.73 1vee n LYS 58 Ca -0.09 1.40 -0.11 0.00 -2.02 0.00 0.00 58.31 57.49 1vee n LYS 58 Cb 0.92 -2.06 -0.05 0.00 -0.02 0.00 0.00 35.03 33.82 1vee n LYS 58 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1vee h PRO 59 N 0.00 0.23 -0.19 1.97 0.13 -1.92 -0.93 132.00 131.29 1vee h PRO 59 Ca 0.23 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 65.37 1vee h PRO 59 Cb 0.46 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.51 1vee h PRO 59 CO -0.89 0.25 -0.06 0.78 -0.23 0.00 0.00 178.00 177.86 1vee h GLY 60 N 0.15 0.12 0.54 1.56 0.00 -1.59 -0.33 103.07 103.53 1vee h GLY 60 Ca 0.06 0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.48 1vee h GLY 60 CO -0.01 -0.08 -0.24 -2.75 0.00 0.00 0.00 176.54 173.46 1vee h PHE 61 N -0.02 -0.64 -0.46 5.60 3.57 -0.54 -2.62 116.94 121.83 1vee h PHE 61 Ca 0.09 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.69 1vee h PHE 61 Cb 0.16 0.27 -0.07 0.00 2.79 0.00 0.00 35.95 39.10 1vee h PHE 61 CO -0.22 -0.33 0.06 -0.07 -2.23 0.00 0.00 178.31 175.52 1vee h LEU 62 N -0.41 -0.07 -1.45 0.59 3.38 -0.80 -0.96 115.31 115.58 1vee h LEU 62 Ca 0.04 0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.21 1vee h LEU 62 Cb 0.46 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 1vee h LEU 62 CO -0.16 -0.00 0.49 0.11 0.09 0.00 0.00 178.44 178.96 1vee h LYS 63 N 0.18 0.59 0.00 1.13 1.57 -0.75 -0.42 116.57 118.88 1vee h LYS 63 Ca 0.23 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1vee h LYS 63 Cb 0.32 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1vee h LYS 63 CO -0.33 0.39 -0.03 0.87 -0.57 0.00 0.00 179.45 179.78 1vee h LYS 64 N 0.61 0.00 0.08 3.15 1.57 -0.82 -1.19 116.57 119.97 1vee h LYS 64 Ca 0.35 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.96 1vee h LYS 64 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1vee h LYS 64 CO -0.12 0.03 -0.82 -0.07 -0.57 0.00 0.00 179.45 177.90 1vee h LEU 65 N 0.00 0.26 -1.60 2.94 -0.00 -1.12 -3.35 115.31 112.45 1vee h LEU 65 Ca -0.00 -0.88 0.15 0.00 -0.00 0.00 0.00 57.88 57.14 1vee h LEU 65 Cb 0.06 -0.09 -0.05 0.00 -0.00 0.00 0.00 40.66 40.59 1vee h LEU 65 CO 0.00 1.36 0.50 -1.28 -0.00 0.00 0.00 178.44 179.02 1vee h SER 66 N -0.60 0.37 0.75 -0.43 0.87 -1.02 -0.03 113.55 113.47 1vee h SER 66 Ca -0.17 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1vee h SER 66 Cb 1.46 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 1vee h SER 66 CO 0.04 0.19 0.00 0.00 -0.53 0.00 0.00 176.83 176.54 1vee n LEU 67 N -4.47 0.00 -0.04 2.23 -0.00 -0.49 -4.17 117.00 110.05 1vee n LEU 67 Ca 0.14 0.40 -0.08 0.00 -0.00 0.00 0.00 56.01 56.47 1vee n LEU 67 Cb 0.53 -0.40 -0.03 0.00 -0.00 0.00 0.00 43.42 43.52 1vee n LEU 67 CO 0.33 -0.03 -0.78 2.29 -0.00 0.00 0.00 177.39 179.20 1vee n LYS 68 N -1.40 0.19 -2.40 1.47 -0.00 -0.17 -4.96 118.16 110.89 1vee n LYS 68 Ca 0.10 0.07 -0.43 0.00 -0.00 0.00 0.00 58.31 58.05 1vee n LYS 68 Cb 0.28 -0.91 -0.02 0.00 -0.00 0.00 0.00 35.03 34.37 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 -2.16 2.85 0.27 5.58 0.08 -0.38 -4.92 117.98 119.30 1vee s PHE 69 Ca -0.11 0.99 0.12 0.00 0.12 0.00 0.00 56.93 58.04 1vee s PHE 69 Cb 0.04 -3.52 0.44 0.00 -0.57 0.00 0.00 43.02 39.42 1vee s PHE 69 CO 0.16 -1.77 1.65 1.57 -0.10 0.00 0.00 175.22 176.73 1vee h LYS 70 N 8.16 0.00 -2.11 0.44 -0.00 -1.89 -3.37 116.57 117.79 1vee h LYS 70 Ca -0.28 0.00 -0.58 0.00 -0.00 0.00 0.00 60.65 59.79 1vee h LYS 70 Cb 1.12 0.00 -0.41 0.00 -0.00 0.00 0.00 32.23 32.94 1vee h LYS 70 CO 0.96 0.56 -0.83 -0.40 -0.00 0.00 0.00 179.45 179.73 1vee n ASP 71 N -3.80 2.25 -0.32 7.07 5.75 -1.26 -4.97 116.55 121.27 1vee n ASP 71 Ca -0.01 -3.15 0.04 0.00 -0.01 0.00 0.00 54.79 51.67 1vee n ASP 71 Cb 0.58 -0.65 0.19 0.00 -1.03 0.00 0.00 41.12 40.21 1vee n ASP 71 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1vee h PRO 72 N 3.94 0.87 0.00 0.11 0.13 -1.90 -0.35 132.00 134.81 1vee h PRO 72 Ca 0.14 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1vee h PRO 72 Cb 0.75 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1vee h PRO 72 CO 0.67 0.58 0.03 1.05 -0.23 0.00 0.00 178.00 180.10 1vee h GLU 73 N 0.90 0.00 0.00 0.86 -0.00 -1.86 -1.18 114.58 113.31 1vee h GLU 73 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.80 1vee h GLU 73 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.14 1vee h GLU 73 CO -0.25 0.00 -0.54 0.09 -0.00 0.00 0.00 179.01 178.32 1vee n ASN 74 N -2.32 1.86 -4.67 3.06 3.02 -0.60 -3.39 115.26 112.22 1vee n ASN 74 Ca -0.02 -0.33 -0.41 0.00 -0.03 0.00 0.00 54.58 53.80 1vee n ASN 74 Cb 0.07 1.05 -0.05 0.00 -0.61 0.00 0.00 39.78 40.24 1vee n ASN 74 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1vee s THR 75 N -1.64 4.96 -0.01 3.41 2.01 -0.24 -4.77 115.64 119.36 1vee s THR 75 Ca 0.00 1.42 -0.21 0.00 0.31 0.00 0.00 61.69 63.21 1vee s THR 75 Cb 0.02 -4.04 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 1vee s THR 75 CO 0.11 0.09 0.61 -0.89 -0.69 0.00 0.00 174.62 173.85 1vee s THR 76 N 1.91 4.91 -0.49 -0.82 2.01 -0.92 -3.08 115.64 119.15 1vee s THR 76 Ca 0.34 1.28 -0.04 0.00 0.31 0.00 0.00 61.69 63.58 1vee s THR 76 Cb -0.16 -3.95 0.13 0.00 0.01 0.00 0.00 72.50 68.53 1vee s THR 76 CO 0.12 0.40 0.31 -0.76 -0.69 0.00 0.00 174.62 174.00 1vee s LEU 77 N -0.12 5.34 -0.32 4.42 1.02 -0.88 -0.66 118.68 127.49 1vee s LEU 77 Ca 0.32 -2.28 -0.29 0.00 0.02 0.00 0.00 54.13 51.89 1vee s LEU 77 Cb -0.18 -1.87 0.00 0.00 0.02 0.00 0.00 46.19 44.16 1vee s LEU 77 CO 0.18 -0.51 1.35 -0.31 0.02 0.00 0.00 176.35 177.07 1vee s TYR 78 N 0.78 2.58 0.35 0.29 1.51 -0.08 -3.91 117.35 118.86 1vee s TYR 78 Ca 0.11 0.80 -0.25 0.00 -1.01 0.00 0.00 57.07 56.72 1vee s TYR 78 Cb -0.22 -4.00 -0.10 0.00 -0.11 0.00 0.00 41.96 37.53 1vee s TYR 78 CO -0.04 -1.86 0.98 0.42 -1.11 0.00 0.00 175.55 173.94 1vee s ILE 79 N 4.65 4.08 -0.39 2.71 -1.09 -0.96 -0.51 121.20 129.69 1vee s ILE 79 Ca 0.58 1.67 0.03 0.00 -2.23 0.00 0.00 60.65 60.70 1vee s ILE 79 Cb -0.17 -3.90 0.16 0.00 -1.58 0.00 0.00 42.46 36.97 1vee s ILE 79 CO 0.26 0.09 0.30 -0.22 -1.23 0.00 0.00 174.94 174.14 1vee s LEU 80 N -2.24 1.14 0.78 2.97 2.96 -0.27 -1.96 118.68 122.06 1vee s LEU 80 Ca 0.52 -2.70 -0.05 0.00 -0.22 0.00 0.00 54.13 51.68 1vee s LEU 80 Cb -0.19 -0.34 0.13 0.00 0.50 0.00 0.00 46.19 46.29 1vee s LEU 80 CO 0.25 -0.22 1.07 -0.62 -1.32 0.00 0.00 176.35 175.51 1vee s ASP 81 N 0.46 4.12 0.15 3.68 -1.08 -1.26 -3.59 116.67 119.15 1vee s ASP 81 Ca 0.27 -0.08 -0.20 0.00 -0.52 0.00 0.00 52.55 52.03 1vee s ASP 81 Cb -0.06 -0.27 0.03 0.00 -1.46 0.00 0.00 42.92 41.17 1vee s ASP 81 CO -0.12 -2.03 1.67 0.07 0.52 0.00 0.00 175.17 175.28 1vee h LYS 82 N -0.81 -0.09 0.00 4.34 2.10 -1.94 -3.06 116.57 117.11 1vee h LYS 82 Ca -0.40 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 1vee h LYS 82 Cb 1.27 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1vee h LYS 82 CO 0.43 -0.06 0.00 1.19 -2.00 0.00 0.00 179.45 179.01 1vee n PHE 83 N -5.30 0.00 -0.19 0.07 3.72 -1.26 -0.90 117.46 113.59 1vee n PHE 83 Ca -0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 1vee n PHE 83 Cb 0.21 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.77 1vee n PHE 83 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1vee h ASP 84 N 0.00 1.00 0.00 4.37 5.19 -1.87 -3.22 116.42 121.89 1vee h ASP 84 Ca 0.00 -0.32 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 1vee h ASP 84 Cb 0.00 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.24 1vee h ASP 84 CO 0.00 1.09 0.00 0.61 -3.12 0.00 0.00 179.24 177.82 1vee n GLY 85 N -0.35 2.51 0.94 2.75 0.00 -1.26 -2.58 105.19 107.19 1vee n GLY 85 Ca 0.02 0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.23 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 1.47 3.06 -0.35 1.61 3.02 -1.26 -4.81 115.26 118.00 1vee n ASN 86 Ca 0.00 -1.90 -0.10 0.00 -0.03 0.00 0.00 54.58 52.55 1vee n ASN 86 Cb 0.00 -0.16 -0.09 0.00 -0.61 0.00 0.00 39.78 38.92 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 3.84 -1.91 -0.93 6.41 0.02 -1.85 -1.29 113.55 117.83 1vee h SER 87 Ca 0.00 0.29 0.16 0.00 -0.84 0.00 0.00 61.79 61.39 1vee h SER 87 Cb 0.87 0.84 -0.08 0.00 0.14 0.00 0.00 62.40 64.17 1vee h SER 87 CO 0.00 -0.22 0.59 -0.33 -1.14 0.00 0.00 176.83 175.73 1vee h GLU 88 N -0.04 0.68 -0.09 3.45 5.08 -1.87 0.19 114.58 121.98 1vee h GLU 88 Ca 0.13 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1vee h GLU 88 Cb 0.39 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1vee h GLU 88 CO -0.80 0.45 -0.16 1.25 -1.00 0.00 0.00 179.01 178.75 1vee h LEU 89 N 0.70 0.30 -1.99 1.33 7.12 -1.69 -2.86 115.31 118.23 1vee h LEU 89 Ca 0.48 -0.54 -0.02 0.00 0.13 0.00 0.00 57.88 57.94 1vee h LEU 89 Cb 0.79 -0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.84 1vee h LEU 89 CO -0.24 0.78 -0.08 0.58 -0.13 0.00 0.00 178.44 179.36 1vee h VAL 90 N -0.17 0.86 -0.28 1.05 2.07 -0.13 -0.89 116.25 118.75 1vee h VAL 90 Ca 0.01 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 67.13 1vee h VAL 90 Cb 0.72 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1vee h VAL 90 CO 0.04 0.07 -0.32 0.00 0.02 0.00 0.00 177.57 177.38 1vee h ALA 91 N 1.92 0.91 0.19 1.67 0.00 -0.51 -2.61 119.26 120.84 1vee h ALA 91 Ca -0.00 -0.40 -0.28 0.00 0.00 0.00 0.00 54.91 54.23 1vee h ALA 91 Cb 0.15 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 17.85 1vee h ALA 91 CO 0.01 0.62 -1.23 1.05 0.00 0.00 0.00 179.25 179.70 1vee h GLU 92 N 0.51 0.50 -0.01 0.00 4.11 -1.12 -3.30 114.58 115.27 1vee h GLU 92 Ca 0.06 -0.79 0.02 0.00 0.07 0.00 0.00 59.36 58.72 1vee h GLU 92 Cb 0.81 0.28 -0.05 0.00 0.50 0.00 0.00 28.75 30.29 1vee h GLU 92 CO 0.07 1.37 -0.50 1.25 0.07 0.00 0.00 179.01 181.27 1vee h LEU 93 N 0.03 -1.54 -0.92 3.06 5.85 -1.12 0.17 115.31 120.85 1vee h LEU 93 Ca -0.21 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.71 1vee h LEU 93 Cb 1.95 0.58 -0.05 0.00 0.37 0.00 0.00 40.66 43.51 1vee h LEU 93 CO 0.23 -0.48 0.60 -0.37 -0.34 0.00 0.00 178.44 178.08 1vee h VAL 94 N -0.62 1.20 -0.10 1.05 -1.51 -1.64 -1.91 116.25 112.71 1vee h VAL 94 Ca 0.01 -0.41 -0.00 0.00 -1.23 0.00 0.00 66.70 65.07 1vee h VAL 94 Cb 0.67 -0.11 -0.00 0.00 -2.13 0.00 0.00 31.29 29.71 1vee h VAL 94 CO -0.34 0.22 0.06 0.00 -1.23 0.00 0.00 177.57 176.28 1vee h ALA 95 N 1.36 0.13 0.00 5.19 0.00 -1.50 0.03 119.26 124.46 1vee h ALA 95 Ca 0.35 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1vee h ALA 95 Cb -0.07 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1vee h ALA 95 CO -0.10 -0.33 -0.13 -0.07 0.00 0.00 0.00 179.25 178.62 1vee h LEU 96 N 0.07 0.00 -0.06 0.00 -0.00 -0.70 -2.76 115.31 111.86 1vee h LEU 96 Ca 0.04 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.75 1vee h LEU 96 Cb 0.07 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.74 1vee h LEU 96 CO -0.01 0.13 -0.59 0.78 -0.00 0.00 0.00 178.44 178.75 1vee h ASN 97 N 0.00 0.63 0.00 -0.43 2.35 -0.92 -3.47 115.58 113.73 1vee h ASN 97 Ca -0.00 -0.69 0.00 0.00 -0.55 0.00 0.00 56.30 55.06 1vee h ASN 97 Cb 0.26 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1vee h ASN 97 CO 0.02 1.22 0.00 0.61 -1.65 0.00 0.00 177.43 177.63 1vee n GLY 98 N 0.85 0.00 3.74 2.83 0.00 -0.82 -5.11 105.19 106.68 1vee n GLY 98 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 2.31 0.00 1.61 0.40 -0.07 -3.20 117.98 119.03 1vee s PHE 99 Ca 0.00 1.60 -0.01 0.00 -0.60 0.00 0.00 56.93 57.92 1vee s PHE 99 Cb 0.00 -3.13 -0.00 0.00 0.51 0.00 0.00 43.02 40.40 1vee s PHE 99 CO 0.00 -2.11 1.01 -0.22 0.70 0.00 0.00 175.22 174.60 1vee h LYS 100 N -1.36 -0.03 0.00 0.44 1.63 -1.18 -3.40 116.57 112.67 1vee h LYS 100 Ca -0.44 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.24 1vee h LYS 100 Cb 1.24 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.86 1vee h LYS 100 CO 0.49 -0.02 0.07 0.43 -3.45 0.00 0.00 179.45 176.97 1vee n SER 101 N -2.13 -1.59 -3.53 4.20 7.64 -1.26 -4.93 113.62 112.02 1vee n SER 101 Ca -0.00 -2.45 -0.15 0.00 1.01 0.00 0.00 58.87 57.28 1vee n SER 101 Cb 0.01 2.74 -0.05 0.00 -1.01 0.00 0.00 64.21 65.91 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 -2.21 -1.49 -0.17 -0.43 0.00 -1.26 -2.07 121.76 114.14 1vee s ALA 102 Ca 0.18 0.77 -0.04 0.00 0.00 0.00 0.00 51.96 52.87 1vee s ALA 102 Cb -0.03 0.37 0.07 0.00 0.00 0.00 0.00 23.12 23.53 1vee s ALA 102 CO 0.13 -0.51 0.16 0.71 0.00 0.00 0.00 175.76 176.25 1vee s TYR 103 N -2.33 -0.07 -0.24 0.00 1.51 -1.25 -4.65 117.35 110.32 1vee s TYR 103 Ca -0.06 0.09 -0.29 0.00 -1.01 0.00 0.00 57.07 55.80 1vee s TYR 103 Cb -0.01 -0.47 0.01 0.00 -0.11 0.00 0.00 41.96 41.38 1vee s TYR 103 CO -0.01 -0.50 1.04 0.00 -1.11 0.00 0.00 175.55 174.97 1vee s ALA 104 N 2.25 3.67 -0.42 3.71 0.00 0.36 -2.26 121.76 129.06 1vee s ALA 104 Ca 0.04 0.15 -0.28 0.00 0.00 0.00 0.00 51.96 51.87 1vee s ALA 104 Cb -0.15 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1vee s ALA 104 CO -0.10 -1.08 1.52 0.42 0.00 0.00 0.00 175.76 176.53 1vee s ILE 105 N 3.22 3.76 0.66 0.00 1.09 -0.83 -2.70 121.20 126.40 1vee s ILE 105 Ca 0.44 0.75 -0.17 0.00 -1.10 0.00 0.00 60.65 60.56 1vee s ILE 105 Cb -0.15 -4.10 -0.00 0.00 -1.06 0.00 0.00 42.46 37.15 1vee s ILE 105 CO 0.07 -0.74 1.24 -0.75 -0.10 0.00 0.00 174.94 174.66 1vee s LYS 106 N 5.29 2.54 0.00 2.79 2.47 -1.26 -2.58 119.74 128.99 1vee s LYS 106 Ca 0.65 1.90 0.00 0.00 -1.56 0.00 0.00 55.97 56.96 1vee s LYS 106 Cb -0.15 -1.86 0.00 0.00 -1.46 0.00 0.00 37.83 34.35 1vee s LYS 106 CO 0.31 -1.57 0.00 -0.25 0.16 0.00 0.00 175.35 174.01 1vee n ASP 107 N -2.08 -0.13 0.00 1.43 9.92 -1.26 -4.50 116.55 119.93 1vee n ASP 107 Ca 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 1vee n ASP 107 Cb 0.49 -0.85 0.00 0.00 -0.64 0.00 0.00 41.12 40.12 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 -1.99 3.39 0.00 0.44 0.00 -1.06 -1.07 105.19 104.89 1vee n GLY 108 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 11.36 1.71 0.81 4.61 0.00 -0.08 -1.37 120.51 137.55 1vee n ALA 109 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1vee n ALA 109 Cb 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 1vee n ALA 109 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vee n GLU 110 N -1.45 0.12 -1.18 0.00 1.02 -0.46 -3.60 120.64 115.11 1vee n GLU 110 Ca 0.00 -0.02 -0.29 0.00 -0.02 0.00 0.00 57.16 56.83 1vee n GLU 110 Cb 0.18 -1.52 0.21 0.00 -0.02 0.00 0.00 31.44 30.29 1vee n GLU 110 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1vee s GLY 111 N -3.28 1.58 0.54 0.62 0.00 -0.23 -4.87 107.32 101.68 1vee s GLY 111 Ca 0.06 -0.72 0.21 0.00 0.00 0.00 0.00 44.72 44.28 1vee s GLY 111 CO 0.83 0.04 2.18 -0.56 0.00 0.00 0.00 173.10 175.60 1vee h PRO 112 N -2.23 0.00 -0.01 2.90 0.13 -1.94 -2.29 132.00 128.56 1vee h PRO 112 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1vee h PRO 112 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1vee h PRO 112 CO 0.45 0.01 0.00 -2.13 -0.23 0.00 0.00 178.00 176.10 1vee n ARG 113 N -4.25 -0.20 -0.82 0.86 0.63 -1.26 -4.79 116.66 106.83 1vee n ARG 113 Ca -0.03 -0.79 -0.33 0.00 -0.92 0.00 0.00 57.85 55.78 1vee n ARG 113 Cb 0.10 -1.06 0.11 0.00 0.45 0.00 0.00 32.46 32.06 1vee n ARG 113 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1vee n GLY 114 N 0.13 -2.31 0.09 5.14 0.00 -0.86 -3.91 105.19 103.48 1vee n GLY 114 Ca 0.02 -0.76 -0.02 0.00 0.00 0.00 0.00 46.02 45.26 1vee n GLY 114 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1vee n TRP 115 N -3.49 -0.10 0.26 1.61 -0.00 -0.47 -0.72 117.44 114.52 1vee n TRP 115 Ca 0.06 0.28 -0.18 0.00 -0.00 0.00 0.00 57.50 57.66 1vee n TRP 115 Cb 0.54 -0.43 -0.10 0.00 -0.00 0.00 0.00 31.31 31.32 1vee n TRP 115 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1vee h LEU 116 N 0.00 -1.43 0.00 5.87 3.38 -1.83 -1.80 115.31 119.50 1vee h LEU 116 Ca 0.04 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1vee h LEU 116 Cb 0.09 0.48 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1vee h LEU 116 CO -0.21 -0.64 0.00 0.59 0.09 0.00 0.00 178.44 178.27 1vee n ASN 117 N -5.50 0.00 -1.35 -0.43 3.02 0.10 -1.80 115.26 109.31 1vee n ASN 117 Ca -0.11 -0.01 0.09 0.00 -0.03 0.00 0.00 54.58 54.52 1vee n ASN 117 Cb 0.45 -0.14 0.31 0.00 -0.61 0.00 0.00 39.78 39.79 1vee n ASN 117 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1vee n SER 118 N -1.14 3.95 -0.28 6.41 7.64 -0.23 -4.74 113.62 125.23 1vee n SER 118 Ca 0.04 -2.23 -0.04 0.00 1.01 0.00 0.00 58.87 57.65 1vee n SER 118 Cb 0.04 -0.50 -0.02 0.00 -1.01 0.00 0.00 64.21 62.72 1vee n SER 118 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1vee n SER 119 N 1.16 -4.96 -4.86 6.43 2.88 -0.74 -4.83 113.62 108.69 1vee n SER 119 Ca 0.22 0.09 -0.31 0.00 -1.33 0.00 0.00 58.87 57.54 1vee n SER 119 Cb 0.70 -2.78 -0.01 0.00 -0.75 0.00 0.00 64.21 61.36 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 -0.83 3.45 0.39 2.46 1.43 -1.18 -5.05 118.68 119.34 1vee s LEU 120 Ca 0.00 1.45 -0.23 0.00 -1.03 0.00 0.00 54.13 54.32 1vee s LEU 120 Cb 0.00 -4.44 -0.10 0.00 0.03 0.00 0.00 46.19 41.68 1vee s LEU 120 CO 0.00 -0.71 0.97 -2.16 0.23 0.00 0.00 176.35 174.68 1vee s PRO 121 N -4.62 4.32 -0.03 1.29 0.04 -1.26 -4.67 135.00 130.07 1vee s PRO 121 Ca 0.56 1.29 -0.06 0.00 0.04 0.00 0.00 61.00 62.83 1vee s PRO 121 Cb -0.10 -2.47 0.01 0.00 0.04 0.00 0.00 34.50 31.98 1vee s PRO 121 CO 0.43 0.03 0.14 -0.46 0.04 0.00 0.00 177.00 177.18 1vee s TRP 122 N -1.86 -0.07 -1.02 0.56 -0.11 -1.26 -3.60 118.94 111.58 1vee s TRP 122 Ca 0.57 0.17 -0.18 0.00 1.22 0.00 0.00 56.10 57.88 1vee s TRP 122 Cb -0.15 0.01 0.14 0.00 -1.50 0.00 0.00 33.47 31.96 1vee s TRP 122 CO 0.20 -0.16 1.24 0.42 -4.62 0.00 0.00 176.95 174.02 1vee s ILE 123 N -0.53 4.77 0.41 5.86 1.01 0.69 -4.91 121.20 128.50 1vee s ILE 123 Ca -0.06 -1.84 -0.23 0.00 0.00 0.00 0.00 60.65 58.52 1vee s ILE 123 Cb -0.04 -4.84 -0.09 0.00 0.01 0.00 0.00 42.46 37.50 1vee s ILE 123 CO 0.01 -1.57 1.02 -1.61 0.00 0.00 0.00 174.94 172.79 1vee s GLU 124 N 2.51 4.15 0.79 2.79 2.02 -1.26 -1.81 118.70 127.89 1vee s GLU 124 Ca 0.36 1.39 -0.09 0.00 0.02 0.00 0.00 54.97 56.65 1vee s GLU 124 Cb -0.04 -2.42 0.11 0.00 0.10 0.00 0.00 34.13 31.88 1vee s GLU 124 CO -0.07 -0.13 1.12 -1.25 0.02 0.00 0.00 175.26 174.95 1vee s PRO 125 N -2.71 1.66 0.58 0.39 0.04 -1.26 -4.97 135.00 128.73 1vee s PRO 125 Ca 0.60 -0.39 0.35 0.00 0.04 0.00 0.00 61.00 61.60 1vee s PRO 125 Cb -0.18 -2.08 1.77 0.00 0.04 0.00 0.00 34.50 34.04 1vee s PRO 125 CO 0.23 -1.64 2.15 -0.22 0.04 0.00 0.00 177.00 177.56 1vee h LYS 126 N -0.93 0.00 -6.82 4.56 3.64 -1.97 -3.44 116.57 111.61 1vee h LYS 126 Ca -0.43 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.40 1vee h LYS 126 Cb 1.29 0.00 0.19 0.00 -0.41 0.00 0.00 32.23 33.30 1vee h LYS 126 CO 0.52 0.04 -0.22 1.17 -2.27 0.00 0.00 179.45 178.69 1vee n LYS 127 N -3.30 0.22 -2.73 1.90 3.00 -1.26 -4.98 118.16 111.01 1vee n LYS 127 Ca -0.02 0.13 -0.04 0.00 -0.00 0.00 0.00 58.31 58.38 1vee n LYS 127 Cb 0.20 -2.00 0.07 0.00 0.00 0.00 0.00 35.03 33.29 1vee n LYS 127 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1vee n THR 128 N -2.75 0.78 -3.25 3.15 5.66 -1.26 -4.94 114.28 111.67 1vee n THR 128 Ca 0.11 -2.44 -0.25 0.00 -3.05 0.00 0.00 64.05 58.42 1vee n THR 128 Cb 0.50 1.00 -0.07 0.00 -1.55 0.00 0.00 70.33 70.21 1vee n THR 128 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1vee n SER 129 N -0.57 0.98 -2.88 1.09 2.88 -1.26 -4.98 113.62 108.87 1vee n SER 129 Ca 0.02 -2.86 0.02 0.00 -1.33 0.00 0.00 58.87 54.73 1vee n SER 129 Cb 0.83 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 1vee n SER 129 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1vee s GLY 130 N -1.46 -1.41 0.46 0.46 0.00 -1.26 -4.98 107.32 99.12 1vee s GLY 130 Ca 0.36 1.30 -0.07 0.00 0.00 0.00 0.00 44.72 46.31 1vee s GLY 130 CO -0.09 4.20 0.62 -1.55 0.00 0.00 0.00 173.10 176.28 1vee n PRO 131 N 4.03 -0.54 -1.59 2.90 -0.04 -1.26 -4.93 135.00 133.57 1vee n PRO 131 Ca 0.07 -1.01 -0.41 0.00 -0.04 0.00 0.00 63.50 62.11 1vee n PRO 131 Cb 0.62 -0.62 -0.01 0.00 -0.04 0.00 0.00 33.50 33.44 1vee n PRO 131 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1vee n SER 132 N -3.37 5.69 -4.73 3.54 7.64 -1.26 -4.96 113.62 116.17 1vee n SER 132 Ca 0.08 -2.75 -0.39 0.00 1.01 0.00 0.00 58.87 56.83 1vee n SER 132 Cb 0.28 -1.62 0.04 0.00 -1.01 0.00 0.00 64.21 61.90 1vee n SER 132 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1vee n SER 133 N 5.13 2.53 -0.20 6.43 7.64 -1.26 -5.26 113.62 128.62 1vee n SER 133 Ca 0.62 0.97 0.15 0.00 1.01 0.00 0.00 58.87 61.62 1vee n SER 133 Cb 0.33 -1.56 0.77 0.00 -1.01 0.00 0.00 64.21 62.74 1vee n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64