#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 1.58 -0.16 1.61 1.04 -1.26 -4.89 113.70 111.62 1vee s SER 2 Ca 0.00 1.09 -0.01 0.00 0.48 0.00 0.00 55.95 57.51 1vee s SER 2 Cb 0.00 -1.67 0.10 0.00 0.10 0.00 0.00 66.02 64.55 1vee s SER 2 CO 0.00 -3.77 2.05 -1.20 0.98 0.00 0.00 173.24 171.31 1vee n SER 3 N -4.58 5.90 0.00 7.02 7.64 -1.26 -4.88 113.62 123.46 1vee n SER 3 Ca 0.07 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.21 1vee n SER 3 Cb 0.57 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 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 0.96 0.84 3.56 0.23 0.00 -1.26 -4.62 105.19 104.89 1vee n GLY 4 Ca 0.16 -2.00 -0.24 0.00 0.00 0.00 0.00 46.02 43.94 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 -3.82 4.41 0.68 1.61 0.01 -1.26 -5.00 113.70 110.33 1vee s SER 5 Ca 0.00 0.17 -0.11 0.00 1.31 0.00 0.00 55.95 57.32 1vee s SER 5 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1vee s SER 5 CO 0.00 -3.27 1.06 -0.94 0.41 0.00 0.00 173.24 170.50 1vee s SER 6 N 10.33 5.47 0.00 2.44 1.04 -1.26 -1.85 113.70 129.86 1vee s SER 6 Ca 0.86 1.62 0.00 0.00 0.48 0.00 0.00 55.95 58.92 1vee s SER 6 Cb -0.13 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1vee s SER 6 CO 0.12 -1.38 0.00 0.61 0.98 0.00 0.00 173.24 173.56 1vee n GLY 7 N -1.96 -1.27 3.42 7.32 0.00 -1.22 -4.77 105.19 106.71 1vee n GLY 7 Ca 0.07 0.98 -0.34 0.00 0.00 0.00 0.00 46.02 46.74 1vee n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vee n SER 8 N 0.00 -1.99 -0.17 1.61 7.64 -1.26 -3.86 113.62 115.59 1vee n SER 8 Ca 0.00 0.38 -0.02 0.00 1.01 0.00 0.00 58.87 60.24 1vee n SER 8 Cb 0.00 -1.20 0.05 0.00 -1.01 0.00 0.00 64.21 62.05 1vee n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vee h ALA 9 N -1.28 0.37 -0.23 -0.43 0.00 -1.81 0.10 119.26 115.98 1vee h ALA 9 Ca -0.44 0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1vee h ALA 9 Cb 1.30 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1vee h ALA 9 CO 0.36 -0.43 0.09 0.87 0.00 0.00 0.00 179.25 180.14 1vee h LYS 10 N 0.02 0.20 0.07 0.00 1.57 -1.89 -0.11 116.57 116.43 1vee h LYS 10 Ca 0.26 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1vee h LYS 10 Cb 0.39 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1vee h LYS 10 CO -0.53 0.13 -0.17 -0.97 -0.57 0.00 0.00 179.45 177.35 1vee h ASN 11 N 0.21 -0.47 -0.22 0.86 -1.24 -1.49 -0.32 115.58 112.91 1vee h ASN 11 Ca 0.10 0.06 0.05 0.00 0.71 0.00 0.00 56.30 57.22 1vee h ASN 11 Cb 0.06 0.18 -0.06 0.00 0.73 0.00 0.00 38.32 39.24 1vee h ASN 11 CO -0.09 -0.24 -0.13 0.00 -1.29 0.00 0.00 177.43 175.68 1vee h ALA 12 N 0.56 0.04 -0.82 1.57 0.00 -0.57 0.00 119.26 120.04 1vee h ALA 12 Ca 0.03 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1vee h ALA 12 Cb 0.34 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1vee h ALA 12 CO -0.11 -0.55 0.55 -0.92 0.00 0.00 0.00 179.25 178.21 1vee h TYR 13 N -0.12 1.03 0.15 0.00 3.20 -0.80 0.32 116.97 120.76 1vee h TYR 13 Ca 0.13 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1vee h TYR 13 Cb 0.30 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1vee h TYR 13 CO -0.30 0.65 -0.07 1.15 -1.64 0.00 0.00 178.16 177.95 1vee h THR 14 N 1.12 0.90 -0.50 1.81 2.02 -0.49 -2.57 112.91 115.18 1vee h THR 14 Ca 0.30 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 1vee h THR 14 Cb -0.13 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1vee h THR 14 CO -0.07 0.05 0.16 0.11 0.37 0.00 0.00 175.52 176.14 1vee h LYS 15 N -0.29 0.74 -0.06 6.66 1.79 -0.65 -0.79 116.57 123.97 1vee h LYS 15 Ca -0.02 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1vee h LYS 15 Cb 0.23 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1vee h LYS 15 CO 0.03 0.65 0.04 -0.07 -1.08 0.00 0.00 179.45 179.02 1vee h LEU 16 N 0.73 0.07 -0.82 2.94 3.38 -0.74 0.35 115.31 121.21 1vee h LEU 16 Ca 0.17 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1vee h LEU 16 Cb 0.21 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1vee h LEU 16 CO -0.01 0.05 -0.33 1.23 0.09 0.00 0.00 178.44 179.47 1vee h GLY 17 N 0.08 0.00 0.00 0.83 0.00 -0.74 -3.25 103.07 99.99 1vee h GLY 17 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.20 1vee h GLY 17 CO -0.00 0.00 -2.13 -0.37 0.00 0.00 0.00 176.54 174.04 1vee n THR 18 N -3.41 0.56 -2.03 4.70 5.66 -0.69 -4.99 114.28 114.08 1vee n THR 18 Ca 0.00 -0.63 -0.28 0.00 -3.05 0.00 0.00 64.05 60.10 1vee n THR 18 Cb 0.52 -0.19 0.08 0.00 -1.55 0.00 0.00 70.33 69.19 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 -4.85 4.60 -0.01 1.09 -1.08 0.03 -5.04 116.67 111.41 1vee s ASP 19 Ca -0.09 0.63 0.00 0.00 -0.52 0.00 0.00 52.55 52.57 1vee s ASP 19 Cb 0.10 -1.17 -0.01 0.00 -1.46 0.00 0.00 42.92 40.39 1vee s ASP 19 CO 0.85 -1.80 -0.00 -0.67 0.52 0.00 0.00 175.17 174.07 1vee n ASP 20 N -3.16 4.59 -0.00 -0.34 2.03 -1.26 -4.76 116.55 113.65 1vee n ASP 20 Ca 0.08 -0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.48 1vee n ASP 20 Cb 0.61 0.37 -0.12 0.00 -0.72 0.00 0.00 41.12 41.26 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 -2.16 0.83 -4.76 1.67 3.02 -1.26 -4.98 115.26 107.62 1vee n ASN 21 Ca -0.01 -0.79 -0.41 0.00 -0.03 0.00 0.00 54.58 53.34 1vee n ASN 21 Cb 0.52 1.16 -0.01 0.00 -0.61 0.00 0.00 39.78 40.84 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 -2.92 3.63 0.15 5.41 0.00 -1.26 -4.26 121.76 122.51 1vee s ALA 22 Ca 0.05 1.47 -0.01 0.00 0.00 0.00 0.00 51.96 53.46 1vee s ALA 22 Cb 0.14 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1vee s ALA 22 CO 0.80 -0.89 0.08 -0.65 0.00 0.00 0.00 175.76 175.09 1vee s GLN 23 N -1.12 1.00 -0.23 0.00 -1.52 -0.78 -4.89 119.66 112.13 1vee s GLN 23 Ca 0.57 -1.49 -0.12 0.00 -1.95 0.00 0.00 55.36 52.37 1vee s GLN 23 Cb -0.45 0.25 -0.05 0.00 -0.22 0.00 0.00 33.01 32.55 1vee s GLN 23 CO 0.52 -0.29 0.25 -1.17 -0.25 0.00 0.00 175.29 174.34 1vee s LEU 24 N -3.08 4.13 -0.51 2.90 1.98 -1.26 -1.61 118.68 121.23 1vee s LEU 24 Ca 0.28 0.26 -0.07 0.00 -2.89 0.00 0.00 54.13 51.71 1vee s LEU 24 Cb 0.07 -2.26 0.13 0.00 0.66 0.00 0.00 46.19 44.80 1vee s LEU 24 CO 0.04 0.01 0.37 -0.22 -1.89 0.00 0.00 176.35 174.67 1vee s LEU 25 N 1.14 5.62 -0.54 -0.68 2.96 0.61 -0.99 118.68 126.81 1vee s LEU 25 Ca 0.12 -2.16 -0.28 0.00 -0.22 0.00 0.00 54.13 51.59 1vee s LEU 25 Cb -0.14 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.60 1vee s LEU 25 CO 0.06 -0.60 1.37 -1.81 -1.32 0.00 0.00 176.35 174.04 1vee s ASP 26 N 2.13 6.23 0.00 3.68 1.01 -1.23 -1.50 116.67 126.99 1vee s ASP 26 Ca 0.09 0.34 0.25 0.00 0.71 0.00 0.00 52.55 53.95 1vee s ASP 26 Cb -0.23 -2.55 0.73 0.00 1.01 0.00 0.00 42.92 41.88 1vee s ASP 26 CO -0.03 -1.61 1.56 2.30 0.21 0.00 0.00 175.17 177.60 1vee n ILE 27 N 6.86 0.09 -0.51 0.77 -5.35 -0.19 -2.02 119.36 119.02 1vee n ILE 27 Ca 0.12 -0.37 -0.29 0.00 -0.27 0.00 0.00 62.75 61.94 1vee n ILE 27 Cb 0.49 0.74 0.24 0.00 -1.74 0.00 0.00 39.64 39.37 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 0.60 -2.19 -2.81 6.28 1.74 -1.24 -2.88 116.66 116.15 1vee n ARG 28 Ca 0.17 -0.61 -0.40 0.00 -0.77 0.00 0.00 57.85 56.24 1vee n ARG 28 Cb 0.43 -2.15 -0.05 0.00 -1.02 0.00 0.00 32.46 29.67 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 -2.41 3.30 0.35 7.54 0.00 -1.26 -4.32 121.76 124.96 1vee s ALA 29 Ca 0.67 0.50 0.15 0.00 0.00 0.00 0.00 51.96 53.29 1vee s ALA 29 Cb -0.24 -3.18 1.15 0.00 0.00 0.00 0.00 23.12 20.85 1vee s ALA 29 CO 0.65 0.06 1.61 1.15 0.00 0.00 0.00 175.76 179.22 1vee h THR 30 N 3.84 0.11 -0.48 0.00 2.02 -1.98 0.47 112.91 116.89 1vee h THR 30 Ca -0.44 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 66.71 1vee h THR 30 Cb 1.21 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1vee h THR 30 CO 0.70 0.02 0.31 0.00 0.37 0.00 0.00 175.52 176.92 1vee h ALA 31 N 1.94 0.60 -0.10 6.16 0.00 -2.01 -2.74 119.26 123.12 1vee h ALA 31 Ca 0.76 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.67 1vee h ALA 31 Cb 1.88 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 1vee h ALA 31 CO -0.74 0.04 0.08 -0.44 0.00 0.00 0.00 179.25 178.19 1vee h ASP 32 N 0.63 0.00 0.00 0.00 3.32 -1.29 0.80 116.42 119.89 1vee h ASP 32 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1vee h ASP 32 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1vee h ASP 32 CO -0.05 0.00 0.00 -0.26 -1.72 0.00 0.00 179.24 177.21 1vee h PHE 33 N 0.00 0.00 0.00 4.55 -1.00 -1.55 0.91 116.94 119.85 1vee h PHE 33 Ca 0.05 0.00 -0.30 0.00 2.81 0.00 0.00 57.97 60.53 1vee h PHE 33 Cb 0.21 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.71 1vee h PHE 33 CO 0.00 0.00 -2.11 0.54 -1.61 0.00 0.00 178.31 175.13 1vee n ARG 34 N -2.97 1.08 0.03 1.51 1.74 0.17 -3.22 116.66 115.00 1vee n ARG 34 Ca -0.03 0.04 -0.19 0.00 -0.77 0.00 0.00 57.85 56.90 1vee n ARG 34 Cb 0.06 -1.41 -0.13 0.00 -1.02 0.00 0.00 32.46 29.97 1vee n ARG 34 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1vee h GLN 35 N 0.00 0.38 0.00 5.56 1.08 -0.51 -3.40 115.11 118.21 1vee h GLN 35 Ca -0.44 -0.51 -0.09 0.00 -1.45 0.00 0.00 58.65 56.16 1vee h GLN 35 Cb 1.88 0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 29.46 1vee h GLN 35 CO -0.01 1.19 -1.51 1.55 -0.95 0.00 0.00 178.83 179.10 1vee n VAL 36 N -4.14 0.33 0.00 -0.54 3.14 0.24 -4.79 118.33 112.57 1vee n VAL 36 Ca -0.12 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 60.96 1vee n VAL 36 Cb 0.77 -0.32 0.00 0.00 -1.06 0.00 0.00 33.84 33.23 1vee n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1vee n GLY 37 N 2.27 -1.10 3.19 7.55 0.00 -0.89 -4.15 105.19 112.07 1vee n GLY 37 Ca -0.09 -2.11 -0.09 0.00 0.00 0.00 0.00 46.02 43.73 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 0.26 0.41 1.61 0.01 -0.94 -4.16 113.70 106.89 1vee s SER 38 Ca 0.00 -0.97 -0.23 0.00 1.31 0.00 0.00 55.95 56.05 1vee s SER 38 Cb 0.00 0.31 -0.09 0.00 0.21 0.00 0.00 66.02 66.45 1vee s SER 38 CO 0.00 -0.73 1.06 -2.16 0.41 0.00 0.00 173.24 171.81 1vee s PRO 39 N -3.96 4.09 -0.92 12.44 0.04 -1.26 -1.26 135.00 144.16 1vee s PRO 39 Ca 0.15 1.52 -0.02 0.00 0.04 0.00 0.00 61.00 62.69 1vee s PRO 39 Cb 0.06 -2.48 0.25 0.00 0.04 0.00 0.00 34.50 32.37 1vee s PRO 39 CO -0.04 -0.21 0.97 0.27 0.04 0.00 0.00 177.00 178.03 1vee n ASN 40 N -0.20 4.77 -0.33 6.66 2.04 -1.26 -4.80 115.26 122.13 1vee n ASN 40 Ca 0.06 -3.24 0.09 0.00 -0.44 0.00 0.00 54.58 51.05 1vee n ASN 40 Cb 0.50 -1.07 0.39 0.00 -2.53 0.00 0.00 39.78 37.06 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 1.88 0.15 -0.21 1.53 -5.35 -1.26 -4.33 119.36 111.77 1vee n ILE 41 Ca 0.24 -0.21 0.18 0.00 -0.27 0.00 0.00 62.75 62.69 1vee n ILE 41 Cb 0.37 0.10 0.51 0.00 -1.74 0.00 0.00 39.64 38.88 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 1.26 0.39 -0.10 6.28 1.57 -1.89 -1.48 116.57 122.60 1vee h LYS 42 Ca 0.00 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1vee h LYS 42 Cb 0.28 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1vee h LYS 42 CO 0.00 0.26 0.07 0.78 -0.57 0.00 0.00 179.45 179.99 1vee h GLY 43 N 0.40 0.09 2.00 3.86 0.00 -1.90 0.15 103.07 107.68 1vee h GLY 43 Ca 0.42 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 1vee h GLY 43 CO -0.15 0.03 -0.09 1.41 0.00 0.00 0.00 176.54 177.74 1vee h LEU 44 N 0.09 0.00 -0.35 3.11 3.38 -1.61 -3.47 115.31 116.45 1vee h LEU 44 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1vee h LEU 44 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1vee h LEU 44 CO -0.01 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.23 1vee n GLY 45 N 0.97 1.04 3.50 0.83 0.00 0.04 -4.96 105.19 106.61 1vee n GLY 45 Ca 0.03 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.17 1.75 -0.06 1.61 -0.14 -1.21 -5.02 119.74 114.50 1vee s LYS 46 Ca 0.00 -1.99 -0.04 0.00 -1.36 0.00 0.00 55.97 52.57 1vee s LYS 46 Cb 0.00 -1.00 0.02 0.00 -1.68 0.00 0.00 37.83 35.17 1vee s LYS 46 CO 0.00 -0.20 0.14 0.21 -0.76 0.00 0.00 175.35 174.75 1vee s LYS 47 N -3.85 0.15 0.83 1.68 2.20 -1.26 -3.69 119.74 115.80 1vee s LYS 47 Ca 0.34 0.24 -0.12 0.00 -0.36 0.00 0.00 55.97 56.07 1vee s LYS 47 Cb 0.08 0.02 0.09 0.00 -1.51 0.00 0.00 37.83 36.51 1vee s LYS 47 CO 0.15 -0.05 1.12 0.00 -0.36 0.00 0.00 175.35 176.21 1vee s ALA 48 N 0.33 2.21 -0.38 3.13 0.00 -1.26 -4.26 121.76 121.52 1vee s ALA 48 Ca -0.02 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.57 1vee s ALA 48 Cb -0.03 -3.06 0.12 0.00 0.00 0.00 0.00 23.12 20.15 1vee s ALA 48 CO -0.01 -1.84 0.17 0.08 0.00 0.00 0.00 175.76 174.16 1vee s VAL 49 N -3.27 1.23 0.01 0.00 1.01 -0.16 -4.94 120.40 114.28 1vee s VAL 49 Ca 0.62 -2.10 -0.30 0.00 0.00 0.00 0.00 61.98 60.20 1vee s VAL 49 Cb -0.14 -1.89 -0.08 0.00 0.00 0.00 0.00 36.38 34.28 1vee s VAL 49 CO 0.53 -0.80 1.87 -0.55 0.00 0.00 0.00 175.10 176.15 1vee s SER 50 N 0.87 6.50 -0.33 3.32 0.15 -1.26 -3.54 113.70 119.40 1vee s SER 50 Ca 0.14 2.53 0.03 0.00 0.70 0.00 0.00 55.95 59.35 1vee s SER 50 Cb -0.22 -2.53 0.16 0.00 -1.71 0.00 0.00 66.02 61.73 1vee s SER 50 CO -0.09 -1.03 0.44 -0.89 1.20 0.00 0.00 173.24 172.87 1vee s THR 51 N 4.38 -0.61 0.06 6.45 2.01 -0.85 -4.99 115.64 122.09 1vee s THR 51 Ca 0.84 -0.45 -0.30 0.00 0.31 0.00 0.00 61.69 62.08 1vee s THR 51 Cb -0.40 -0.75 -0.09 0.00 0.01 0.00 0.00 72.50 71.28 1vee s THR 51 CO 0.38 -0.33 1.83 -0.69 -0.69 0.00 0.00 174.62 175.12 1vee s VAL 52 N 2.11 2.90 0.57 3.82 1.01 -1.26 -4.10 120.40 125.45 1vee s VAL 52 Ca 0.13 0.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.13 1vee s VAL 52 Cb -0.12 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1vee s VAL 52 CO -0.19 -0.01 1.04 -0.47 0.00 0.00 0.00 175.10 175.47 1vee s TYR 53 N 3.48 3.10 -0.14 5.22 5.04 -1.14 -5.03 117.35 127.88 1vee s TYR 53 Ca 0.82 1.51 -0.07 0.00 -2.44 0.00 0.00 57.07 56.89 1vee s TYR 53 Cb -0.42 -2.96 0.06 0.00 0.35 0.00 0.00 41.96 38.98 1vee s TYR 53 CO 0.37 -0.92 0.33 1.21 -1.34 0.00 0.00 175.55 175.20 1vee s ASN 54 N -2.78 -0.25 0.16 4.32 3.84 -1.26 -5.04 114.94 113.93 1vee s ASN 54 Ca 0.63 0.72 0.24 0.00 0.21 0.00 0.00 52.86 54.66 1vee s ASN 54 Cb -0.15 0.69 0.91 0.00 -0.55 0.00 0.00 41.25 42.15 1vee s ASN 54 CO 0.34 -0.19 1.73 0.61 -2.79 0.00 0.00 177.10 176.80 1vee n GLY 55 N 4.55 -1.42 0.13 1.21 0.00 -1.26 -2.89 105.19 105.52 1vee n GLY 55 Ca -0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 1vee n GLY 55 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vee n GLU 56 N -2.03 0.72 -0.70 1.61 -0.58 -1.26 -4.25 120.64 114.16 1vee n GLU 56 Ca 0.04 0.28 -0.12 0.00 -0.42 0.00 0.00 57.16 56.94 1vee n GLU 56 Cb 0.31 -1.69 0.12 0.00 -0.57 0.00 0.00 31.44 29.61 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 -3.58 3.47 -0.28 1.62 2.03 -1.22 -4.70 116.55 113.89 1vee n ASP 57 Ca -0.34 -2.90 -0.03 0.00 0.52 0.00 0.00 54.79 52.04 1vee n ASP 57 Cb 1.00 -0.69 0.03 0.00 -0.72 0.00 0.00 41.12 40.73 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 0.76 -0.08 -0.03 -0.67 1.57 -1.70 0.21 116.57 116.62 1vee h LYS 58 Ca 0.34 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1vee h LYS 58 Cb 2.03 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 34.36 1vee h LYS 58 CO 0.62 -0.05 0.01 -1.00 -0.57 0.00 0.00 179.45 178.45 1vee h PRO 59 N -0.08 0.04 0.00 3.15 0.13 -1.91 -2.49 132.00 130.84 1vee h PRO 59 Ca 0.29 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.40 1vee h PRO 59 Cb 0.57 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.70 1vee h PRO 59 CO -0.82 0.18 -0.07 0.78 -0.23 0.00 0.00 178.00 177.84 1vee h GLY 60 N -0.11 0.00 0.62 1.56 0.00 -1.71 -2.65 103.07 100.78 1vee h GLY 60 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 1vee h GLY 60 CO -0.00 0.00 -0.06 -2.75 0.00 0.00 0.00 176.54 173.73 1vee h PHE 61 N 0.00 0.19 -0.90 5.60 3.57 -0.44 -3.25 116.94 121.70 1vee h PHE 61 Ca -0.00 -0.05 0.13 0.00 3.53 0.00 0.00 57.97 61.58 1vee h PHE 61 Cb 0.13 -0.04 -0.09 0.00 2.79 0.00 0.00 35.95 38.75 1vee h PHE 61 CO 0.00 0.59 0.51 -0.07 -2.23 0.00 0.00 178.31 177.12 1vee h LEU 62 N -0.27 0.69 -1.68 0.59 3.38 -1.08 -1.20 115.31 115.74 1vee h LEU 62 Ca 0.01 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1vee h LEU 62 Cb 0.56 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1vee h LEU 62 CO 0.02 0.33 0.25 0.11 0.09 0.00 0.00 178.44 179.24 1vee h LYS 63 N 0.77 0.40 0.00 1.13 1.57 -1.57 -1.65 116.57 117.23 1vee h LYS 63 Ca 0.47 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1vee h LYS 63 Cb 0.57 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1vee h LYS 63 CO -0.31 0.27 0.00 0.87 -0.57 0.00 0.00 179.45 179.71 1vee h LYS 64 N 0.42 0.00 0.00 3.15 1.57 -1.30 -2.26 116.57 118.14 1vee h LYS 64 Ca 0.15 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.59 1vee h LYS 64 Cb 0.10 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.34 1vee h LYS 64 CO -0.04 0.00 -2.29 1.28 -0.57 0.00 0.00 179.45 177.83 1vee n LEU 65 N -2.52 2.26 0.30 2.94 7.99 -0.63 -4.42 117.00 122.91 1vee n LEU 65 Ca -0.02 -0.09 0.15 0.00 -0.01 0.00 0.00 56.01 56.04 1vee n LEU 65 Cb 0.05 -0.50 0.91 0.00 -0.11 0.00 0.00 43.42 43.76 1vee n LEU 65 CO 0.13 0.78 1.11 0.28 -1.51 0.00 0.00 177.39 178.18 1vee h SER 66 N 0.00 0.00 0.38 -1.43 0.02 -1.25 0.25 113.55 111.52 1vee h SER 66 Ca -0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1vee h SER 66 Cb 1.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.41 1vee h SER 66 CO -0.05 0.01 0.00 0.00 -1.14 0.00 0.00 176.83 175.65 1vee n LEU 67 N -3.82 0.00 0.00 5.07 -0.00 -1.09 -3.71 117.00 113.45 1vee n LEU 67 Ca -0.03 0.30 0.00 0.00 -0.00 0.00 0.00 56.01 56.28 1vee n LEU 67 Cb 0.09 -0.30 0.00 0.00 -0.00 0.00 0.00 43.42 43.21 1vee n LEU 67 CO 0.28 -0.11 -0.49 2.29 -0.00 0.00 0.00 177.39 179.36 1vee n LYS 68 N -1.30 0.00 -2.46 1.47 -0.00 -0.29 -4.96 118.16 110.62 1vee n LYS 68 Ca 0.09 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.98 1vee n LYS 68 Cb 0.16 -0.50 -0.03 0.00 -0.00 0.00 0.00 35.03 34.66 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 -2.00 2.33 0.21 5.58 0.08 -0.08 -4.85 117.98 119.24 1vee s PHE 69 Ca 0.00 0.34 0.18 0.00 0.12 0.00 0.00 56.93 57.57 1vee s PHE 69 Cb 0.00 -4.47 0.71 0.00 -0.57 0.00 0.00 43.02 38.69 1vee s PHE 69 CO 0.00 -1.93 1.75 1.57 -0.10 0.00 0.00 175.22 176.52 1vee h LYS 70 N 10.64 0.00 -2.05 0.44 2.10 -1.88 -3.37 116.57 122.44 1vee h LYS 70 Ca -0.27 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 57.81 1vee h LYS 70 Cb 1.08 0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 32.01 1vee h LYS 70 CO 1.21 0.38 -0.97 -0.40 -2.00 0.00 0.00 179.45 177.67 1vee n ASP 71 N -3.61 1.18 0.27 7.07 5.75 -1.26 -4.96 116.55 120.99 1vee n ASP 71 Ca -0.01 -2.90 0.17 0.00 -0.01 0.00 0.00 54.79 52.04 1vee n ASP 71 Cb 0.49 -0.65 0.92 0.00 -1.03 0.00 0.00 41.12 40.86 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 4.04 0.00 0.00 0.11 0.13 -1.88 -2.67 132.00 131.73 1vee h PRO 72 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1vee h PRO 72 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1vee h PRO 72 CO 0.57 0.00 0.28 0.93 -0.23 0.00 0.00 178.00 179.55 1vee h GLU 73 N 0.00 0.00 0.00 0.86 5.08 -1.90 -0.24 114.58 118.39 1vee h GLU 73 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1vee h GLU 73 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1vee h GLU 73 CO -0.00 0.00 0.00 0.27 -1.00 0.00 0.00 179.01 178.28 1vee n ASN 74 N -2.66 0.16 -4.67 1.42 0.23 -1.01 -4.14 115.26 104.59 1vee n ASN 74 Ca -0.02 -0.61 -0.43 0.00 -0.53 0.00 0.00 54.58 52.99 1vee n ASN 74 Cb 0.32 0.13 -0.02 0.00 -2.08 0.00 0.00 39.78 38.13 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 -0.13 4.34 -0.21 5.53 2.01 -0.74 -4.79 115.64 121.65 1vee s THR 75 Ca 0.00 1.63 -0.20 0.00 0.31 0.00 0.00 61.69 63.43 1vee s THR 75 Cb 0.00 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 1vee s THR 75 CO 0.00 -0.10 0.62 -0.89 -0.69 0.00 0.00 174.62 173.56 1vee s THR 76 N 3.02 5.02 -0.51 -0.82 2.01 -1.26 -3.67 115.64 119.43 1vee s THR 76 Ca 0.54 1.15 -0.13 0.00 0.31 0.00 0.00 61.69 63.55 1vee s THR 76 Cb -0.22 -3.93 0.12 0.00 0.01 0.00 0.00 72.50 68.49 1vee s THR 76 CO 0.16 0.10 0.43 -0.76 -0.69 0.00 0.00 174.62 173.86 1vee s LEU 77 N 2.01 5.97 -0.59 4.42 1.43 -0.47 -1.86 118.68 129.59 1vee s LEU 77 Ca 0.28 -1.82 -0.28 0.00 -1.03 0.00 0.00 54.13 51.27 1vee s LEU 77 Cb -0.16 -2.13 0.03 0.00 0.03 0.00 0.00 46.19 43.96 1vee s LEU 77 CO 0.10 -0.79 1.25 -0.31 0.23 0.00 0.00 176.35 176.83 1vee s TYR 78 N 1.51 2.51 -0.05 0.29 2.02 -0.63 -1.95 117.35 121.04 1vee s TYR 78 Ca 0.04 0.39 -0.26 0.00 -0.37 0.00 0.00 57.07 56.87 1vee s TYR 78 Cb -0.28 -4.50 -0.03 0.00 -0.40 0.00 0.00 41.96 36.75 1vee s TYR 78 CO 0.02 -1.72 0.83 0.42 -1.57 0.00 0.00 175.55 173.53 1vee s ILE 79 N 5.26 4.95 -0.10 2.71 1.01 -0.21 -0.28 121.20 134.54 1vee s ILE 79 Ca 0.45 1.72 0.02 0.00 0.00 0.00 0.00 60.65 62.84 1vee s ILE 79 Cb -0.08 -4.17 0.01 0.00 0.01 0.00 0.00 42.46 38.23 1vee s ILE 79 CO 0.25 0.18 -0.15 -0.22 0.00 0.00 0.00 174.94 175.00 1vee s LEU 80 N 1.07 1.71 0.42 2.97 2.96 -0.56 -2.37 118.68 124.87 1vee s LEU 80 Ca 0.44 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.96 1vee s LEU 80 Cb -0.19 -1.07 -0.03 0.00 0.50 0.00 0.00 46.19 45.41 1vee s LEU 80 CO 0.21 0.02 0.10 -0.62 -1.32 0.00 0.00 176.35 174.74 1vee s ASP 81 N 0.96 2.98 0.09 3.68 -1.08 -1.26 -1.02 116.67 121.02 1vee s ASP 81 Ca -0.07 -1.65 -0.26 0.00 -0.52 0.00 0.00 52.55 50.05 1vee s ASP 81 Cb -0.15 0.45 -0.14 0.00 -1.46 0.00 0.00 42.92 41.63 1vee s ASP 81 CO -0.01 -0.89 1.69 0.07 0.52 0.00 0.00 175.17 176.55 1vee h LYS 82 N 1.74 -0.32 -4.76 4.34 2.10 -1.93 -2.95 116.57 114.79 1vee h LYS 82 Ca -0.37 0.02 -0.43 0.00 -2.00 0.00 0.00 60.65 57.87 1vee h LYS 82 Cb 1.28 0.07 -0.12 0.00 -0.90 0.00 0.00 32.23 32.56 1vee h LYS 82 CO 0.61 -0.22 -0.45 -0.06 -2.00 0.00 0.00 179.45 177.33 1vee s PHE 83 N -6.13 1.62 0.04 0.07 0.08 -1.26 -1.01 117.98 111.39 1vee s PHE 83 Ca -0.15 -1.60 -0.06 0.00 0.12 0.00 0.00 56.93 55.25 1vee s PHE 83 Cb 0.06 -0.61 0.02 0.00 -0.57 0.00 0.00 43.02 41.92 1vee s PHE 83 CO 0.65 -0.91 0.34 -0.25 -0.10 0.00 0.00 175.22 174.96 1vee n ASP 84 N -1.48 -0.19 0.00 1.36 8.00 -1.26 -4.49 116.55 118.49 1vee n ASP 84 Ca 0.06 0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.96 1vee n ASP 84 Cb 0.62 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 1vee n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vee n GLY 85 N -1.08 1.18 0.07 0.44 0.00 -1.26 -1.90 105.19 102.64 1vee n GLY 85 Ca 0.01 0.75 0.03 0.00 0.00 0.00 0.00 46.02 46.81 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 3.42 1.59 -0.34 1.61 3.02 -1.26 -4.85 115.26 118.46 1vee n ASN 86 Ca 0.00 -2.17 0.13 0.00 -0.03 0.00 0.00 54.58 52.51 1vee n ASN 86 Cb 0.00 -0.15 0.34 0.00 -0.61 0.00 0.00 39.78 39.36 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 0.75 -0.22 6.41 0.02 -1.70 0.47 113.55 119.27 1vee h SER 87 Ca 0.00 0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 1vee h SER 87 Cb 0.82 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 1vee h SER 87 CO 0.00 0.30 -0.30 -0.33 -1.14 0.00 0.00 176.83 175.36 1vee h GLU 88 N 0.75 0.59 -0.04 3.45 5.08 -1.88 -1.34 114.58 121.18 1vee h GLU 88 Ca 0.55 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1vee h GLU 88 Cb 0.87 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 1vee h GLU 88 CO -0.33 0.95 0.03 1.25 -1.00 0.00 0.00 179.01 179.91 1vee h LEU 89 N 0.28 0.05 -1.27 1.33 7.12 -1.57 -1.92 115.31 119.32 1vee h LEU 89 Ca 0.02 -0.01 -0.05 0.00 0.13 0.00 0.00 57.88 57.97 1vee h LEU 89 Cb 0.88 -0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.98 1vee h LEU 89 CO 0.07 0.05 -0.03 0.58 -0.13 0.00 0.00 178.44 178.98 1vee h VAL 90 N 0.04 1.19 -0.44 1.05 2.07 -0.98 0.02 116.25 119.20 1vee h VAL 90 Ca 0.02 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1vee h VAL 90 Cb 0.01 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1vee h VAL 90 CO -0.00 0.26 0.23 0.00 0.02 0.00 0.00 177.57 178.07 1vee h ALA 91 N 1.54 0.57 -0.11 1.67 0.00 -0.61 -2.20 119.26 120.13 1vee h ALA 91 Ca 0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1vee h ALA 91 Cb 0.33 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1vee h ALA 91 CO 0.01 0.12 -0.08 0.93 0.00 0.00 0.00 179.25 180.23 1vee h GLU 92 N 0.58 0.25 -0.12 0.00 5.08 -0.97 -3.01 114.58 116.38 1vee h GLU 92 Ca 0.15 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1vee h GLU 92 Cb 0.09 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 1vee h GLU 92 CO -0.02 0.62 -0.44 1.25 -1.00 0.00 0.00 179.01 179.43 1vee h LEU 93 N -0.13 -1.39 -0.90 1.33 5.85 -0.85 0.44 115.31 119.66 1vee h LEU 93 Ca 0.02 0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 1vee h LEU 93 Cb 0.56 0.54 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1vee h LEU 93 CO 0.02 -0.38 0.29 -0.37 -0.34 0.00 0.00 178.44 177.66 1vee h VAL 94 N -0.46 1.25 0.08 1.05 -1.51 -1.53 -1.55 116.25 113.58 1vee h VAL 94 Ca 0.03 -0.78 -0.00 0.00 -1.23 0.00 0.00 66.70 64.71 1vee h VAL 94 Cb 0.54 0.37 0.00 0.00 -2.13 0.00 0.00 31.29 30.07 1vee h VAL 94 CO -0.36 0.32 -0.04 0.00 -1.23 0.00 0.00 177.57 176.26 1vee h ALA 95 N 1.25 -0.11 -0.59 5.19 0.00 -1.32 0.45 119.26 124.13 1vee h ALA 95 Ca 0.25 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1vee h ALA 95 Cb 0.20 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1vee h ALA 95 CO -0.02 -0.53 0.23 -0.07 0.00 0.00 0.00 179.25 178.87 1vee h LEU 96 N -0.19 0.82 -0.45 0.00 4.07 -0.85 -3.19 115.31 115.51 1vee h LEU 96 Ca -0.01 -0.17 -0.00 0.00 0.08 0.00 0.00 57.88 57.77 1vee h LEU 96 Cb 0.15 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 1vee h LEU 96 CO 0.02 0.77 0.27 0.78 -1.08 0.00 0.00 178.44 179.20 1vee h ASN 97 N 0.82 0.54 0.00 -0.43 2.35 -1.07 -3.46 115.58 114.34 1vee h ASN 97 Ca 0.20 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1vee h ASN 97 Cb 0.21 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1vee h ASN 97 CO -0.02 0.44 0.00 0.61 -1.65 0.00 0.00 177.43 176.81 1vee n GLY 98 N -1.10 0.00 3.79 2.83 0.00 -0.62 -5.09 105.19 104.99 1vee n GLY 98 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 2.80 0.02 1.61 0.40 0.05 -3.77 117.98 119.09 1vee s PHE 99 Ca 0.00 1.52 -0.12 0.00 -0.60 0.00 0.00 56.93 57.74 1vee s PHE 99 Cb 0.00 -3.07 -0.06 0.00 0.51 0.00 0.00 43.02 40.40 1vee s PHE 99 CO 0.00 -1.45 1.18 -0.22 0.70 0.00 0.00 175.22 175.43 1vee h LYS 100 N -0.04 -0.38 -3.08 0.44 1.63 -1.14 -3.38 116.57 110.60 1vee h LYS 100 Ca -0.46 0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.41 1vee h LYS 100 Cb 1.23 0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 32.90 1vee h LYS 100 CO 0.55 -0.26 0.19 -1.12 -3.45 0.00 0.00 179.45 175.37 1vee s SER 101 N -2.71 -0.22 0.14 4.20 0.01 -1.26 -4.90 113.70 108.98 1vee s SER 101 Ca -0.06 -0.68 -0.09 0.00 1.31 0.00 0.00 55.95 56.43 1vee s SER 101 Cb 0.01 0.72 -0.01 0.00 0.21 0.00 0.00 66.02 66.95 1vee s SER 101 CO 0.19 -1.35 0.26 0.00 0.41 0.00 0.00 173.24 172.75 1vee s ALA 102 N -3.83 -0.05 -0.07 1.44 0.00 -1.26 -1.37 121.76 116.62 1vee s ALA 102 Ca 0.13 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.27 1vee s ALA 102 Cb -0.05 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.85 1vee s ALA 102 CO 0.08 -0.61 -0.03 0.71 0.00 0.00 0.00 175.76 175.91 1vee s TYR 103 N -3.94 0.86 -0.58 0.00 2.02 -0.82 -4.63 117.35 110.26 1vee s TYR 103 Ca 0.14 -0.29 -0.25 0.00 -0.37 0.00 0.00 57.07 56.30 1vee s TYR 103 Cb 0.04 -0.84 0.04 0.00 -0.40 0.00 0.00 41.96 40.80 1vee s TYR 103 CO -0.03 -0.31 1.02 0.00 -1.57 0.00 0.00 175.55 174.65 1vee s ALA 104 N 1.55 3.09 -0.37 3.71 0.00 -0.77 -1.04 121.76 127.92 1vee s ALA 104 Ca -0.01 -1.23 -0.28 0.00 0.00 0.00 0.00 51.96 50.44 1vee s ALA 104 Cb -0.13 -3.85 -0.01 0.00 0.00 0.00 0.00 23.12 19.13 1vee s ALA 104 CO -0.04 -2.55 1.67 0.42 0.00 0.00 0.00 175.76 175.26 1vee s ILE 105 N 4.30 3.62 0.55 0.00 1.09 -1.00 -3.43 121.20 126.33 1vee s ILE 105 Ca 0.32 0.62 -0.22 0.00 -1.10 0.00 0.00 60.65 60.28 1vee s ILE 105 Cb -0.12 -3.86 -0.05 0.00 -1.06 0.00 0.00 42.46 37.38 1vee s ILE 105 CO 0.19 -0.56 1.37 1.17 -0.10 0.00 0.00 174.94 177.01 1vee n LYS 106 N 8.35 1.68 -0.71 2.79 3.00 -1.26 -2.62 118.16 129.39 1vee n LYS 106 Ca 0.20 0.62 0.00 0.00 -0.00 0.00 0.00 58.31 59.14 1vee n LYS 106 Cb 0.47 -2.59 0.00 0.00 0.00 0.00 0.00 35.03 32.91 1vee n LYS 106 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1vee n ASP 107 N -1.09 -1.30 0.00 3.14 9.92 -1.26 -4.18 116.55 121.77 1vee n ASP 107 Ca 0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1vee n ASP 107 Cb 0.45 -2.16 0.00 0.00 -0.64 0.00 0.00 41.12 38.76 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 -1.48 1.85 0.00 0.44 0.00 -1.08 -1.63 105.19 103.30 1vee n GLY 108 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 9.89 1.47 0.20 4.61 0.00 -0.20 -0.87 120.51 135.62 1vee n ALA 109 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1vee n ALA 109 Cb 0.00 0.11 0.05 0.00 0.00 0.00 0.00 19.45 19.61 1vee n ALA 109 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1vee h GLU 110 N 0.00 0.00 -7.44 0.00 5.08 -1.12 -3.30 114.58 107.80 1vee h GLU 110 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 1vee h GLU 110 Cb 0.46 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.79 1vee h GLU 110 CO 0.00 0.00 0.40 0.20 -1.00 0.00 0.00 179.01 178.61 1vee s GLY 111 N -4.23 1.63 0.60 -3.84 0.00 -0.64 -4.91 107.32 95.94 1vee s GLY 111 Ca 0.02 -0.26 0.29 0.00 0.00 0.00 0.00 44.72 44.77 1vee s GLY 111 CO 0.76 0.11 2.05 -0.56 0.00 0.00 0.00 173.10 175.46 1vee h PRO 112 N -0.71 0.00 -0.05 2.90 0.13 -1.92 0.56 132.00 132.91 1vee h PRO 112 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1vee h PRO 112 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1vee h PRO 112 CO 0.62 0.00 0.00 -2.13 -0.23 0.00 0.00 178.00 176.26 1vee n ARG 113 N -3.67 1.30 -1.42 0.86 3.00 -1.26 -4.46 116.66 111.00 1vee n ARG 113 Ca 0.03 -1.50 -0.30 0.00 -0.00 0.00 0.00 57.85 56.08 1vee n ARG 113 Cb 0.39 -1.31 0.10 0.00 0.00 0.00 0.00 32.46 31.64 1vee n ARG 113 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1vee s GLY 114 N -1.30 1.63 0.03 5.14 0.00 0.19 -4.42 107.32 108.59 1vee s GLY 114 Ca 0.19 -0.07 -0.05 0.00 0.00 0.00 0.00 44.72 44.80 1vee s GLY 114 CO 0.20 0.35 0.58 1.87 0.00 0.00 0.00 173.10 176.10 1vee n TRP 115 N -3.52 -0.07 0.08 1.90 -0.00 -0.05 -0.24 117.44 115.54 1vee n TRP 115 Ca 0.07 0.21 -0.15 0.00 -0.00 0.00 0.00 57.50 57.64 1vee n TRP 115 Cb 0.55 -0.35 -0.09 0.00 -0.00 0.00 0.00 31.31 31.42 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 -1.48 0.00 5.87 3.38 -1.84 -1.84 115.31 119.39 1vee h LEU 116 Ca 0.03 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1vee h LEU 116 Cb 0.07 0.55 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1vee h LEU 116 CO -0.16 -0.50 0.00 0.59 0.09 0.00 0.00 178.44 178.46 1vee n ASN 117 N -5.20 0.00 -0.57 -0.43 3.02 -0.70 -2.87 115.26 108.52 1vee n ASN 117 Ca -0.07 0.26 0.07 0.00 -0.03 0.00 0.00 54.58 54.80 1vee n ASN 117 Cb 0.37 -0.37 0.23 0.00 -0.61 0.00 0.00 39.78 39.39 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 -1.37 1.67 -2.28 6.41 2.88 0.67 -4.76 113.62 116.84 1vee n SER 118 Ca 0.05 -1.90 -0.10 0.00 -1.33 0.00 0.00 58.87 55.59 1vee n SER 118 Cb 0.13 -0.18 0.05 0.00 -0.75 0.00 0.00 64.21 63.46 1vee n SER 118 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1vee n SER 119 N 0.38 -2.66 -4.41 -3.46 2.88 -1.14 -4.74 113.62 100.48 1vee n SER 119 Ca 0.13 -0.33 -0.23 0.00 -1.33 0.00 0.00 58.87 57.11 1vee n SER 119 Cb 0.28 -3.00 -0.11 0.00 -0.75 0.00 0.00 64.21 60.63 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 -4.39 2.51 0.76 2.46 1.43 -1.23 -5.09 118.68 115.14 1vee s LEU 120 Ca 0.09 -0.94 -0.12 0.00 -1.03 0.00 0.00 54.13 52.13 1vee s LEU 120 Cb -0.04 -0.99 0.05 0.00 0.03 0.00 0.00 46.19 45.24 1vee s LEU 120 CO 0.40 0.01 1.11 -2.16 0.23 0.00 0.00 176.35 175.94 1vee s PRO 121 N -3.13 2.37 -0.29 1.29 0.04 -1.26 -4.71 135.00 129.31 1vee s PRO 121 Ca 0.23 0.45 -0.19 0.00 0.04 0.00 0.00 61.00 61.53 1vee s PRO 121 Cb -0.05 -1.97 0.13 0.00 0.04 0.00 0.00 34.50 32.65 1vee s PRO 121 CO 0.10 -1.38 0.98 -0.46 0.04 0.00 0.00 177.00 176.29 1vee s TRP 122 N -3.32 -0.56 -1.05 0.56 -0.11 -1.26 -4.47 118.94 108.73 1vee s TRP 122 Ca 0.60 1.20 -0.23 0.00 1.22 0.00 0.00 56.10 58.89 1vee s TRP 122 Cb -0.12 0.37 -0.00 0.00 -1.50 0.00 0.00 33.47 32.22 1vee s TRP 122 CO 0.52 -0.28 1.74 0.42 -4.62 0.00 0.00 176.95 174.74 1vee s ILE 123 N 0.94 3.73 0.45 5.86 1.01 -0.39 -4.94 121.20 127.87 1vee s ILE 123 Ca -0.04 -0.83 -0.20 0.00 0.00 0.00 0.00 60.65 59.57 1vee s ILE 123 Cb -0.04 -4.65 -0.10 0.00 0.01 0.00 0.00 42.46 37.68 1vee s ILE 123 CO -0.12 -1.47 0.97 -1.61 0.00 0.00 0.00 174.94 172.71 1vee s GLU 124 N 5.79 4.10 0.26 2.79 0.41 -1.26 -2.23 118.70 128.57 1vee s GLU 124 Ca 0.59 1.15 -0.03 0.00 -0.41 0.00 0.00 54.97 56.27 1vee s GLU 124 Cb -0.02 -2.16 0.06 0.00 -1.78 0.00 0.00 34.13 30.23 1vee s GLU 124 CO -0.00 -0.14 0.36 -0.35 -0.49 0.00 0.00 175.26 174.63 1vee n PRO 125 N -0.82 -0.10 -0.63 0.39 -0.04 -1.26 -4.95 135.00 127.59 1vee n PRO 125 Ca 0.07 -0.68 -0.31 0.00 -0.04 0.00 0.00 63.50 62.55 1vee n PRO 125 Cb 0.54 -0.33 0.19 0.00 -0.04 0.00 0.00 33.50 33.86 1vee n PRO 125 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1vee n LYS 126 N -1.73 -1.43 -4.43 0.54 -0.00 -1.26 -5.05 118.16 104.81 1vee n LYS 126 Ca 0.05 -0.38 -0.22 0.00 -0.00 0.00 0.00 58.31 57.76 1vee n LYS 126 Cb 0.17 -2.03 -0.10 0.00 -0.00 0.00 0.00 35.03 33.07 1vee n LYS 126 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1vee s LYS 127 N -4.05 1.54 0.26 -1.58 -0.14 -1.26 -5.08 119.74 109.43 1vee s LYS 127 Ca 0.63 -1.73 0.02 0.00 -1.36 0.00 0.00 55.97 53.53 1vee s LYS 127 Cb -0.21 -1.39 -0.04 0.00 -1.68 0.00 0.00 37.83 34.52 1vee s LYS 127 CO 0.64 0.19 0.17 0.99 -0.76 0.00 0.00 175.35 176.58 1vee s THR 128 N -2.80 0.12 -0.57 2.17 2.01 -1.26 -5.12 115.64 110.19 1vee s THR 128 Ca 0.27 -2.00 0.04 0.00 0.31 0.00 0.00 61.69 60.32 1vee s THR 128 Cb -0.01 -2.51 0.17 0.00 0.01 0.00 0.00 72.50 70.16 1vee s THR 128 CO 0.12 0.00 0.42 -0.94 -0.69 0.00 0.00 174.62 173.53 1vee s SER 129 N -3.27 3.37 0.25 3.53 1.04 -1.26 -5.06 113.70 112.30 1vee s SER 129 Ca 0.38 -3.49 0.02 0.00 0.48 0.00 0.00 55.95 53.35 1vee s SER 129 Cb 0.05 -1.12 -0.01 0.00 0.10 0.00 0.00 66.02 65.05 1vee s SER 129 CO 0.17 -0.13 0.29 0.61 0.98 0.00 0.00 173.24 175.16 1vee n GLY 130 N 2.39 2.77 3.81 7.32 0.00 -1.26 -5.16 105.19 115.05 1vee n GLY 130 Ca 0.24 -1.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 1vee n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vee s PRO 131 N -2.79 3.35 -0.05 1.61 0.04 -1.26 -4.99 135.00 130.91 1vee s PRO 131 Ca 0.25 1.18 0.02 0.00 0.04 0.00 0.00 61.00 62.49 1vee s PRO 131 Cb 0.00 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1vee s PRO 131 CO 0.18 -0.78 -0.02 0.43 0.04 0.00 0.00 177.00 176.85 1vee n SER 132 N -2.03 3.73 -4.05 6.66 7.64 -1.26 -5.07 113.62 119.24 1vee n SER 132 Ca 0.09 -0.02 -0.08 0.00 1.01 0.00 0.00 58.87 59.86 1vee n SER 132 Cb 0.53 0.23 -0.10 0.00 -1.01 0.00 0.00 64.21 63.85 1vee n SER 132 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1vee s SER 133 N -4.08 0.48 0.00 6.43 0.15 -1.26 -5.33 113.70 110.08 1vee s SER 133 Ca -0.05 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 55.82 1vee s SER 133 Cb 0.02 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1vee s SER 133 CO 0.15 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.75