#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 0.55 -2.48 1.61 7.64 -1.26 -5.04 113.62 114.64 1vee n SER 2 Ca 0.00 0.10 -0.19 0.00 1.01 0.00 0.00 58.87 59.79 1vee n SER 2 Cb 0.00 -0.14 -0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1vee n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1vee n SER 3 N -3.26 -5.43 0.00 6.43 7.64 -1.26 -4.67 113.62 113.08 1vee n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1vee n SER 3 Cb 0.20 -4.52 0.00 0.00 -1.01 0.00 0.00 64.21 58.88 1vee n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vee n GLY 4 N -1.02 -0.51 3.52 0.23 0.00 -1.26 -5.03 105.19 101.12 1vee n GLY 4 Ca -0.21 0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1vee n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vee s SER 5 N 0.00 6.70 0.14 1.61 0.15 -1.26 -4.99 113.70 116.04 1vee s SER 5 Ca 0.00 -2.07 0.08 0.00 0.70 0.00 0.00 55.95 54.66 1vee s SER 5 Cb 0.00 -2.50 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 1vee s SER 5 CO 0.00 -1.19 -0.10 -0.94 1.20 0.00 0.00 173.24 172.21 1vee s SER 6 N 4.10 4.34 0.00 5.45 1.04 -1.26 -1.06 113.70 126.31 1vee s SER 6 Ca 0.43 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1vee s SER 6 Cb -0.01 -0.79 0.00 0.00 0.10 0.00 0.00 66.02 65.32 1vee s SER 6 CO -0.05 0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.93 1vee n GLY 7 N 0.43 1.08 3.64 7.32 0.00 -1.07 -4.96 105.19 111.62 1vee n GLY 7 Ca -0.12 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 1.52 -0.41 0.18 1.61 0.01 -1.26 -4.07 113.70 111.27 1vee s SER 8 Ca 0.00 -0.30 -0.14 0.00 1.31 0.00 0.00 55.95 56.82 1vee s SER 8 Cb 0.00 0.66 0.07 0.00 0.21 0.00 0.00 66.02 66.96 1vee s SER 8 CO 0.00 -1.15 1.83 0.00 0.41 0.00 0.00 173.24 174.33 1vee h ALA 9 N 2.00 0.69 -0.33 1.44 0.00 -1.77 -2.50 119.26 118.79 1vee h ALA 9 Ca -0.27 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.65 1vee h ALA 9 Cb 1.28 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1vee h ALA 9 CO 0.31 0.15 0.02 0.87 0.00 0.00 0.00 179.25 180.60 1vee h LYS 10 N 0.74 0.12 -0.21 0.00 1.57 -1.86 -0.68 116.57 116.24 1vee h LYS 10 Ca 0.20 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.02 1vee h LYS 10 Cb -0.07 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 1vee h LYS 10 CO -0.04 0.08 -0.06 -0.97 -0.57 0.00 0.00 179.45 177.89 1vee h ASN 11 N 0.12 -0.22 -0.32 0.86 -0.00 -1.92 -0.33 115.58 113.78 1vee h ASN 11 Ca 0.16 0.07 0.03 0.00 -0.00 0.00 0.00 56.30 56.56 1vee h ASN 11 Cb 0.20 0.14 -0.03 0.00 -0.00 0.00 0.00 38.32 38.63 1vee h ASN 11 CO -0.24 -0.08 0.12 0.00 -0.00 0.00 0.00 177.43 177.23 1vee h ALA 12 N 1.20 0.37 -0.68 1.57 0.00 -0.96 -1.27 119.26 119.49 1vee h ALA 12 Ca 0.10 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1vee h ALA 12 Cb 0.17 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1vee h ALA 12 CO -0.23 -0.27 0.44 -0.92 0.00 0.00 0.00 179.25 178.27 1vee h TYR 13 N 0.27 0.83 -0.53 0.00 5.03 -0.57 0.22 116.97 122.22 1vee h TYR 13 Ca 0.14 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.49 1vee h TYR 13 Cb 0.09 -0.28 -0.03 0.00 1.55 0.00 0.00 36.73 38.06 1vee h TYR 13 CO -0.13 0.50 0.32 1.15 -1.32 0.00 0.00 178.16 178.69 1vee h THR 14 N 0.88 1.07 -0.54 1.81 2.02 -0.61 -0.43 112.91 117.11 1vee h THR 14 Ca 0.26 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 67.16 1vee h THR 14 Cb -0.05 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 1vee h THR 14 CO -0.08 0.12 0.10 0.11 0.37 0.00 0.00 175.52 176.14 1vee h LYS 15 N 0.65 0.89 -0.84 6.66 1.79 -0.55 -2.65 116.57 122.50 1vee h LYS 15 Ca 0.21 -0.23 0.06 0.00 -2.18 0.00 0.00 60.65 58.51 1vee h LYS 15 Cb 0.01 -0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 30.49 1vee h LYS 15 CO -0.09 0.86 0.52 -0.07 -1.08 0.00 0.00 179.45 179.59 1vee h LEU 16 N 0.78 0.83 -0.47 2.94 3.38 -0.37 0.77 115.31 123.16 1vee h LEU 16 Ca 0.17 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1vee h LEU 16 Cb 0.39 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1vee h LEU 16 CO 0.01 0.53 0.00 0.61 0.09 0.00 0.00 178.44 179.68 1vee n GLY 17 N -1.33 -1.37 0.00 0.83 0.00 -0.22 -3.38 105.19 99.72 1vee n GLY 17 Ca 0.12 0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.19 0.00 -3.78 2.61 5.66 -0.80 -4.88 114.28 110.90 1vee n THR 18 Ca 0.03 -0.30 -0.36 0.00 -3.05 0.00 0.00 64.05 60.37 1vee n THR 18 Cb 0.28 0.81 -0.12 0.00 -1.55 0.00 0.00 70.33 69.75 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 -1.83 5.24 0.59 1.09 2.15 0.20 -4.96 116.67 119.15 1vee s ASP 19 Ca 0.01 -2.06 0.28 0.00 0.43 0.00 0.00 52.55 51.22 1vee s ASP 19 Cb 0.04 -1.82 1.61 0.00 -0.30 0.00 0.00 42.92 42.44 1vee s ASP 19 CO 0.21 -0.54 2.06 -0.78 -0.17 0.00 0.00 175.17 175.95 1vee h ASP 20 N 8.01 0.00 0.20 -0.34 3.58 -1.87 -0.20 116.42 125.81 1vee h ASP 20 Ca -0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.33 1vee h ASP 20 Cb 1.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.09 1vee h ASP 20 CO 0.69 0.00 -0.19 0.59 -2.88 0.00 0.00 179.24 177.46 1vee n ASN 21 N -3.81 1.03 -4.85 2.28 3.02 -1.26 -4.91 115.26 106.76 1vee n ASN 21 Ca 0.03 -0.97 -0.32 0.00 -0.03 0.00 0.00 54.58 53.29 1vee n ASN 21 Cb 0.40 0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 39.59 1vee n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vee s ALA 22 N -2.40 3.38 0.28 5.41 0.00 -0.09 -2.16 121.76 126.19 1vee s ALA 22 Ca 0.28 -0.03 -0.04 0.00 0.00 0.00 0.00 51.96 52.17 1vee s ALA 22 Cb 0.20 -2.69 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 1vee s ALA 22 CO 0.48 0.38 0.36 -0.65 0.00 0.00 0.00 175.76 176.32 1vee s GLN 23 N -2.92 1.61 0.01 0.00 -1.52 -0.67 -4.91 119.66 111.26 1vee s GLN 23 Ca 0.52 -1.62 0.04 0.00 -1.95 0.00 0.00 55.36 52.35 1vee s GLN 23 Cb -0.11 0.39 -0.03 0.00 -0.22 0.00 0.00 33.01 33.04 1vee s GLN 23 CO 0.18 -0.63 -0.08 -1.17 -0.25 0.00 0.00 175.29 173.35 1vee s LEU 24 N -3.18 3.12 -0.26 2.90 2.96 -1.26 -2.13 118.68 120.82 1vee s LEU 24 Ca 0.32 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 1vee s LEU 24 Cb 0.02 -1.79 0.07 0.00 0.50 0.00 0.00 46.19 44.98 1vee s LEU 24 CO 0.16 0.28 -0.08 -0.22 -1.32 0.00 0.00 176.35 175.17 1vee s LEU 25 N -1.44 3.40 -0.46 -0.68 2.96 0.59 -1.36 118.68 121.68 1vee s LEU 25 Ca 0.17 -1.44 -0.24 0.00 -0.22 0.00 0.00 54.13 52.39 1vee s LEU 25 Cb -0.11 -1.47 0.03 0.00 0.50 0.00 0.00 46.19 45.13 1vee s LEU 25 CO 0.07 -0.22 0.87 -1.81 -1.32 0.00 0.00 176.35 173.94 1vee s ASP 26 N 1.15 6.46 0.00 3.68 1.01 0.08 -0.66 116.67 128.39 1vee s ASP 26 Ca -0.06 0.00 0.21 0.00 0.71 0.00 0.00 52.55 53.42 1vee s ASP 26 Cb -0.20 -2.42 0.27 0.00 1.01 0.00 0.00 42.92 41.58 1vee s ASP 26 CO -0.06 -1.01 1.25 2.30 0.21 0.00 0.00 175.17 177.87 1vee n ILE 27 N 6.30 0.23 0.00 0.77 -5.35 -0.48 -1.52 119.36 119.32 1vee n ILE 27 Ca 0.04 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 61.91 1vee n ILE 27 Cb 0.48 1.23 0.00 0.00 -1.74 0.00 0.00 39.64 39.62 1vee n ILE 27 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1vee n ARG 28 N 1.27 0.00 -3.64 6.28 1.74 -1.26 -2.58 116.66 118.47 1vee n ARG 28 Ca 0.15 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.17 1vee n ARG 28 Cb 0.55 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.92 1vee n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vee s ALA 29 N -2.89 -2.00 0.46 7.54 0.00 -1.26 -4.64 121.76 118.98 1vee s ALA 29 Ca 0.00 2.36 0.31 0.00 0.00 0.00 0.00 51.96 54.63 1vee s ALA 29 Cb 0.00 -1.51 1.41 0.00 0.00 0.00 0.00 23.12 23.02 1vee s ALA 29 CO 0.00 -0.37 1.68 1.15 0.00 0.00 0.00 175.76 178.22 1vee h THR 30 N 5.00 0.26 0.08 0.00 2.02 -1.97 0.34 112.91 118.63 1vee h THR 30 Ca -0.29 -0.05 -0.25 0.00 0.77 0.00 0.00 66.41 66.59 1vee h THR 30 Cb 1.22 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1vee h THR 30 CO 0.17 0.02 -1.12 0.00 0.37 0.00 0.00 175.52 174.97 1vee h ALA 31 N 1.50 0.22 0.00 6.16 0.00 -2.01 -3.21 119.26 121.93 1vee h ALA 31 Ca 0.74 -0.84 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1vee h ALA 31 Cb 2.40 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 20.17 1vee h ALA 31 CO -0.27 0.97 -0.05 -0.44 0.00 0.00 0.00 179.25 179.46 1vee h ASP 32 N 0.10 0.00 0.32 0.00 5.19 -1.33 -0.47 116.42 120.23 1vee h ASP 32 Ca -0.10 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1vee h ASP 32 Cb 1.82 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.33 1vee h ASP 32 CO 0.18 0.05 -0.01 -0.26 -3.12 0.00 0.00 179.24 176.08 1vee h PHE 33 N 0.00 0.00 0.00 4.55 -1.00 -1.53 0.35 116.94 119.31 1vee h PHE 33 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1vee h PHE 33 Cb 0.09 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.65 1vee h PHE 33 CO 0.00 0.01 -1.19 0.54 -1.61 0.00 0.00 178.31 176.06 1vee n ARG 34 N -3.17 0.61 -0.06 1.51 5.12 -0.21 -3.25 116.66 117.21 1vee n ARG 34 Ca -0.02 0.06 -0.06 0.00 -1.93 0.00 0.00 57.85 55.90 1vee n ARG 34 Cb 0.15 -1.77 -0.02 0.00 -1.16 0.00 0.00 32.46 29.66 1vee n ARG 34 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1vee n GLN 35 N -2.59 0.38 0.04 5.56 6.02 -0.05 -4.77 117.38 121.97 1vee n GLN 35 Ca -0.01 0.17 -0.20 0.00 -0.01 0.00 0.00 57.00 56.94 1vee n GLN 35 Cb 0.55 -1.18 -0.14 0.00 1.02 0.00 0.00 30.24 30.49 1vee n GLN 35 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1vee h VAL 36 N -0.71 0.87 0.00 5.09 3.04 -0.65 -3.41 116.25 120.47 1vee h VAL 36 Ca 0.00 -2.52 0.00 0.00 -1.01 0.00 0.00 66.70 63.17 1vee h VAL 36 Cb 0.70 2.66 0.00 0.00 -2.01 0.00 0.00 31.29 32.64 1vee h VAL 36 CO 0.00 0.84 0.00 0.61 -1.01 0.00 0.00 177.57 178.01 1vee n GLY 37 N 1.85 -0.02 3.11 3.17 0.00 -1.05 -4.20 105.19 108.05 1vee n GLY 37 Ca -0.25 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 43.70 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 0.18 0.89 1.61 1.04 -1.06 -4.30 113.70 108.06 1vee s SER 38 Ca 0.00 -0.53 -0.14 0.00 0.48 0.00 0.00 55.95 55.76 1vee s SER 38 Cb 0.00 0.22 0.13 0.00 0.10 0.00 0.00 66.02 66.47 1vee s SER 38 CO 0.00 -0.50 1.21 -2.16 0.98 0.00 0.00 173.24 172.77 1vee s PRO 39 N -2.55 1.31 -0.17 4.02 0.04 -1.26 -1.17 135.00 135.22 1vee s PRO 39 Ca -0.05 -0.02 -0.02 0.00 0.04 0.00 0.00 61.00 60.95 1vee s PRO 39 Cb -0.01 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.69 1vee s PRO 39 CO -0.04 -2.02 -0.00 1.21 0.04 0.00 0.00 177.00 176.18 1vee s ASN 40 N -4.55 2.77 -0.10 6.66 2.47 -1.26 -4.67 114.94 116.26 1vee s ASN 40 Ca 0.66 -0.69 0.17 0.00 0.42 0.00 0.00 52.86 53.42 1vee s ASN 40 Cb -0.09 -0.72 0.64 0.00 -1.45 0.00 0.00 41.25 39.62 1vee s ASN 40 CO 0.51 -0.24 1.55 2.30 -3.72 0.00 0.00 177.10 177.50 1vee n ILE 41 N 4.98 1.73 0.26 -5.21 -5.35 -1.26 -4.50 119.36 110.00 1vee n ILE 41 Ca -0.10 -1.25 0.17 0.00 -0.27 0.00 0.00 62.75 61.30 1vee n ILE 41 Cb 0.47 0.15 0.87 0.00 -1.74 0.00 0.00 39.64 39.40 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 3.53 0.00 0.00 6.28 6.56 -1.93 -1.53 116.57 129.48 1vee h LYS 42 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1vee h LYS 42 Cb 1.33 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.99 1vee h LYS 42 CO 0.19 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.99 1vee n GLY 43 N -1.07 -0.67 0.01 3.86 0.00 -1.26 -1.08 105.19 104.97 1vee n GLY 43 Ca -0.02 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 45.98 1vee n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vee n LEU 44 N -1.34 0.00 0.00 0.99 4.77 -0.58 -5.02 117.00 115.82 1vee n LEU 44 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1vee n LEU 44 Cb 0.09 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1vee n LEU 44 CO 0.08 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1vee n GLY 45 N 2.17 1.26 3.82 -0.72 0.00 -0.24 -5.06 105.19 106.42 1vee n GLY 45 Ca -0.04 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.22 2.22 -0.18 1.61 -0.14 -1.19 -4.98 119.74 115.87 1vee s LYS 46 Ca 0.00 -2.29 -0.16 0.00 -1.36 0.00 0.00 55.97 52.16 1vee s LYS 46 Cb 0.00 -1.71 0.05 0.00 -1.68 0.00 0.00 37.83 34.48 1vee s LYS 46 CO 0.00 -0.47 0.47 -1.59 -0.76 0.00 0.00 175.35 173.00 1vee s LYS 47 N -4.02 0.53 0.84 1.68 0.00 -1.26 -3.21 119.74 114.30 1vee s LYS 47 Ca 0.14 0.68 -0.12 0.00 0.00 0.00 0.00 55.97 56.66 1vee s LYS 47 Cb -0.00 0.23 0.10 0.00 0.00 0.00 0.00 37.83 38.17 1vee s LYS 47 CO 0.08 -0.08 1.19 0.00 0.00 0.00 0.00 175.35 176.54 1vee s ALA 48 N 0.39 2.45 -0.03 0.59 0.00 -1.26 -4.38 121.76 119.52 1vee s ALA 48 Ca -0.01 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1vee s ALA 48 Cb -0.04 -2.95 0.01 0.00 0.00 0.00 0.00 23.12 20.14 1vee s ALA 48 CO -0.01 -1.87 -0.07 0.08 0.00 0.00 0.00 175.76 173.89 1vee s VAL 49 N -3.55 0.70 -0.23 0.00 1.01 -0.47 -4.95 120.40 112.91 1vee s VAL 49 Ca 0.63 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 62.27 1vee s VAL 49 Cb -0.11 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 1vee s VAL 49 CO 0.50 0.24 0.05 -0.44 0.00 0.00 0.00 175.10 175.44 1vee s SER 50 N 0.43 5.09 -0.28 3.32 0.01 -1.26 -0.74 113.70 120.28 1vee s SER 50 Ca -0.06 -0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.03 1vee s SER 50 Cb -0.11 -1.90 0.15 0.00 0.21 0.00 0.00 66.02 64.38 1vee s SER 50 CO 0.01 0.02 0.41 -0.89 0.41 0.00 0.00 173.24 173.19 1vee s THR 51 N 1.28 -0.64 0.15 1.44 2.01 -0.57 -4.97 115.64 114.33 1vee s THR 51 Ca 0.04 -0.23 -0.31 0.00 0.31 0.00 0.00 61.69 61.50 1vee s THR 51 Cb -0.15 -0.94 -0.10 0.00 0.01 0.00 0.00 72.50 71.32 1vee s THR 51 CO 0.03 -0.23 1.73 0.54 -0.69 0.00 0.00 174.62 175.99 1vee s VAL 52 N 2.55 2.48 0.44 3.82 0.11 -1.26 -4.16 120.40 124.39 1vee s VAL 52 Ca 0.11 0.18 -0.18 0.00 -2.93 0.00 0.00 61.98 59.15 1vee s VAL 52 Cb -0.13 -3.11 -0.09 0.00 -1.53 0.00 0.00 36.38 31.51 1vee s VAL 52 CO -0.26 0.01 0.91 -0.47 -3.33 0.00 0.00 175.10 171.96 1vee s TYR 53 N 2.01 3.38 -0.25 1.54 5.04 -1.07 -4.96 117.35 123.05 1vee s TYR 53 Ca 0.76 1.46 -0.15 0.00 -2.44 0.00 0.00 57.07 56.70 1vee s TYR 53 Cb -0.46 -2.75 0.07 0.00 0.35 0.00 0.00 41.96 39.18 1vee s TYR 53 CO 0.34 -0.16 0.62 1.21 -1.34 0.00 0.00 175.55 176.22 1vee s ASN 54 N -2.56 -0.82 0.48 4.32 3.84 -1.26 -5.01 114.94 113.92 1vee s ASN 54 Ca 0.59 1.35 0.15 0.00 0.21 0.00 0.00 52.86 55.16 1vee s ASN 54 Cb -0.10 1.24 1.14 0.00 -0.55 0.00 0.00 41.25 42.98 1vee s ASN 54 CO 0.21 -0.23 2.06 1.23 -2.79 0.00 0.00 177.10 177.58 1vee h GLY 55 N 6.79 0.28 0.09 1.21 0.00 -1.99 -0.83 103.07 108.61 1vee h GLY 55 Ca -0.31 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1vee h GLY 55 CO 0.18 0.07 -0.02 1.18 0.00 0.00 0.00 176.54 177.96 1vee n GLU 56 N -4.48 1.37 -0.70 4.80 -0.58 -1.26 -3.67 120.64 116.12 1vee n GLU 56 Ca 0.04 -0.61 0.05 0.00 -0.42 0.00 0.00 57.16 56.22 1vee n GLU 56 Cb 0.24 -1.49 0.10 0.00 -0.57 0.00 0.00 31.44 29.72 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 -0.28 1.30 -0.07 1.62 2.03 -0.37 -4.90 116.55 115.89 1vee n ASP 57 Ca 0.20 -2.80 -0.11 0.00 0.52 0.00 0.00 54.79 52.59 1vee n ASP 57 Cb 0.28 -0.38 -0.06 0.00 -0.72 0.00 0.00 41.12 40.24 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 0.56 -0.39 -0.55 -0.67 1.57 -1.50 0.11 116.57 115.70 1vee h LYS 58 Ca -0.06 0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1vee h LYS 58 Cb 1.33 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.71 1vee h LYS 58 CO 0.03 -0.26 -0.01 -1.00 -0.57 0.00 0.00 179.45 177.64 1vee h PRO 59 N -0.41 0.97 0.00 3.15 0.13 -1.90 -2.50 132.00 131.44 1vee h PRO 59 Ca 0.10 -0.31 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 1vee h PRO 59 Cb 0.61 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 1vee h PRO 59 CO -0.49 0.98 -0.03 0.78 -0.23 0.00 0.00 178.00 179.01 1vee h GLY 60 N 0.85 0.00 0.29 1.56 0.00 -1.78 -1.41 103.07 102.58 1vee h GLY 60 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.33 1vee h GLY 60 CO 0.03 0.00 -0.76 -2.75 0.00 0.00 0.00 176.54 173.06 1vee h PHE 61 N 0.00 0.23 -0.46 5.60 3.57 -0.59 -3.35 116.94 121.94 1vee h PHE 61 Ca -0.00 -0.17 0.06 0.00 3.53 0.00 0.00 57.97 61.39 1vee h PHE 61 Cb 0.15 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 1vee h PHE 61 CO 0.00 1.30 0.17 -0.07 -2.23 0.00 0.00 178.31 177.47 1vee h LEU 62 N -0.69 0.18 -0.67 0.59 3.38 -0.95 -2.46 115.31 114.69 1vee h LEU 62 Ca -0.17 0.05 0.12 0.00 0.09 0.00 0.00 57.88 57.97 1vee h LEU 62 Cb 1.39 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 42.09 1vee h LEU 62 CO 0.01 0.13 0.25 0.07 0.09 0.00 0.00 178.44 178.99 1vee h LYS 63 N 0.34 0.40 0.00 1.13 2.10 -1.44 -0.06 116.57 119.05 1vee h LYS 63 Ca 0.22 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.84 1vee h LYS 63 Cb 0.22 -0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 31.46 1vee h LYS 63 CO -0.22 0.26 -0.00 0.87 -2.00 0.00 0.00 179.45 178.36 1vee h LYS 64 N 0.41 0.00 0.02 0.07 1.57 -1.57 -0.77 116.57 116.30 1vee h LYS 64 Ca 0.35 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.76 1vee h LYS 64 Cb 0.49 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.75 1vee h LYS 64 CO -0.36 0.00 -2.10 1.28 -0.57 0.00 0.00 179.45 177.70 1vee n LEU 65 N -3.09 2.26 0.33 2.94 4.77 -0.29 -3.76 117.00 120.17 1vee n LEU 65 Ca -0.02 0.24 0.21 0.00 -0.03 0.00 0.00 56.01 56.40 1vee n LEU 65 Cb 0.12 -0.93 1.12 0.00 -2.33 0.00 0.00 43.42 41.40 1vee n LEU 65 CO 0.22 0.62 1.16 -1.28 -1.33 0.00 0.00 177.39 176.78 1vee h SER 66 N -0.61 0.00 0.10 -1.43 0.87 -0.80 0.36 113.55 112.03 1vee h SER 66 Ca -0.54 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 1vee h SER 66 Cb 1.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.62 1vee h SER 66 CO -0.21 0.00 -0.17 0.00 -0.53 0.00 0.00 176.83 175.92 1vee n LEU 67 N -3.26 1.49 -0.02 2.23 -0.00 -0.32 -4.20 117.00 112.92 1vee n LEU 67 Ca -0.03 -0.47 -0.01 0.00 -0.00 0.00 0.00 56.01 55.50 1vee n LEU 67 Cb 0.09 -0.05 -0.04 0.00 -0.00 0.00 0.00 43.42 43.42 1vee n LEU 67 CO 0.22 0.26 -0.63 2.29 -0.00 0.00 0.00 177.39 179.54 1vee n LYS 68 N -0.10 2.57 -3.37 1.47 -0.00 -0.08 -4.95 118.16 113.69 1vee n LYS 68 Ca 0.14 -0.01 -0.41 0.00 -0.00 0.00 0.00 58.31 58.03 1vee n LYS 68 Cb 0.39 -1.12 -0.09 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 -2.16 3.20 0.36 5.58 0.08 -0.09 -4.96 117.98 119.98 1vee s PHE 69 Ca -0.02 -0.08 0.09 0.00 0.12 0.00 0.00 56.93 57.04 1vee s PHE 69 Cb 0.02 -2.74 0.68 0.00 -0.57 0.00 0.00 43.02 40.41 1vee s PHE 69 CO 0.19 -0.50 1.84 1.57 -0.10 0.00 0.00 175.22 178.22 1vee h LYS 70 N 8.52 0.20 -2.31 0.44 2.10 -1.89 -3.37 116.57 120.25 1vee h LYS 70 Ca -0.29 -0.06 -0.58 0.00 -2.00 0.00 0.00 60.65 57.71 1vee h LYS 70 Cb 1.13 -0.02 -0.39 0.00 -0.90 0.00 0.00 32.23 32.06 1vee h LYS 70 CO 0.72 0.45 -0.98 -0.25 -2.00 0.00 0.00 179.45 177.39 1vee n ASP 71 N -4.17 -0.06 -0.35 7.07 8.00 -1.26 -5.00 116.55 120.78 1vee n ASP 71 Ca -0.01 -2.51 0.00 0.00 0.71 0.00 0.00 54.79 52.98 1vee n ASP 71 Cb 0.35 -0.59 0.14 0.00 -0.02 0.00 0.00 41.12 41.01 1vee n ASP 71 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1vee h PRO 72 N 5.21 1.12 0.00 -0.24 0.13 -1.84 -2.66 132.00 133.72 1vee h PRO 72 Ca 0.22 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1vee h PRO 72 Cb 0.89 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1vee h PRO 72 CO 0.42 0.74 0.00 -0.85 -0.23 0.00 0.00 178.00 178.08 1vee n GLU 73 N -4.51 0.04 0.00 0.86 0.28 -0.74 -1.21 120.64 115.36 1vee n GLU 73 Ca 0.13 0.28 0.00 0.00 -0.16 0.00 0.00 57.16 57.41 1vee n GLU 73 Cb 0.12 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.49 1vee n GLU 73 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1vee n ASN 74 N -1.31 0.42 -4.66 -1.84 2.85 -1.03 -3.78 115.26 105.92 1vee n ASN 74 Ca 0.01 -0.74 -0.38 0.00 -0.11 0.00 0.00 54.58 53.37 1vee n ASN 74 Cb 0.02 0.28 -0.08 0.00 1.24 0.00 0.00 39.78 41.25 1vee n ASN 74 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1vee s THR 75 N -0.28 5.25 -0.05 -0.44 2.01 -0.66 -4.81 115.64 116.65 1vee s THR 75 Ca 0.00 0.52 -0.20 0.00 0.31 0.00 0.00 61.69 62.32 1vee s THR 75 Cb 0.00 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 1vee s THR 75 CO 0.00 0.27 0.56 -0.89 -0.69 0.00 0.00 174.62 173.87 1vee s THR 76 N 1.35 5.03 -0.44 -0.82 2.01 -0.92 -3.20 115.64 118.65 1vee s THR 76 Ca 0.15 1.16 -0.03 0.00 0.31 0.00 0.00 61.69 63.28 1vee s THR 76 Cb -0.15 -3.90 0.12 0.00 0.01 0.00 0.00 72.50 68.58 1vee s THR 76 CO 0.07 0.37 0.24 -0.76 -0.69 0.00 0.00 174.62 173.86 1vee s LEU 77 N 0.18 5.28 -0.36 4.42 1.43 -0.57 -1.67 118.68 127.39 1vee s LEU 77 Ca 0.30 -2.14 -0.29 0.00 -1.03 0.00 0.00 54.13 50.98 1vee s LEU 77 Cb -0.17 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.22 1vee s LEU 77 CO 0.15 -0.53 1.19 -0.31 0.23 0.00 0.00 176.35 177.07 1vee s TYR 78 N 0.99 2.87 0.08 0.29 1.51 -0.91 -3.18 117.35 119.00 1vee s TYR 78 Ca 0.09 0.94 -0.28 0.00 -1.01 0.00 0.00 57.07 56.81 1vee s TYR 78 Cb -0.23 -3.99 -0.06 0.00 -0.11 0.00 0.00 41.96 37.58 1vee s TYR 78 CO -0.04 -1.27 0.88 0.42 -1.11 0.00 0.00 175.55 174.43 1vee s ILE 79 N 4.20 4.60 -0.18 2.71 1.09 0.29 -0.30 121.20 133.61 1vee s ILE 79 Ca 0.51 1.89 -0.01 0.00 -1.10 0.00 0.00 60.65 61.94 1vee s ILE 79 Cb -0.12 -4.24 0.05 0.00 -1.06 0.00 0.00 42.46 37.09 1vee s ILE 79 CO 0.23 0.33 -0.03 -0.22 -0.10 0.00 0.00 174.94 175.15 1vee s LEU 80 N -0.01 1.66 0.00 2.97 2.96 0.17 -2.97 118.68 123.45 1vee s LEU 80 Ca 0.44 -0.77 0.00 0.00 -0.22 0.00 0.00 54.13 53.57 1vee s LEU 80 Cb -0.22 -0.87 0.00 0.00 0.50 0.00 0.00 46.19 45.60 1vee s LEU 80 CO 0.27 -0.22 0.02 -0.67 -1.32 0.00 0.00 176.35 174.43 1vee n ASP 81 N 4.88 3.02 0.24 3.68 2.03 -1.26 -1.38 116.55 127.77 1vee n ASP 81 Ca -0.11 -2.67 -0.16 0.00 0.52 0.00 0.00 54.79 52.37 1vee n ASP 81 Cb 0.47 0.25 -0.08 0.00 -0.72 0.00 0.00 41.12 41.04 1vee n ASP 81 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1vee h LYS 82 N 0.00 -0.55 0.00 -0.67 1.57 -1.92 -1.36 116.57 113.63 1vee h LYS 82 Ca -0.32 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1vee h LYS 82 Cb 0.97 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1vee h LYS 82 CO 0.52 -0.34 0.00 1.19 -0.57 0.00 0.00 179.45 180.26 1vee n PHE 83 N -5.31 0.00 -0.30 -1.35 3.72 -1.26 -0.85 117.46 112.10 1vee n PHE 83 Ca -0.11 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.23 1vee n PHE 83 Cb 0.26 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.75 1vee n PHE 83 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1vee n ASP 84 N -2.59 -0.70 0.00 4.37 9.92 -1.26 -4.26 116.55 122.02 1vee n ASP 84 Ca 0.00 1.30 0.00 0.00 -0.53 0.00 0.00 54.79 55.56 1vee n ASP 84 Cb 0.00 -0.20 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 1vee n ASP 84 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vee n GLY 85 N -1.23 1.48 0.00 0.44 0.00 -1.26 -2.86 105.19 101.76 1vee n GLY 85 Ca 0.03 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 7.77 0.54 -0.32 1.61 3.02 -1.26 -4.93 115.26 121.69 1vee n ASN 86 Ca 0.00 -1.28 0.20 0.00 -0.03 0.00 0.00 54.58 53.48 1vee n ASN 86 Cb 0.00 -0.00 0.41 0.00 -0.61 0.00 0.00 39.78 39.58 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 0.24 -0.44 6.41 0.02 -1.86 -0.02 113.55 117.90 1vee h SER 87 Ca 0.00 0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1vee h SER 87 Cb 0.87 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 1vee h SER 87 CO 0.00 -0.19 0.14 -0.33 -1.14 0.00 0.00 176.83 175.30 1vee h GLU 88 N 0.22 0.68 -0.33 3.45 5.08 -1.92 -0.53 114.58 121.24 1vee h GLU 88 Ca 0.67 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.86 1vee h GLU 88 Cb 1.51 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1vee h GLU 88 CO -0.67 0.66 0.08 1.25 -1.00 0.00 0.00 179.01 179.33 1vee h LEU 89 N 0.56 0.50 -1.96 1.33 7.12 -1.45 -2.38 115.31 119.04 1vee h LEU 89 Ca 0.14 -0.23 -0.02 0.00 0.13 0.00 0.00 57.88 57.90 1vee h LEU 89 Cb 0.26 -0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 40.26 1vee h LEU 89 CO -0.00 0.60 -0.07 0.58 -0.13 0.00 0.00 178.44 179.41 1vee h VAL 90 N 0.37 0.91 -0.32 1.05 2.07 -1.05 -0.02 116.25 119.27 1vee h VAL 90 Ca 0.10 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 1vee h VAL 90 Cb 0.30 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1vee h VAL 90 CO 0.00 0.07 -0.01 0.00 0.02 0.00 0.00 177.57 177.66 1vee h ALA 91 N 1.93 0.43 -0.04 1.67 0.00 -0.56 -2.88 119.26 119.80 1vee h ALA 91 Ca -0.00 -0.24 -0.25 0.00 0.00 0.00 0.00 54.91 54.42 1vee h ALA 91 Cb 0.14 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.83 1vee h ALA 91 CO 0.01 0.19 -0.95 0.93 0.00 0.00 0.00 179.25 179.42 1vee h GLU 92 N 0.36 0.69 -0.49 0.00 4.39 -1.25 -3.08 114.58 115.21 1vee h GLU 92 Ca 0.09 -0.68 0.08 0.00 0.34 0.00 0.00 59.36 59.18 1vee h GLU 92 Cb 0.45 0.18 -0.10 0.00 -0.10 0.00 0.00 28.75 29.19 1vee h GLU 92 CO 0.02 1.28 -0.43 1.25 -1.16 0.00 0.00 179.01 179.96 1vee h LEU 93 N 0.42 -1.45 -0.57 1.33 5.85 -0.96 0.86 115.31 120.78 1vee h LEU 93 Ca -0.10 0.23 -0.12 0.00 0.84 0.00 0.00 57.88 58.73 1vee h LEU 93 Cb 1.60 0.65 -0.02 0.00 0.37 0.00 0.00 40.66 43.26 1vee h LEU 93 CO 0.19 -0.35 -0.16 -0.37 -0.34 0.00 0.00 178.44 177.41 1vee h VAL 94 N -0.28 1.27 0.13 1.05 -1.51 -1.62 -2.63 116.25 112.66 1vee h VAL 94 Ca 0.16 -1.31 0.01 0.00 -1.23 0.00 0.00 66.70 64.32 1vee h VAL 94 Cb 0.57 1.05 -0.02 0.00 -2.13 0.00 0.00 31.29 30.76 1vee h VAL 94 CO -0.63 0.46 -0.16 0.00 -1.23 0.00 0.00 177.57 176.00 1vee h ALA 95 N 0.95 -0.31 0.00 5.19 0.00 -1.17 -0.65 119.26 123.27 1vee h ALA 95 Ca 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1vee h ALA 95 Cb 0.72 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1vee h ALA 95 CO 0.06 -0.70 -0.00 -0.07 0.00 0.00 0.00 179.25 178.53 1vee h LEU 96 N -0.34 0.00 0.00 0.00 4.07 -0.88 -2.53 115.31 115.63 1vee h LEU 96 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1vee h LEU 96 Cb 0.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1vee h LEU 96 CO -0.06 0.00 -0.74 0.78 -1.08 0.00 0.00 178.44 177.34 1vee h ASN 97 N 0.00 0.00 0.00 -0.43 2.35 -0.90 -3.48 115.58 113.13 1vee h ASN 97 Ca -0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1vee h ASN 97 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1vee h ASN 97 CO 0.00 0.11 0.00 0.61 -1.65 0.00 0.00 177.43 176.50 1vee n GLY 98 N 1.32 -0.03 3.86 2.83 0.00 -0.87 -5.07 105.19 107.23 1vee n GLY 98 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.89 3.51 0.00 1.61 0.40 -0.35 -1.79 117.98 120.48 1vee s PHE 99 Ca 0.00 1.29 -0.02 0.00 -0.60 0.00 0.00 56.93 57.60 1vee s PHE 99 Cb 0.00 -2.67 -0.01 0.00 0.51 0.00 0.00 43.02 40.85 1vee s PHE 99 CO 0.00 -0.39 1.03 -0.22 0.70 0.00 0.00 175.22 176.34 1vee h LYS 100 N 0.61 -0.05 -2.92 0.44 1.63 -1.12 -3.39 116.57 111.77 1vee h LYS 100 Ca -0.46 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.36 1vee h LYS 100 Cb 1.19 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 1vee h LYS 100 CO 0.62 -0.04 0.32 -1.12 -3.45 0.00 0.00 179.45 175.78 1vee s SER 101 N -2.39 -0.02 0.19 4.20 0.01 -1.26 -4.93 113.70 109.50 1vee s SER 101 Ca -0.01 -1.02 -0.18 0.00 1.31 0.00 0.00 55.95 56.05 1vee s SER 101 Cb 0.00 0.79 0.03 0.00 0.21 0.00 0.00 66.02 67.05 1vee s SER 101 CO 0.03 -1.55 0.53 0.00 0.41 0.00 0.00 173.24 172.66 1vee s ALA 102 N -2.44 -1.02 0.02 1.44 0.00 -1.26 -1.52 121.76 116.98 1vee s ALA 102 Ca 0.16 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.01 1vee s ALA 102 Cb -0.05 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 1vee s ALA 102 CO 0.10 -0.80 -0.06 0.71 0.00 0.00 0.00 175.76 175.71 1vee s TYR 103 N -3.85 0.55 -0.23 0.00 1.51 -1.19 -4.67 117.35 109.46 1vee s TYR 103 Ca 0.08 -0.31 -0.04 0.00 -1.01 0.00 0.00 57.07 55.79 1vee s TYR 103 Cb -0.01 -0.34 0.00 0.00 -0.11 0.00 0.00 41.96 41.50 1vee s TYR 103 CO -0.04 -0.05 -0.03 0.00 -1.11 0.00 0.00 175.55 174.31 1vee s ALA 104 N -0.81 2.82 -0.39 3.71 0.00 -0.22 -0.54 121.76 126.33 1vee s ALA 104 Ca -0.05 -1.26 -0.29 0.00 0.00 0.00 0.00 51.96 50.36 1vee s ALA 104 Cb -0.06 -1.75 0.02 0.00 0.00 0.00 0.00 23.12 21.32 1vee s ALA 104 CO 0.00 -0.57 1.15 0.42 0.00 0.00 0.00 175.76 176.77 1vee s ILE 105 N 1.45 4.29 0.45 0.00 1.09 -1.16 -2.61 121.20 124.72 1vee s ILE 105 Ca 0.04 1.41 -0.25 0.00 -1.10 0.00 0.00 60.65 60.76 1vee s ILE 105 Cb -0.15 -4.45 -0.08 0.00 -1.06 0.00 0.00 42.46 36.72 1vee s ILE 105 CO -0.03 -0.72 1.35 -0.75 -0.10 0.00 0.00 174.94 174.69 1vee s LYS 106 N 4.14 3.72 0.00 2.79 2.47 -1.26 -2.00 119.74 129.61 1vee s LYS 106 Ca 0.49 2.26 0.00 0.00 -1.56 0.00 0.00 55.97 57.15 1vee s LYS 106 Cb -0.11 -2.62 0.00 0.00 -1.46 0.00 0.00 37.83 33.64 1vee s LYS 106 CO 0.24 -0.73 0.00 -0.25 0.16 0.00 0.00 175.35 174.77 1vee n ASP 107 N -0.20 -1.24 0.00 1.43 8.00 -1.26 -4.36 116.55 118.92 1vee n ASP 107 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1vee n ASP 107 Cb 0.43 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 1vee n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vee n GLY 108 N -1.76 1.70 0.00 0.44 0.00 -0.85 -1.32 105.19 103.41 1vee n GLY 108 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 9.13 1.78 0.47 4.61 0.00 -0.03 -1.90 120.51 134.57 1vee n ALA 109 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1vee n ALA 109 Cb 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.42 3.32 -0.73 0.00 1.02 -0.41 -2.42 120.64 120.01 1vee n GLU 110 Ca 0.00 -0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.03 1vee n GLU 110 Cb 0.09 -1.01 0.07 0.00 -0.02 0.00 0.00 31.44 30.56 1vee n GLU 110 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vee n GLY 111 N 1.29 -1.10 0.37 0.62 0.00 -0.43 -4.83 105.19 101.10 1vee n GLY 111 Ca 0.02 -1.71 0.10 0.00 0.00 0.00 0.00 46.02 44.43 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 0.00 0.65 -0.32 1.61 0.13 -1.95 -1.17 132.00 130.95 1vee h PRO 112 Ca -0.15 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1vee h PRO 112 Cb 0.42 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.40 1vee h PRO 112 CO 0.11 0.43 0.00 0.54 -0.23 0.00 0.00 178.00 178.85 1vee n ARG 113 N -4.51 2.88 -1.28 0.86 5.12 -1.26 -4.60 116.66 113.86 1vee n ARG 113 Ca 0.14 -2.11 -0.33 0.00 -1.93 0.00 0.00 57.85 53.63 1vee n ARG 113 Cb 0.39 -1.32 0.10 0.00 -1.16 0.00 0.00 32.46 30.47 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 -1.11 2.03 0.18 -0.13 0.00 -0.44 -3.46 107.32 104.39 1vee s GLY 114 Ca 0.24 0.64 -0.15 0.00 0.00 0.00 0.00 44.72 45.45 1vee s GLY 114 CO 0.14 1.02 1.26 1.87 0.00 0.00 0.00 173.10 177.39 1vee n TRP 115 N -3.17 -0.00 -0.33 1.90 -0.00 -0.80 -0.66 117.44 114.37 1vee n TRP 115 Ca 0.12 1.00 -0.02 0.00 -0.00 0.00 0.00 57.50 58.60 1vee n TRP 115 Cb 0.51 -0.79 0.14 0.00 -0.00 0.00 0.00 31.31 31.18 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 1.09 -0.10 5.87 3.38 -1.78 -2.43 115.31 121.34 1vee h LEU 116 Ca 0.27 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1vee h LEU 116 Cb 0.47 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1vee h LEU 116 CO -0.80 0.80 -0.30 0.59 0.09 0.00 0.00 178.44 178.82 1vee n ASN 117 N -4.38 0.45 -0.16 -0.43 3.02 0.17 -3.85 115.26 110.08 1vee n ASN 117 Ca 0.11 -0.21 0.06 0.00 -0.03 0.00 0.00 54.58 54.51 1vee n ASN 117 Cb 0.03 0.02 0.31 0.00 -0.61 0.00 0.00 39.78 39.54 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 -1.31 0.48 -3.53 6.41 2.88 -0.06 -4.86 113.62 113.63 1vee n SER 118 Ca 0.08 -1.70 -0.23 0.00 -1.33 0.00 0.00 58.87 55.69 1vee n SER 118 Cb 0.33 -0.04 0.05 0.00 -0.75 0.00 0.00 64.21 63.80 1vee n SER 118 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1vee n SER 119 N -0.38 -4.60 -4.39 -3.46 7.64 -1.25 -4.79 113.62 102.40 1vee n SER 119 Ca 0.10 -0.85 -0.25 0.00 1.01 0.00 0.00 58.87 58.88 1vee n SER 119 Cb 0.11 -4.24 -0.12 0.00 -1.01 0.00 0.00 64.21 58.96 1vee n SER 119 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1vee s LEU 120 N -6.15 2.44 0.83 -3.43 1.43 -1.24 -5.11 118.68 107.44 1vee s LEU 120 Ca 0.33 -0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 52.45 1vee s LEU 120 Cb -0.08 -1.06 0.09 0.00 0.03 0.00 0.00 46.19 45.17 1vee s LEU 120 CO 0.80 0.07 1.11 -2.16 0.23 0.00 0.00 176.35 176.40 1vee s PRO 121 N -2.71 1.83 -0.20 1.29 0.04 -1.26 -4.78 135.00 129.21 1vee s PRO 121 Ca 0.19 0.55 -0.27 0.00 0.04 0.00 0.00 61.00 61.52 1vee s PRO 121 Cb -0.07 -1.90 0.07 0.00 0.04 0.00 0.00 34.50 32.64 1vee s PRO 121 CO 0.09 -1.78 0.71 -0.46 0.04 0.00 0.00 177.00 175.60 1vee s TRP 122 N -3.18 -0.75 -0.64 0.56 -0.11 -1.26 -4.31 118.94 109.25 1vee s TRP 122 Ca 0.62 1.68 -0.18 0.00 1.22 0.00 0.00 56.10 59.43 1vee s TRP 122 Cb -0.15 0.31 0.12 0.00 -1.50 0.00 0.00 33.47 32.26 1vee s TRP 122 CO 0.54 -0.45 0.73 0.42 -4.62 0.00 0.00 176.95 173.57 1vee s ILE 123 N -0.11 4.92 0.20 5.86 1.01 -0.31 -4.91 121.20 127.86 1vee s ILE 123 Ca -0.03 -1.24 -0.25 0.00 0.00 0.00 0.00 60.65 59.12 1vee s ILE 123 Cb -0.03 -4.50 -0.08 0.00 0.01 0.00 0.00 42.46 37.85 1vee s ILE 123 CO 0.04 -1.13 0.81 -1.61 0.00 0.00 0.00 174.94 173.04 1vee s GLU 124 N 2.35 4.56 0.69 2.79 2.02 -1.26 -2.57 118.70 127.28 1vee s GLU 124 Ca 0.13 1.18 -0.12 0.00 0.02 0.00 0.00 54.97 56.18 1vee s GLU 124 Cb -0.21 -3.16 0.01 0.00 0.10 0.00 0.00 34.13 30.87 1vee s GLU 124 CO 0.03 0.51 1.08 -1.25 0.02 0.00 0.00 175.26 175.64 1vee s PRO 125 N -1.37 2.79 0.00 0.39 0.04 -1.26 -4.91 135.00 130.68 1vee s PRO 125 Ca 0.39 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1vee s PRO 125 Cb -0.22 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1vee s PRO 125 CO 0.26 -1.23 1.17 1.63 0.04 0.00 0.00 177.00 178.87 1vee n LYS 126 N -2.95 0.76 0.09 4.56 4.01 -1.26 -4.33 118.16 119.05 1vee n LYS 126 Ca 0.09 0.00 0.13 0.00 -0.51 0.00 0.00 58.31 58.01 1vee n LYS 126 Cb 0.53 -1.12 0.29 0.00 -0.51 0.00 0.00 35.03 34.22 1vee n LYS 126 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 1vee h LYS 127 N 1.16 0.00 -7.31 1.97 5.09 -1.89 -3.47 116.57 112.11 1vee h LYS 127 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 60.65 60.24 1vee h LYS 127 Cb 0.76 0.00 0.15 0.00 0.10 0.00 0.00 32.23 33.24 1vee h LYS 127 CO 0.00 0.00 0.27 0.95 -2.09 0.00 0.00 179.45 178.58 1vee s THR 128 N -3.14 2.89 -0.17 0.07 -4.23 -1.26 -5.05 115.64 104.74 1vee s THR 128 Ca 0.08 0.29 -0.05 0.00 -1.18 0.00 0.00 61.69 60.83 1vee s THR 128 Cb 0.12 -2.70 0.08 0.00 1.34 0.00 0.00 72.50 71.35 1vee s THR 128 CO 0.65 -0.38 0.32 -0.44 -0.54 0.00 0.00 174.62 174.24 1vee s SER 129 N -3.28 0.24 0.00 3.99 0.01 -1.26 -5.12 113.70 108.27 1vee s SER 129 Ca 0.63 0.60 0.00 0.00 1.31 0.00 0.00 55.95 58.48 1vee s SER 129 Cb -0.18 0.92 0.00 0.00 0.21 0.00 0.00 66.02 66.97 1vee s SER 129 CO 0.57 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.58 1vee n GLY 130 N 5.36 0.04 0.07 3.44 0.00 -1.26 -4.88 105.19 107.96 1vee n GLY 130 Ca -0.06 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.07 1vee n GLY 130 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vee h PRO 131 N 0.00 -0.01 -6.08 1.61 0.13 -2.07 -3.45 132.00 122.12 1vee h PRO 131 Ca 0.00 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.49 1vee h PRO 131 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1vee h PRO 131 CO 0.00 0.82 1.31 0.43 -0.23 0.00 0.00 178.00 180.33 1vee n SER 132 N -4.67 2.78 0.14 1.44 7.64 -1.26 -4.88 113.62 114.81 1vee n SER 132 Ca -0.09 0.57 0.12 0.00 1.01 0.00 0.00 58.87 60.48 1vee n SER 132 Cb 0.40 -1.35 0.52 0.00 -1.01 0.00 0.00 64.21 62.77 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 9.04 0.68 0.00 6.43 7.64 -1.26 -5.02 113.62 131.13 1vee n SER 133 Ca 0.32 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1vee n SER 133 Cb 0.29 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1vee n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64