#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vee s SER 2 N 0.00 0.06 -0.28 1.61 1.04 -1.26 -5.18 113.70 109.69 1vee s SER 2 Ca 0.00 -1.11 -0.09 0.00 0.48 0.00 0.00 55.95 55.24 1vee s SER 2 Cb 0.00 0.53 0.13 0.00 0.10 0.00 0.00 66.02 66.78 1vee s SER 2 CO 0.00 -1.07 0.60 -0.55 0.98 0.00 0.00 173.24 173.20 1vee s SER 3 N -3.08 -0.99 0.00 7.02 0.15 -1.26 -5.13 113.70 110.41 1vee s SER 3 Ca 0.28 1.39 0.00 0.00 0.70 0.00 0.00 55.95 58.32 1vee s SER 3 Cb 0.02 2.11 0.00 0.00 -1.71 0.00 0.00 66.02 66.44 1vee s SER 3 CO 0.11 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1vee n GLY 4 N 5.44 4.01 3.59 9.45 0.00 -1.26 -4.73 105.19 121.68 1vee n GLY 4 Ca -0.10 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 1vee n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vee s SER 5 N 0.00 5.56 0.14 1.61 0.01 -1.26 -4.95 113.70 114.81 1vee s SER 5 Ca 0.00 1.44 0.01 0.00 1.31 0.00 0.00 55.95 58.72 1vee s SER 5 Cb 0.00 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 1vee s SER 5 CO 0.00 -1.95 -0.02 -0.94 0.41 0.00 0.00 173.24 170.74 1vee s SER 6 N 7.58 1.04 0.00 2.44 1.04 -1.26 -0.42 113.70 124.12 1vee s SER 6 Ca 0.88 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1vee s SER 6 Cb -0.25 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1vee s SER 6 CO 0.33 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1vee n GLY 7 N -0.14 0.16 3.31 7.32 0.00 -1.06 -4.89 105.19 109.89 1vee n GLY 7 Ca -0.09 0.51 -0.09 0.00 0.00 0.00 0.00 46.02 46.35 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 2.00 0.04 0.20 1.61 1.04 -1.26 -3.65 113.70 113.68 1vee s SER 8 Ca 0.00 -0.77 -0.10 0.00 0.48 0.00 0.00 55.95 55.56 1vee s SER 8 Cb 0.00 0.42 0.13 0.00 0.10 0.00 0.00 66.02 66.67 1vee s SER 8 CO 0.00 -0.85 1.81 0.00 0.98 0.00 0.00 173.24 175.17 1vee h ALA 9 N 2.58 0.92 0.04 5.32 0.00 -1.82 -1.24 119.26 125.06 1vee h ALA 9 Ca -0.32 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.49 1vee h ALA 9 Cb 1.22 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1vee h ALA 9 CO 0.50 0.45 -0.33 0.87 0.00 0.00 0.00 179.25 180.74 1vee h LYS 10 N 1.00 -0.49 -0.41 0.00 1.57 -1.91 0.02 116.57 116.34 1vee h LYS 10 Ca 0.25 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 1vee h LYS 10 Cb 0.06 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1vee h LYS 10 CO -0.04 -0.33 0.21 -0.97 -0.57 0.00 0.00 179.45 177.75 1vee h ASN 11 N -0.51 0.53 -0.85 0.86 -1.24 -1.93 -2.64 115.58 109.81 1vee h ASN 11 Ca 0.05 -0.11 0.04 0.00 0.71 0.00 0.00 56.30 56.98 1vee h ASN 11 Cb 0.58 -0.14 -0.05 0.00 0.73 0.00 0.00 38.32 39.44 1vee h ASN 11 CO -0.25 0.49 0.54 0.00 -1.29 0.00 0.00 177.43 176.93 1vee h ALA 12 N 1.06 1.12 -0.18 1.57 0.00 -0.85 -0.54 119.26 121.44 1vee h ALA 12 Ca 0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1vee h ALA 12 Cb 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1vee h ALA 12 CO -0.02 0.36 0.11 -0.92 0.00 0.00 0.00 179.25 178.78 1vee h TYR 13 N 1.04 0.23 -0.64 0.00 3.20 -0.79 -1.05 116.97 118.96 1vee h TYR 13 Ca 0.34 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.21 1vee h TYR 13 Cb 0.03 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1vee h TYR 13 CO -0.02 0.18 0.40 1.15 -1.64 0.00 0.00 178.16 178.22 1vee h THR 14 N 0.22 1.18 -0.57 1.81 2.02 -1.08 -2.68 112.91 113.81 1vee h THR 14 Ca 0.06 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 66.77 1vee h THR 14 Cb 0.01 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 1vee h THR 14 CO -0.01 0.18 -0.01 0.11 0.37 0.00 0.00 175.52 176.16 1vee h LYS 15 N 0.87 0.99 0.00 6.66 6.56 -0.80 -2.01 116.57 128.84 1vee h LYS 15 Ca 0.23 -0.31 -0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1vee h LYS 15 Cb -0.05 -0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 31.52 1vee h LYS 15 CO -0.05 0.98 -0.01 -0.07 -2.06 0.00 0.00 179.45 178.24 1vee h LEU 16 N 0.91 0.00 0.00 2.94 3.38 -0.91 0.60 115.31 122.23 1vee h LEU 16 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1vee h LEU 16 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1vee h LEU 16 CO 0.03 0.01 -0.54 0.61 0.09 0.00 0.00 178.44 178.64 1vee n GLY 17 N -0.57 -1.35 0.08 0.83 0.00 -0.78 -4.04 105.19 99.35 1vee n GLY 17 Ca -0.01 -0.28 0.01 0.00 0.00 0.00 0.00 46.02 45.73 1vee n GLY 17 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vee n THR 18 N -1.81 0.00 -3.95 2.61 -2.24 -0.51 -4.93 114.28 103.46 1vee n THR 18 Ca 0.04 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 61.03 1vee n THR 18 Cb 0.39 1.04 -0.15 0.00 -2.10 0.00 0.00 70.33 69.50 1vee n THR 18 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1vee s ASP 19 N -0.46 3.96 0.34 3.42 -1.08 0.09 -5.02 116.67 117.91 1vee s ASP 19 Ca 0.03 -1.26 0.12 0.00 -0.52 0.00 0.00 52.55 50.91 1vee s ASP 19 Cb 0.02 -1.22 0.59 0.00 -1.46 0.00 0.00 42.92 40.85 1vee s ASP 19 CO 0.05 -0.25 1.75 -0.78 0.52 0.00 0.00 175.17 176.46 1vee h ASP 20 N 7.93 0.00 1.02 -0.34 3.58 -1.88 -3.21 116.42 123.52 1vee h ASP 20 Ca -0.17 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.11 1vee h ASP 20 Cb 1.06 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.09 1vee h ASP 20 CO 0.42 0.46 -1.04 0.78 -2.88 0.00 0.00 179.24 176.98 1vee h ASN 21 N 0.00 0.00 -3.69 2.28 -0.26 -1.95 -3.47 115.58 108.50 1vee h ASN 21 Ca -0.00 0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 55.20 1vee h ASN 21 Cb 0.81 0.00 0.08 0.00 -1.06 0.00 0.00 38.32 38.15 1vee h ASN 21 CO 0.06 0.69 0.76 0.00 -1.06 0.00 0.00 177.43 177.88 1vee s ALA 22 N -2.86 3.60 -0.05 -0.83 0.00 -1.21 -4.33 121.76 116.09 1vee s ALA 22 Ca 0.00 1.45 -0.02 0.00 0.00 0.00 0.00 51.96 53.39 1vee s ALA 22 Cb 0.08 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.66 1vee s ALA 22 CO 0.79 -0.88 0.08 -0.65 0.00 0.00 0.00 175.76 175.10 1vee s GLN 23 N -1.35 -0.04 0.15 0.00 -1.52 -1.16 -4.93 119.66 110.82 1vee s GLN 23 Ca 0.55 0.40 -0.34 0.00 -1.95 0.00 0.00 55.36 54.02 1vee s GLN 23 Cb -0.44 -0.40 -0.14 0.00 -0.22 0.00 0.00 33.01 31.81 1vee s GLN 23 CO 0.54 -0.29 1.58 -0.11 -0.25 0.00 0.00 175.29 176.75 1vee n LEU 24 N 5.09 3.05 -4.17 2.90 -0.00 -1.26 -3.99 117.00 118.62 1vee n LEU 24 Ca -0.08 1.08 -0.39 0.00 -0.00 0.00 0.00 56.01 56.62 1vee n LEU 24 Cb 0.50 -1.42 -0.10 0.00 -0.00 0.00 0.00 43.42 42.41 1vee n LEU 24 CO 0.09 -0.31 -0.08 -0.22 -0.00 0.00 0.00 177.39 176.87 1vee s LEU 25 N 0.96 5.50 -0.41 -1.96 2.96 0.34 -0.50 118.68 125.58 1vee s LEU 25 Ca 0.79 -2.02 -0.28 0.00 -0.22 0.00 0.00 54.13 52.41 1vee s LEU 25 Cb -0.69 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.10 1vee s LEU 25 CO 0.38 -0.62 1.04 -1.81 -1.32 0.00 0.00 176.35 174.03 1vee s ASP 26 N 2.22 6.70 0.00 3.68 1.01 -1.04 -1.10 116.67 128.14 1vee s ASP 26 Ca 0.07 0.59 0.22 0.00 0.71 0.00 0.00 52.55 54.14 1vee s ASP 26 Cb -0.24 -2.51 0.53 0.00 1.01 0.00 0.00 42.92 41.70 1vee s ASP 26 CO -0.02 -1.03 1.46 2.30 0.21 0.00 0.00 175.17 178.08 1vee n ILE 27 N 6.33 0.67 -0.77 0.77 -5.35 -0.22 -1.95 119.36 118.84 1vee n ILE 27 Ca 0.10 -0.81 -0.29 0.00 -0.27 0.00 0.00 62.75 61.48 1vee n ILE 27 Cb 0.48 0.73 0.24 0.00 -1.74 0.00 0.00 39.64 39.35 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 -1.33 -0.94 0.28 6.28 0.52 -1.24 -2.58 118.95 119.95 1vee s ARG 28 Ca 0.42 0.50 -0.24 0.00 -0.52 0.00 0.00 55.73 55.89 1vee s ARG 28 Cb 0.23 -1.58 -0.09 0.00 0.52 0.00 0.00 34.95 34.03 1vee s ARG 28 CO 0.32 -3.65 0.86 0.00 0.02 0.00 0.00 175.30 172.85 1vee s ALA 29 N -2.65 3.29 0.35 2.13 0.00 -1.26 -4.23 121.76 119.39 1vee s ALA 29 Ca 0.68 0.39 0.15 0.00 0.00 0.00 0.00 51.96 53.18 1vee s ALA 29 Cb -0.20 -3.05 1.11 0.00 0.00 0.00 0.00 23.12 20.99 1vee s ALA 29 CO 0.61 0.23 1.66 1.15 0.00 0.00 0.00 175.76 179.41 1vee h THR 30 N 2.67 0.28 -0.67 0.00 2.02 -1.99 -0.21 112.91 115.01 1vee h THR 30 Ca -0.47 -0.10 0.08 0.00 0.77 0.00 0.00 66.41 66.68 1vee h THR 30 Cb 1.19 -0.05 -0.06 0.00 -1.74 0.00 0.00 68.15 67.49 1vee h THR 30 CO 0.65 0.06 0.34 0.00 0.37 0.00 0.00 175.52 176.94 1vee h ALA 31 N 1.85 0.90 -0.77 6.16 0.00 -2.00 -2.11 119.26 123.29 1vee h ALA 31 Ca 0.74 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.73 1vee h ALA 31 Cb 1.73 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 1vee h ALA 31 CO -0.61 -0.03 0.50 -0.44 0.00 0.00 0.00 179.25 178.68 1vee h ASP 32 N 0.61 0.79 0.08 0.00 5.19 -1.40 -0.20 116.42 121.49 1vee h ASP 32 Ca 0.31 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 1vee h ASP 32 Cb 0.28 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1vee h ASP 32 CO -0.23 0.54 0.00 0.49 -3.12 0.00 0.00 179.24 176.92 1vee n PHE 33 N -4.46 0.00 0.00 4.55 3.01 -0.79 -0.43 117.46 119.34 1vee n PHE 33 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1vee n PHE 33 Cb 0.14 -0.38 0.00 0.00 -0.01 0.00 0.00 39.48 39.22 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 -1.38 3.50 -0.10 -1.08 1.74 -0.37 -4.01 116.66 114.96 1vee n ARG 34 Ca 0.01 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.86 1vee n ARG 34 Cb 0.03 -0.66 -0.12 0.00 -1.02 0.00 0.00 32.46 30.70 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 -1.03 0.63 -0.00 5.56 1.13 -0.23 -4.67 117.38 118.78 1vee n GLN 35 Ca 0.00 0.30 0.04 0.00 -1.94 0.00 0.00 57.00 55.40 1vee n GLN 35 Cb 0.00 -1.60 -0.06 0.00 0.11 0.00 0.00 30.24 28.70 1vee n GLN 35 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 1vee n VAL 36 N -3.88 0.00 -0.75 5.09 3.14 0.43 -4.69 118.33 117.67 1vee n VAL 36 Ca -0.43 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 60.75 1vee n VAL 36 Cb 0.90 0.43 0.00 0.00 -1.06 0.00 0.00 33.84 34.11 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 1.95 -1.23 3.34 7.55 0.00 -0.53 -4.14 105.19 112.13 1vee n GLY 37 Ca -0.01 -1.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 1vee n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vee s SER 38 N -4.00 0.07 0.71 1.61 0.01 -1.01 -3.98 113.70 107.11 1vee s SER 38 Ca 0.00 -1.05 -0.12 0.00 1.31 0.00 0.00 55.95 56.08 1vee s SER 38 Cb 0.00 0.44 0.03 0.00 0.21 0.00 0.00 66.02 66.70 1vee s SER 38 CO 0.00 -0.92 1.09 -2.16 0.41 0.00 0.00 173.24 171.66 1vee s PRO 39 N -4.04 2.61 -0.49 12.44 0.04 -1.26 -1.38 135.00 142.93 1vee s PRO 39 Ca 0.25 1.19 0.07 0.00 0.04 0.00 0.00 61.00 62.54 1vee s PRO 39 Cb 0.04 -1.94 0.37 0.00 0.04 0.00 0.00 34.50 33.01 1vee s PRO 39 CO 0.05 -1.37 0.95 0.27 0.04 0.00 0.00 177.00 176.94 1vee n ASN 40 N -3.05 3.68 -0.03 6.66 2.04 -1.26 -4.76 115.26 118.55 1vee n ASN 40 Ca 0.09 -3.50 0.00 0.00 -0.44 0.00 0.00 54.58 50.73 1vee n ASN 40 Cb 0.53 -0.54 0.00 0.00 -2.53 0.00 0.00 39.78 37.23 1vee n ASN 40 CO 0.00 0.00 0.00 2.30 -0.44 0.00 0.00 177.26 179.12 1vee n ILE 41 N -0.20 0.00 -0.29 1.53 -5.35 -1.26 -3.90 119.36 109.89 1vee n ILE 41 Ca 0.30 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.82 1vee n ILE 41 Cb 0.54 -0.21 0.18 0.00 -1.74 0.00 0.00 39.64 38.41 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 0.02 0.69 -0.62 6.28 6.56 -1.89 -2.10 116.57 125.51 1vee h LYS 42 Ca 0.00 -0.04 0.11 0.00 -1.06 0.00 0.00 60.65 59.66 1vee h LYS 42 Cb 0.02 -0.16 -0.08 0.00 -0.57 0.00 0.00 32.23 31.44 1vee h LYS 42 CO 0.00 0.46 0.19 0.78 -2.06 0.00 0.00 179.45 178.82 1vee h GLY 43 N 0.71 0.85 2.00 3.86 0.00 -1.87 0.16 103.07 108.78 1vee h GLY 43 Ca 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 1vee h GLY 43 CO -0.29 -0.07 -0.04 1.41 0.00 0.00 0.00 176.54 177.55 1vee h LEU 44 N 0.34 0.00 -0.03 3.11 3.38 -1.70 -3.45 115.31 116.96 1vee h LEU 44 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1vee h LEU 44 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1vee h LEU 44 CO -0.36 0.04 0.00 0.61 0.09 0.00 0.00 178.44 178.81 1vee n GLY 45 N -1.02 1.11 3.26 0.83 0.00 0.04 -4.84 105.19 104.57 1vee n GLY 45 Ca -0.02 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.28 1.26 -0.03 1.61 -0.14 -1.12 -5.03 119.74 116.01 1vee s LYS 46 Ca 0.00 -1.66 -0.00 0.00 -1.36 0.00 0.00 55.97 52.95 1vee s LYS 46 Cb 0.00 -0.08 0.03 0.00 -1.68 0.00 0.00 37.83 36.10 1vee s LYS 46 CO 0.00 -0.29 0.02 0.21 -0.76 0.00 0.00 175.35 174.54 1vee s LYS 47 N -4.05 0.13 0.71 1.68 2.20 -1.26 -3.30 119.74 115.85 1vee s LYS 47 Ca 0.34 0.17 -0.13 0.00 -0.36 0.00 0.00 55.97 56.00 1vee s LYS 47 Cb 0.07 -0.43 0.02 0.00 -1.51 0.00 0.00 37.83 35.98 1vee s LYS 47 CO 0.10 -0.19 1.10 0.00 -0.36 0.00 0.00 175.35 176.00 1vee s ALA 48 N 1.30 2.40 -0.39 3.13 0.00 -1.26 -4.45 121.76 122.49 1vee s ALA 48 Ca -0.06 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.30 1vee s ALA 48 Cb -0.13 -3.29 0.11 0.00 0.00 0.00 0.00 23.12 19.81 1vee s ALA 48 CO -0.03 -1.46 0.14 0.08 0.00 0.00 0.00 175.76 174.50 1vee s VAL 49 N -2.63 2.79 -0.39 0.00 1.01 0.35 -4.96 120.40 116.57 1vee s VAL 49 Ca 0.64 -2.29 -0.29 0.00 0.00 0.00 0.00 61.98 60.04 1vee s VAL 49 Cb -0.18 -2.97 0.02 0.00 0.00 0.00 0.00 36.38 33.24 1vee s VAL 49 CO 0.48 -0.66 1.16 -0.94 0.00 0.00 0.00 175.10 175.14 1vee s SER 50 N 1.25 6.73 -0.19 3.32 1.04 -1.26 -2.50 113.70 122.09 1vee s SER 50 Ca 0.10 0.82 -0.05 0.00 0.48 0.00 0.00 55.95 57.31 1vee s SER 50 Cb -0.21 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.44 1vee s SER 50 CO -0.06 -1.10 0.14 -0.89 0.98 0.00 0.00 173.24 172.31 1vee s THR 51 N 4.22 -0.18 -0.11 2.02 2.01 -0.82 -4.98 115.64 117.79 1vee s THR 51 Ca 0.49 -0.16 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 1vee s THR 51 Cb -0.11 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.72 1vee s THR 51 CO 0.24 -0.27 1.81 -0.69 -0.69 0.00 0.00 174.62 175.02 1vee s VAL 52 N 2.21 3.39 0.20 3.82 1.01 -1.26 -4.07 120.40 125.70 1vee s VAL 52 Ca 0.04 0.46 -0.29 0.00 0.00 0.00 0.00 61.98 62.19 1vee s VAL 52 Cb -0.16 -3.37 -0.08 0.00 0.00 0.00 0.00 36.38 32.77 1vee s VAL 52 CO -0.11 -0.12 0.91 -0.47 0.00 0.00 0.00 175.10 175.31 1vee s TYR 53 N 5.21 3.94 -0.16 5.22 5.04 -1.06 -4.98 117.35 130.55 1vee s TYR 53 Ca 0.81 1.83 -0.08 0.00 -2.44 0.00 0.00 57.07 57.19 1vee s TYR 53 Cb -0.33 -2.95 0.06 0.00 0.35 0.00 0.00 41.96 39.10 1vee s TYR 53 CO 0.33 0.42 0.38 0.54 -1.34 0.00 0.00 175.55 175.89 1vee s ASN 54 N -0.95 -0.38 0.61 4.32 4.22 -1.26 -4.94 114.94 116.56 1vee s ASN 54 Ca 0.41 0.84 0.36 0.00 -2.14 0.00 0.00 52.86 52.33 1vee s ASN 54 Cb -0.25 0.81 1.98 0.00 1.28 0.00 0.00 41.25 45.07 1vee s ASN 54 CO 0.30 -0.20 2.11 1.23 -2.04 0.00 0.00 177.10 178.50 1vee h GLY 55 N 7.39 0.00 2.00 0.45 0.00 -1.99 -1.63 103.07 109.28 1vee h GLY 55 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1vee h GLY 55 CO 0.27 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.64 1vee h GLU 56 N 0.00 0.00 -2.09 4.80 4.39 -2.02 -3.33 114.58 116.33 1vee h GLU 56 Ca 0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 1vee h GLU 56 Cb 0.22 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.47 1vee h GLU 56 CO 0.00 0.00 -1.01 -0.25 -1.16 0.00 0.00 179.01 176.59 1vee n ASP 57 N -2.66 2.10 0.27 1.42 8.00 -0.61 -4.95 116.55 120.11 1vee n ASP 57 Ca 0.03 -3.24 -0.16 0.00 0.71 0.00 0.00 54.79 52.13 1vee n ASP 57 Cb 0.38 -0.60 -0.08 0.00 -0.02 0.00 0.00 41.12 40.79 1vee n ASP 57 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1vee h LYS 58 N 2.99 -0.61 -0.45 -1.24 1.57 -1.68 0.22 116.57 117.37 1vee h LYS 58 Ca 0.11 0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.82 1vee h LYS 58 Cb 0.81 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1vee h LYS 58 CO 0.61 -0.40 -0.15 -1.00 -0.57 0.00 0.00 179.45 177.93 1vee h PRO 59 N -0.63 0.91 -0.42 3.15 0.13 -1.94 -2.65 132.00 130.54 1vee h PRO 59 Ca -0.06 -0.37 0.10 0.00 -0.87 0.00 0.00 66.00 64.80 1vee h PRO 59 Cb 0.48 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.55 1vee h PRO 59 CO 0.11 1.02 0.30 0.78 -0.23 0.00 0.00 178.00 179.97 1vee h GLY 60 N 0.74 0.14 0.43 1.56 0.00 -1.90 0.55 103.07 104.60 1vee h GLY 60 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1vee h GLY 60 CO 0.05 0.03 -0.20 -2.75 0.00 0.00 0.00 176.54 173.66 1vee h PHE 61 N 0.10 -0.53 -0.76 5.60 3.57 -0.30 -3.20 116.94 121.41 1vee h PHE 61 Ca 0.20 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.86 1vee h PHE 61 Cb 0.65 0.18 -0.12 0.00 2.79 0.00 0.00 35.95 39.44 1vee h PHE 61 CO -0.00 -0.33 0.10 -0.07 -2.23 0.00 0.00 178.31 175.78 1vee h LEU 62 N -1.14 -0.17 -1.67 0.59 3.38 -1.02 0.74 115.31 116.02 1vee h LEU 62 Ca -0.06 0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1vee h LEU 62 Cb 0.44 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1vee h LEU 62 CO 0.10 -0.13 0.25 0.11 0.09 0.00 0.00 178.44 178.85 1vee h LYS 63 N 0.17 0.43 0.00 1.13 1.57 -1.01 -0.53 116.57 118.33 1vee h LYS 63 Ca 0.43 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.15 1vee h LYS 63 Cb 0.78 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1vee h LYS 63 CO -0.61 0.28 -0.18 0.87 -0.57 0.00 0.00 179.45 179.24 1vee h LYS 64 N 0.44 0.00 0.11 3.15 1.57 -0.84 -2.12 116.57 118.89 1vee h LYS 64 Ca 0.14 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.64 1vee h LYS 64 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1vee h LYS 64 CO -0.03 0.18 -1.34 -0.07 -0.57 0.00 0.00 179.45 177.62 1vee h LEU 65 N 0.00 0.37 -1.34 2.94 -0.00 -1.09 -3.32 115.31 112.86 1vee h LEU 65 Ca -0.00 -0.44 0.06 0.00 -0.00 0.00 0.00 57.88 57.50 1vee h LEU 65 Cb 0.60 -0.12 -0.05 0.00 -0.00 0.00 0.00 40.66 41.09 1vee h LEU 65 CO 0.02 1.35 0.49 -1.28 -0.00 0.00 0.00 178.44 179.02 1vee h SER 66 N 0.06 0.71 0.42 -0.43 0.87 -0.69 0.25 113.55 114.74 1vee h SER 66 Ca -0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1vee h SER 66 Cb 1.97 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.78 1vee h SER 66 CO 0.18 0.46 0.00 0.00 -0.53 0.00 0.00 176.83 176.94 1vee n LEU 67 N -4.48 0.00 -0.02 2.23 -0.00 -1.02 -3.67 117.00 110.04 1vee n LEU 67 Ca 0.11 0.29 -0.02 0.00 -0.00 0.00 0.00 56.01 56.39 1vee n LEU 67 Cb 0.20 -0.29 -0.02 0.00 -0.00 0.00 0.00 43.42 43.31 1vee n LEU 67 CO 0.34 -0.08 -0.60 2.29 -0.00 0.00 0.00 177.39 179.34 1vee n LYS 68 N -1.29 2.46 -3.14 1.47 -0.00 -0.29 -4.96 118.16 112.41 1vee n LYS 68 Ca 0.10 0.01 -0.44 0.00 -0.00 0.00 0.00 58.31 57.98 1vee n LYS 68 Cb 0.18 -1.07 -0.06 0.00 -0.00 0.00 0.00 35.03 34.07 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 -2.07 3.04 0.12 5.58 0.08 -0.08 -4.96 117.98 119.68 1vee s PHE 69 Ca -0.03 -0.44 -0.22 0.00 0.12 0.00 0.00 56.93 56.36 1vee s PHE 69 Cb 0.01 -3.53 -0.07 0.00 -0.57 0.00 0.00 43.02 38.86 1vee s PHE 69 CO 0.11 -1.03 1.70 1.57 -0.10 0.00 0.00 175.22 177.47 1vee h LYS 70 N 8.99 -0.12 -2.83 0.44 2.10 -1.89 -3.37 116.57 119.89 1vee h LYS 70 Ca -0.27 0.01 -0.60 0.00 -2.00 0.00 0.00 60.65 57.78 1vee h LYS 70 Cb 1.09 0.03 -0.40 0.00 -0.90 0.00 0.00 32.23 32.05 1vee h LYS 70 CO 0.96 -0.08 -0.77 -0.51 -2.00 0.00 0.00 179.45 177.05 1vee s ASP 71 N -5.10 3.30 0.58 7.07 1.01 -1.26 -4.99 116.67 117.28 1vee s ASP 71 Ca -0.14 -2.88 0.39 0.00 0.71 0.00 0.00 52.55 50.63 1vee s ASP 71 Cb 0.09 -0.94 2.07 0.00 1.01 0.00 0.00 42.92 45.14 1vee s ASP 71 CO 0.67 -0.22 2.19 1.55 0.21 0.00 0.00 175.17 179.57 1vee h PRO 72 N 6.31 0.00 0.00 8.23 0.13 -1.85 -2.99 132.00 141.83 1vee h PRO 72 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1vee h PRO 72 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1vee h PRO 72 CO 0.47 0.00 0.07 1.05 -0.23 0.00 0.00 178.00 179.36 1vee h GLU 73 N 0.00 0.00 0.00 0.86 4.11 -1.91 -1.65 114.58 115.99 1vee h GLU 73 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1vee h GLU 73 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1vee h GLU 73 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 179.01 179.35 1vee n ASN 74 N -2.53 0.68 -4.75 3.06 0.23 -1.13 -4.29 115.26 106.53 1vee n ASN 74 Ca -0.02 -0.89 -0.38 0.00 -0.53 0.00 0.00 54.58 52.76 1vee n ASN 74 Cb 0.11 0.15 -0.06 0.00 -2.08 0.00 0.00 39.78 37.90 1vee n ASN 74 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1vee s THR 75 N -0.15 5.17 0.07 5.53 2.01 -0.67 -4.67 115.64 122.92 1vee s THR 75 Ca 0.00 0.83 0.01 0.00 0.31 0.00 0.00 61.69 62.84 1vee s THR 75 Cb 0.00 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1vee s THR 75 CO 0.00 0.41 0.16 -0.89 -0.69 0.00 0.00 174.62 173.60 1vee s THR 76 N 0.14 5.04 -0.46 -0.82 2.01 -1.26 -1.86 115.64 118.43 1vee s THR 76 Ca 0.23 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.72 1vee s THR 76 Cb -0.15 -3.44 0.13 0.00 0.01 0.00 0.00 72.50 69.04 1vee s THR 76 CO 0.10 0.14 0.22 -0.76 -0.69 0.00 0.00 174.62 173.62 1vee s LEU 77 N -2.45 3.70 -0.63 4.42 1.02 -0.45 -2.96 118.68 121.34 1vee s LEU 77 Ca 0.32 -2.70 -0.27 0.00 0.02 0.00 0.00 54.13 51.50 1vee s LEU 77 Cb -0.13 -1.39 0.00 0.00 0.02 0.00 0.00 46.19 44.69 1vee s LEU 77 CO 0.25 -0.27 1.58 -0.31 0.02 0.00 0.00 176.35 177.62 1vee s TYR 78 N 0.18 2.00 -0.03 0.29 2.02 -1.26 -2.22 117.35 118.32 1vee s TYR 78 Ca 0.16 0.45 -0.26 0.00 -0.37 0.00 0.00 57.07 57.05 1vee s TYR 78 Cb -0.24 -4.33 -0.03 0.00 -0.40 0.00 0.00 41.96 36.96 1vee s TYR 78 CO -0.02 -2.19 0.81 0.42 -1.57 0.00 0.00 175.55 173.00 1vee s ILE 79 N 7.29 4.96 -0.26 2.71 1.01 -0.03 -0.50 121.20 136.38 1vee s ILE 79 Ca 0.54 1.70 0.01 0.00 0.00 0.00 0.00 60.65 62.90 1vee s ILE 79 Cb -0.11 -4.15 0.07 0.00 0.01 0.00 0.00 42.46 38.27 1vee s ILE 79 CO 0.20 0.22 -0.03 -0.22 0.00 0.00 0.00 174.94 175.11 1vee s LEU 80 N 0.84 2.85 0.47 2.97 0.20 -0.26 -1.08 118.68 124.68 1vee s LEU 80 Ca 0.43 -1.35 0.07 0.00 0.69 0.00 0.00 54.13 53.97 1vee s LEU 80 Cb -0.19 -1.23 0.00 0.00 -0.43 0.00 0.00 46.19 44.35 1vee s LEU 80 CO 0.22 -0.27 0.39 -0.62 -0.29 0.00 0.00 176.35 175.79 1vee s ASP 81 N 1.34 4.83 0.11 3.68 -1.08 -1.26 -1.05 116.67 123.24 1vee s ASP 81 Ca -0.03 -0.97 -0.33 0.00 -0.52 0.00 0.00 52.55 50.71 1vee s ASP 81 Cb -0.19 -0.15 -0.12 0.00 -1.46 0.00 0.00 42.92 41.00 1vee s ASP 81 CO -0.08 -0.85 1.57 0.11 0.52 0.00 0.00 175.17 176.44 1vee h LYS 82 N 0.92 -0.69 0.00 4.34 1.57 -1.95 -3.30 116.57 117.45 1vee h LYS 82 Ca -0.39 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1vee h LYS 82 Cb 1.28 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.75 1vee h LYS 82 CO 0.58 -0.46 0.00 1.19 -0.57 0.00 0.00 179.45 180.18 1vee n PHE 83 N -5.48 0.00 -0.16 -1.35 3.01 -1.26 -1.65 117.46 110.57 1vee n PHE 83 Ca -0.08 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.39 1vee n PHE 83 Cb 0.40 0.00 0.27 0.00 -0.01 0.00 0.00 39.48 40.14 1vee n PHE 83 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1vee h ASP 84 N 0.00 0.77 0.00 4.37 3.32 -1.86 -3.27 116.42 119.75 1vee h ASP 84 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1vee h ASP 84 Cb 0.00 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1vee h ASP 84 CO 0.00 0.59 0.00 0.61 -1.72 0.00 0.00 179.24 178.72 1vee n GLY 85 N -1.34 1.36 0.63 2.75 0.00 -1.26 -2.57 105.19 104.76 1vee n GLY 85 Ca 0.06 0.24 0.11 0.00 0.00 0.00 0.00 46.02 46.43 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 1.50 2.29 -0.34 1.61 3.02 -1.26 -4.75 115.26 117.32 1vee n ASN 86 Ca 0.00 -1.64 -0.05 0.00 -0.03 0.00 0.00 54.58 52.86 1vee n ASN 86 Cb 0.00 0.31 -0.01 0.00 -0.61 0.00 0.00 39.78 39.47 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 3.07 -1.59 -0.00 6.41 0.02 -1.84 -0.01 113.55 119.60 1vee h SER 87 Ca 0.00 0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1vee h SER 87 Cb 0.80 0.77 -0.00 0.00 0.14 0.00 0.00 62.40 64.11 1vee h SER 87 CO 0.00 -0.29 0.00 -0.33 -1.14 0.00 0.00 176.83 175.07 1vee h GLU 88 N -0.06 0.00 0.00 3.45 5.08 -1.86 0.59 114.58 121.78 1vee h GLU 88 Ca 0.26 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 1vee h GLU 88 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1vee h GLU 88 CO -0.89 0.00 -0.36 1.25 -1.00 0.00 0.00 179.01 178.01 1vee h LEU 89 N 0.00 0.01 -1.50 1.33 7.12 -1.45 -3.34 115.31 117.49 1vee h LEU 89 Ca 0.00 -0.87 0.10 0.00 0.13 0.00 0.00 57.88 57.24 1vee h LEU 89 Cb 0.00 -0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 40.08 1vee h LEU 89 CO -0.00 1.14 0.46 0.58 -0.13 0.00 0.00 178.44 180.50 1vee h VAL 90 N -0.98 0.92 -0.31 1.05 2.07 -0.65 -0.45 116.25 117.90 1vee h VAL 90 Ca -0.10 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.29 1vee h VAL 90 Cb 1.10 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1vee h VAL 90 CO -0.05 0.10 0.21 0.00 0.02 0.00 0.00 177.57 177.86 1vee h ALA 91 N 1.65 2.09 0.05 1.67 0.00 -1.00 -2.02 119.26 121.69 1vee h ALA 91 Ca 0.32 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.88 1vee h ALA 91 Cb 0.50 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1vee h ALA 91 CO -0.11 -0.16 -2.00 0.39 0.00 0.00 0.00 179.25 177.37 1vee n GLU 92 N -4.48 0.69 0.13 0.00 -0.58 -0.29 -3.78 120.64 112.34 1vee n GLU 92 Ca 0.04 0.23 -0.16 0.00 -0.42 0.00 0.00 57.16 56.84 1vee n GLU 92 Cb 0.27 -1.69 -0.09 0.00 -0.57 0.00 0.00 31.44 29.36 1vee n GLU 92 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1vee h LEU 93 N 0.03 -1.47 -1.13 -4.62 5.85 -0.58 0.68 115.31 114.08 1vee h LEU 93 Ca -0.41 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.47 1vee h LEU 93 Cb 2.04 0.54 -0.04 0.00 0.37 0.00 0.00 40.66 43.56 1vee h LEU 93 CO 0.06 -0.55 0.59 -0.37 -0.34 0.00 0.00 178.44 177.82 1vee h VAL 94 N -0.76 1.23 0.34 1.05 -1.51 -1.61 -2.28 116.25 112.71 1vee h VAL 94 Ca -0.00 -0.42 -0.02 0.00 -1.23 0.00 0.00 66.70 65.03 1vee h VAL 94 Cb 0.75 -0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.84 1vee h VAL 94 CO -0.25 0.22 -0.17 0.00 -1.23 0.00 0.00 177.57 176.14 1vee h ALA 95 N 1.44 -0.46 0.00 5.19 0.00 -1.52 -0.36 119.26 123.55 1vee h ALA 95 Ca 0.33 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1vee h ALA 95 Cb -0.14 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1vee h ALA 95 CO -0.07 -0.71 -0.00 -0.07 0.00 0.00 0.00 179.25 178.40 1vee h LEU 96 N -0.56 0.00 -0.39 0.00 -0.00 -0.72 -1.07 115.31 112.56 1vee h LEU 96 Ca -0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.76 1vee h LEU 96 Cb 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.07 1vee h LEU 96 CO 0.08 0.00 -0.37 0.78 -0.00 0.00 0.00 178.44 178.93 1vee h ASN 97 N 0.00 0.00 0.00 -0.43 2.35 -1.05 -3.47 115.58 112.98 1vee h ASN 97 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1vee h ASN 97 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1vee h ASN 97 CO 0.00 0.37 0.00 0.61 -1.65 0.00 0.00 177.43 176.76 1vee n GLY 98 N 0.83 -0.70 3.79 2.83 0.00 -0.41 -5.10 105.19 106.43 1vee n GLY 98 Ca 0.01 0.00 -0.34 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 -0.18 2.88 0.09 1.61 0.08 -0.19 -3.39 117.98 118.87 1vee s PHE 99 Ca 0.00 1.56 -0.27 0.00 0.12 0.00 0.00 56.93 58.34 1vee s PHE 99 Cb 0.00 -3.13 -0.15 0.00 -0.57 0.00 0.00 43.02 39.17 1vee s PHE 99 CO 0.00 -1.12 1.69 -0.22 -0.10 0.00 0.00 175.22 175.47 1vee h LYS 100 N 1.29 -0.36 -2.63 0.44 1.63 -0.78 -3.39 116.57 112.77 1vee h LYS 100 Ca -0.49 0.02 0.12 0.00 -0.85 0.00 0.00 60.65 59.45 1vee h LYS 100 Cb 1.23 0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.91 1vee h LYS 100 CO 0.58 -0.24 0.47 -1.12 -3.45 0.00 0.00 179.45 175.69 1vee s SER 101 N -4.87 -0.05 0.17 4.20 0.01 -1.25 -5.00 113.70 106.90 1vee s SER 101 Ca -0.15 -0.73 -0.16 0.00 1.31 0.00 0.00 55.95 56.23 1vee s SER 101 Cb 0.06 0.59 0.02 0.00 0.21 0.00 0.00 66.02 66.91 1vee s SER 101 CO 0.65 -1.16 0.45 0.00 0.41 0.00 0.00 173.24 173.59 1vee s ALA 102 N -2.54 -0.80 -0.17 1.44 0.00 -1.26 -1.33 121.76 117.09 1vee s ALA 102 Ca 0.18 -0.27 -0.04 0.00 0.00 0.00 0.00 51.96 51.83 1vee s ALA 102 Cb -0.03 0.81 0.09 0.00 0.00 0.00 0.00 23.12 23.98 1vee s ALA 102 CO 0.06 -0.73 0.27 0.71 0.00 0.00 0.00 175.76 176.06 1vee s TYR 103 N -3.87 -0.43 -0.34 0.00 1.51 -0.94 -4.68 117.35 108.59 1vee s TYR 103 Ca 0.09 0.67 -0.29 0.00 -1.01 0.00 0.00 57.07 56.53 1vee s TYR 103 Cb 0.00 -0.15 0.01 0.00 -0.11 0.00 0.00 41.96 41.71 1vee s TYR 103 CO -0.05 -0.50 1.25 0.00 -1.11 0.00 0.00 175.55 175.14 1vee s ALA 104 N 2.40 3.32 -0.58 3.71 0.00 0.44 -0.85 121.76 130.19 1vee s ALA 104 Ca 0.05 -0.05 -0.27 0.00 0.00 0.00 0.00 51.96 51.70 1vee s ALA 104 Cb -0.14 -3.80 -0.01 0.00 0.00 0.00 0.00 23.12 19.17 1vee s ALA 104 CO -0.11 -1.87 1.78 0.42 0.00 0.00 0.00 175.76 175.98 1vee s ILE 105 N 4.39 3.43 0.63 0.00 1.09 -0.24 -2.57 121.20 127.94 1vee s ILE 105 Ca 0.54 0.29 -0.18 0.00 -1.10 0.00 0.00 60.65 60.20 1vee s ILE 105 Cb -0.14 -4.01 -0.02 0.00 -1.06 0.00 0.00 42.46 37.24 1vee s ILE 105 CO 0.24 -0.93 1.25 -0.75 -0.10 0.00 0.00 174.94 174.65 1vee s LYS 106 N 6.66 2.68 0.00 2.79 2.36 -1.24 -2.56 119.74 130.44 1vee s LYS 106 Ca 0.65 1.93 0.00 0.00 -2.55 0.00 0.00 55.97 56.00 1vee s LYS 106 Cb -0.13 -1.88 0.00 0.00 -1.05 0.00 0.00 37.83 34.77 1vee s LYS 106 CO 0.22 -1.46 0.00 -0.25 1.55 0.00 0.00 175.35 175.41 1vee n ASP 107 N -1.87 -2.89 0.00 1.43 9.92 -1.26 -4.45 116.55 117.43 1vee n ASP 107 Ca 0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 1vee n ASP 107 Cb 0.49 -1.53 0.00 0.00 -0.64 0.00 0.00 41.12 39.44 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 -1.54 2.93 0.00 0.44 0.00 -1.06 -2.78 105.19 103.18 1vee n GLY 108 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 8.79 1.73 0.04 4.61 0.00 -0.66 -1.96 120.51 133.07 1vee n ALA 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vee n ALA 109 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -6.80 0.00 5.08 -1.69 -3.25 114.58 107.93 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 0.00 0.00 0.23 0.00 0.50 0.00 0.00 28.75 29.48 1vee h GLU 110 CO 0.00 0.30 -0.76 0.41 -1.00 0.00 0.00 179.01 177.96 1vee n GLY 111 N 1.37 -2.43 0.26 -3.84 0.00 -1.12 -4.85 105.19 94.59 1vee n GLY 111 Ca -0.08 -0.93 0.14 0.00 0.00 0.00 0.00 46.02 45.15 1vee n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vee h PRO 112 N -2.33 0.00 0.00 1.61 0.13 -1.94 -2.72 132.00 126.75 1vee h PRO 112 Ca -0.56 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1vee h PRO 112 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1vee h PRO 112 CO 0.41 0.10 -0.05 -2.13 -0.23 0.00 0.00 178.00 176.11 1vee n ARG 113 N -3.31 1.73 -0.84 0.86 3.00 -1.26 -4.77 116.66 112.07 1vee n ARG 113 Ca -0.00 -1.65 -0.24 0.00 -0.00 0.00 0.00 57.85 55.96 1vee n ARG 113 Cb 0.32 -1.03 0.20 0.00 0.00 0.00 0.00 32.46 31.95 1vee n ARG 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vee n GLY 114 N -0.67 -2.71 0.30 5.14 0.00 -1.03 -4.64 105.19 101.58 1vee n GLY 114 Ca 0.05 -1.49 -0.06 0.00 0.00 0.00 0.00 46.02 44.52 1vee n GLY 114 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1vee h TRP 115 N -2.50 -0.73 0.00 1.61 2.91 -1.52 -2.06 115.95 113.66 1vee h TRP 115 Ca -0.33 0.05 0.01 0.00 1.13 0.00 0.00 58.89 59.75 1vee h TRP 115 Cb 1.02 0.38 -0.02 0.00 -0.51 0.00 0.00 29.16 30.03 1vee h TRP 115 CO 0.00 -0.34 -0.08 -0.07 -1.03 0.00 0.00 178.44 176.92 1vee h LEU 116 N -0.20 -0.22 -2.54 0.65 3.38 -1.81 -2.64 115.31 111.93 1vee h LEU 116 Ca 0.19 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 1vee h LEU 116 Cb 0.50 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1vee h LEU 116 CO -0.52 -0.12 0.13 0.59 0.09 0.00 0.00 178.44 178.61 1vee n ASN 117 N -5.20 3.70 -0.05 -0.43 3.02 -0.97 -3.30 115.26 112.03 1vee n ASN 117 Ca -0.06 -2.37 0.01 0.00 -0.03 0.00 0.00 54.58 52.14 1vee n ASN 117 Cb 0.13 -0.68 0.02 0.00 -0.61 0.00 0.00 39.78 38.64 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 0.39 1.40 -2.05 6.41 7.64 -0.81 -4.43 113.62 122.16 1vee n SER 118 Ca 0.11 -1.91 -0.19 0.00 1.01 0.00 0.00 58.87 57.89 1vee n SER 118 Cb 0.67 -0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.78 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 -0.48 -5.44 -4.70 6.43 2.88 -1.21 -4.82 113.62 106.29 1vee n SER 119 Ca 0.02 0.05 -0.35 0.00 -1.33 0.00 0.00 58.87 57.27 1vee n SER 119 Cb 0.40 -4.50 -0.09 0.00 -0.75 0.00 0.00 64.21 59.27 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 -5.27 3.69 0.70 2.46 1.43 -1.23 -5.10 118.68 115.35 1vee s LEU 120 Ca 0.00 0.17 -0.13 0.00 -1.03 0.00 0.00 54.13 53.14 1vee s LEU 120 Cb 0.00 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1vee s LEU 120 CO 0.00 0.36 1.09 -2.16 0.23 0.00 0.00 176.35 175.87 1vee s PRO 121 N -0.74 2.67 -0.02 1.29 0.04 -1.26 -4.60 135.00 132.38 1vee s PRO 121 Ca 0.12 1.25 -0.28 0.00 0.04 0.00 0.00 61.00 62.13 1vee s PRO 121 Cb -0.12 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.54 1vee s PRO 121 CO 0.02 -1.33 0.61 -0.46 0.04 0.00 0.00 177.00 175.89 1vee s TRP 122 N -2.62 -0.57 -0.89 0.56 -0.11 -1.26 -4.33 118.94 109.72 1vee s TRP 122 Ca 0.64 0.90 -0.14 0.00 1.22 0.00 0.00 56.10 58.71 1vee s TRP 122 Cb -0.18 0.38 0.21 0.00 -1.50 0.00 0.00 33.47 32.38 1vee s TRP 122 CO 0.47 -0.61 0.88 0.42 -4.62 0.00 0.00 176.95 173.50 1vee s ILE 123 N -1.54 5.51 0.56 5.86 1.01 -0.48 -4.95 121.20 127.18 1vee s ILE 123 Ca -0.10 -2.46 -0.17 0.00 0.00 0.00 0.00 60.65 57.93 1vee s ILE 123 Cb -0.01 -4.55 -0.05 0.00 0.01 0.00 0.00 42.46 37.86 1vee s ILE 123 CO 0.06 -1.14 1.04 -1.61 0.00 0.00 0.00 174.94 173.29 1vee s GLU 124 N 0.42 3.54 0.98 2.79 2.02 -1.26 -2.41 118.70 124.78 1vee s GLU 124 Ca 0.22 1.17 -0.15 0.00 0.02 0.00 0.00 54.97 56.24 1vee s GLU 124 Cb -0.09 -2.07 0.18 0.00 0.10 0.00 0.00 34.13 32.26 1vee s GLU 124 CO -0.09 -0.63 1.17 -1.25 0.02 0.00 0.00 175.26 174.49 1vee s PRO 125 N -3.95 0.53 0.53 0.39 0.04 -1.26 -4.91 135.00 126.37 1vee s PRO 125 Ca 0.63 0.06 0.19 0.00 0.04 0.00 0.00 61.00 61.92 1vee s PRO 125 Cb -0.15 -1.79 1.35 0.00 0.04 0.00 0.00 34.50 33.96 1vee s PRO 125 CO 0.33 -2.56 2.14 0.87 0.04 0.00 0.00 177.00 177.82 1vee h LYS 126 N -1.76 0.00 -6.35 4.56 1.57 -1.96 -3.41 116.57 109.23 1vee h LYS 126 Ca -0.48 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.73 1vee h LYS 126 Cb 1.30 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.56 1vee h LYS 126 CO 0.51 0.00 0.94 0.15 -0.57 0.00 0.00 179.45 180.48 1vee s LYS 127 N -5.01 3.95 0.03 3.15 -0.14 -1.26 -5.03 119.74 115.43 1vee s LYS 127 Ca -0.05 1.20 -0.25 0.00 -1.36 0.00 0.00 55.97 55.51 1vee s LYS 127 Cb 0.17 -3.85 -0.05 0.00 -1.68 0.00 0.00 37.83 32.42 1vee s LYS 127 CO 0.66 -1.07 0.78 0.99 -0.76 0.00 0.00 175.35 175.95 1vee s THR 128 N 4.19 4.78 -0.25 2.17 2.01 -1.26 -5.00 115.64 122.28 1vee s THR 128 Ca 0.54 1.65 -0.26 0.00 0.31 0.00 0.00 61.69 63.92 1vee s THR 128 Cb -0.16 -4.13 0.11 0.00 0.01 0.00 0.00 72.50 68.34 1vee s THR 128 CO 0.21 0.33 0.93 -0.55 -0.69 0.00 0.00 174.62 174.86 1vee s SER 129 N 0.15 -0.53 -0.24 3.53 0.15 -1.26 -5.17 113.70 110.33 1vee s SER 129 Ca 0.40 0.96 -0.08 0.00 0.70 0.00 0.00 55.95 57.92 1vee s SER 129 Cb -0.20 0.95 0.11 0.00 -1.71 0.00 0.00 66.02 65.16 1vee s SER 129 CO 0.23 -0.22 0.52 -0.83 1.20 0.00 0.00 173.24 174.14 1vee s GLY 130 N 0.05 -0.52 1.07 9.45 0.00 -1.26 -5.11 107.32 111.01 1vee s GLY 130 Ca 0.01 1.87 -0.13 0.00 0.00 0.00 0.00 44.72 46.47 1vee s GLY 130 CO -0.03 2.66 1.07 2.56 0.00 0.00 0.00 173.10 179.36 1vee s PRO 131 N 2.68 -0.16 -0.81 2.90 0.04 -1.26 -4.92 135.00 133.48 1vee s PRO 131 Ca -0.04 0.62 -0.26 0.00 0.04 0.00 0.00 61.00 61.37 1vee s PRO 131 Cb -0.12 -1.66 0.02 0.00 0.04 0.00 0.00 34.50 32.78 1vee s PRO 131 CO -0.15 -3.16 1.50 -1.12 0.04 0.00 0.00 177.00 174.11 1vee s SER 132 N -3.09 5.97 -0.05 6.66 0.01 -1.26 -4.93 113.70 117.01 1vee s SER 132 Ca 0.67 -0.58 -0.08 0.00 1.31 0.00 0.00 55.95 57.26 1vee s SER 132 Cb -0.21 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.48 1vee s SER 132 CO 0.60 -1.95 0.20 -0.55 0.41 0.00 0.00 173.24 171.95 1vee s SER 133 N 5.34 -0.14 0.00 2.44 0.15 -1.26 -5.28 113.70 114.95 1vee s SER 133 Ca 0.48 0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.32 1vee s SER 133 Cb -0.07 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1vee s SER 133 CO 0.08 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.92