#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 0.60 0.23 1.61 7.64 -1.26 -4.91 113.62 117.52 1vee n SER 2 Ca 0.00 -2.01 0.08 0.00 1.01 0.00 0.00 58.87 57.96 1vee n SER 2 Cb 0.00 -0.17 0.54 0.00 -1.01 0.00 0.00 64.21 63.57 1vee n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1vee h SER 3 N 0.95 0.00 -4.14 6.43 0.87 -2.04 -3.44 113.55 112.17 1vee h SER 3 Ca -0.29 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 59.81 1vee h SER 3 Cb 1.73 0.00 0.14 0.00 -0.44 0.00 0.00 62.40 63.83 1vee h SER 3 CO 0.02 0.23 0.28 -0.83 -0.53 0.00 0.00 176.83 176.00 1vee s GLY 4 N -4.25 1.58 -0.36 5.77 0.00 -1.26 -5.04 107.32 103.76 1vee s GLY 4 Ca -0.02 -0.54 0.02 0.00 0.00 0.00 0.00 44.72 44.17 1vee s GLY 4 CO 0.64 0.05 0.09 -0.45 0.00 0.00 0.00 173.10 173.44 1vee s SER 5 N -3.96 4.92 0.21 1.64 0.15 -1.26 -5.08 113.70 110.32 1vee s SER 5 Ca 0.65 -2.08 0.02 0.00 0.70 0.00 0.00 55.95 55.24 1vee s SER 5 Cb -0.15 -1.69 -0.05 0.00 -1.71 0.00 0.00 66.02 62.42 1vee s SER 5 CO 0.54 -0.43 0.02 -0.94 1.20 0.00 0.00 173.24 173.63 1vee s SER 6 N 1.22 1.44 0.00 5.45 1.04 -1.26 -0.41 113.70 121.18 1vee s SER 6 Ca 0.09 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.29 1vee s SER 6 Cb -0.20 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1vee s SER 6 CO -0.07 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1vee n GLY 7 N -0.36 0.69 3.13 7.32 0.00 -0.83 -4.89 105.19 110.24 1vee n GLY 7 Ca -0.05 0.45 -0.19 0.00 0.00 0.00 0.00 46.02 46.24 1vee n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vee s SER 8 N 2.00 1.52 0.15 1.61 0.01 -1.26 -3.30 113.70 114.43 1vee s SER 8 Ca 0.00 -0.45 -0.19 0.00 1.31 0.00 0.00 55.95 56.61 1vee s SER 8 Cb 0.00 -0.09 0.03 0.00 0.21 0.00 0.00 66.02 66.17 1vee s SER 8 CO 0.00 0.01 1.68 0.00 0.41 0.00 0.00 173.24 175.34 1vee h ALA 9 N 4.92 0.15 -0.25 1.44 0.00 -1.81 -1.99 119.26 121.72 1vee h ALA 9 Ca -0.37 0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.69 1vee h ALA 9 Cb 1.18 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 1vee h ALA 9 CO 0.44 -0.49 -0.02 0.87 0.00 0.00 0.00 179.25 180.04 1vee h LYS 10 N -0.04 0.04 -0.70 0.00 1.57 -1.90 0.21 116.57 115.75 1vee h LYS 10 Ca 0.14 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.00 1vee h LYS 10 Cb 0.25 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.48 1vee h LYS 10 CO -0.31 0.03 0.36 -0.97 -0.57 0.00 0.00 179.45 178.00 1vee h ASN 11 N 0.05 0.50 0.14 0.86 -1.24 -1.81 -0.09 115.58 113.98 1vee h ASN 11 Ca 0.12 0.05 -0.13 0.00 0.71 0.00 0.00 56.30 57.05 1vee h ASN 11 Cb 0.17 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 1vee h ASN 11 CO -0.22 0.30 -0.47 0.00 -1.29 0.00 0.00 177.43 175.75 1vee h ALA 12 N 1.40 0.91 -0.05 1.57 0.00 -0.78 -2.54 119.26 119.77 1vee h ALA 12 Ca 0.33 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1vee h ALA 12 Cb 0.30 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1vee h ALA 12 CO -0.23 0.65 -0.00 -0.92 0.00 0.00 0.00 179.25 178.74 1vee h TYR 13 N 0.32 0.10 -0.63 0.00 3.20 0.15 -2.75 116.97 117.37 1vee h TYR 13 Ca 0.02 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.96 1vee h TYR 13 Cb 0.94 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 39.12 1vee h TYR 13 CO 0.03 0.39 0.27 1.15 -1.64 0.00 0.00 178.16 178.35 1vee h THR 14 N -0.21 0.81 -0.70 1.81 2.02 -1.07 -1.14 112.91 114.44 1vee h THR 14 Ca 0.01 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 67.08 1vee h THR 14 Cb 0.35 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 1vee h THR 14 CO 0.00 0.09 0.46 0.11 0.37 0.00 0.00 175.52 176.55 1vee h LYS 15 N 0.47 0.76 0.00 6.66 1.79 -1.32 -0.53 116.57 124.41 1vee h LYS 15 Ca 0.31 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.69 1vee h LYS 15 Cb 0.35 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1vee h LYS 15 CO -0.28 0.50 -0.23 -0.07 -1.08 0.00 0.00 179.45 178.29 1vee h LEU 16 N 0.78 0.00 0.14 2.94 3.38 -0.91 -1.72 115.31 119.93 1vee h LEU 16 Ca 0.29 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.90 1vee h LEU 16 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1vee h LEU 16 CO -0.09 0.23 -1.91 1.23 0.09 0.00 0.00 178.44 177.99 1vee h GLY 17 N 1.39 0.35 1.43 0.83 0.00 -1.22 -3.35 103.07 102.49 1vee h GLY 17 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.44 1vee h GLY 17 CO 0.03 0.78 0.00 -0.37 0.00 0.00 0.00 176.54 176.98 1vee n THR 18 N -3.54 0.06 -3.87 4.70 5.66 -0.29 -4.85 114.28 112.15 1vee n THR 18 Ca -0.30 0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.72 1vee n THR 18 Cb 1.05 -0.55 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1vee n THR 18 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1vee n ASP 19 N -1.21 1.35 0.00 1.09 -0.08 -0.65 -5.05 116.55 111.99 1vee n ASP 19 Ca 0.16 -0.87 0.00 0.00 -1.51 0.00 0.00 54.79 52.56 1vee n ASP 19 Cb 0.19 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.65 1vee n ASP 19 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1vee n ASP 20 N -1.44 0.00 0.19 1.67 2.03 -1.26 -4.82 116.55 112.91 1vee n ASP 20 Ca 0.00 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.45 1vee n ASP 20 Cb 0.00 0.01 0.60 0.00 -0.72 0.00 0.00 41.12 41.01 1vee n ASP 20 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1vee h ASN 21 N 0.00 0.00 -3.13 1.67 7.08 -1.94 -3.42 115.58 115.83 1vee h ASN 21 Ca 0.00 0.00 -0.56 0.00 -3.08 0.00 0.00 56.30 52.66 1vee h ASN 21 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.20 1vee h ASN 21 CO 0.00 0.00 0.68 0.00 -2.08 0.00 0.00 177.43 176.03 1vee s ALA 22 N -3.49 3.50 -0.01 4.14 0.00 -1.26 -0.60 121.76 124.04 1vee s ALA 22 Ca 0.02 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.45 1vee s ALA 22 Cb 0.09 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 1vee s ALA 22 CO 0.41 -0.78 -0.07 -0.65 0.00 0.00 0.00 175.76 174.67 1vee s GLN 23 N 2.41 0.65 0.03 0.00 -1.52 -0.06 -4.81 119.66 116.35 1vee s GLN 23 Ca 0.51 -0.23 -0.25 0.00 -1.95 0.00 0.00 55.36 53.43 1vee s GLN 23 Cb -0.20 -0.63 -0.05 0.00 -0.22 0.00 0.00 33.01 31.91 1vee s GLN 23 CO 0.17 0.11 0.78 -1.17 -0.25 0.00 0.00 175.29 174.94 1vee s LEU 24 N 0.03 4.42 -0.21 2.90 1.98 -1.26 -0.79 118.68 125.76 1vee s LEU 24 Ca -0.00 1.44 0.00 0.00 -2.89 0.00 0.00 54.13 52.68 1vee s LEU 24 Cb -0.05 -3.25 0.05 0.00 0.66 0.00 0.00 46.19 43.60 1vee s LEU 24 CO -0.00 -0.03 -0.06 -0.22 -1.89 0.00 0.00 176.35 174.15 1vee s LEU 25 N 0.16 2.19 -0.29 -0.68 2.96 0.24 -1.40 118.68 121.86 1vee s LEU 25 Ca 0.40 -0.96 -0.21 0.00 -0.22 0.00 0.00 54.13 53.13 1vee s LEU 25 Cb -0.20 -1.10 -0.01 0.00 0.50 0.00 0.00 46.19 45.38 1vee s LEU 25 CO 0.23 -0.20 0.67 -0.62 -1.32 0.00 0.00 176.35 175.11 1vee s ASP 26 N 1.48 6.57 -0.08 3.68 -1.08 0.08 -1.20 116.67 126.11 1vee s ASP 26 Ca -0.03 0.56 0.14 0.00 -0.52 0.00 0.00 52.55 52.71 1vee s ASP 26 Cb -0.17 -2.35 0.46 0.00 -1.46 0.00 0.00 42.92 39.39 1vee s ASP 26 CO -0.07 -0.49 1.38 2.30 0.52 0.00 0.00 175.17 178.81 1vee n ILE 27 N 5.38 1.58 -1.66 4.11 -5.35 -0.55 -1.17 119.36 121.70 1vee n ILE 27 Ca 0.00 -1.33 -0.30 0.00 -0.27 0.00 0.00 62.75 60.85 1vee n ILE 27 Cb 0.49 0.18 0.08 0.00 -1.74 0.00 0.00 39.64 38.64 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 -1.77 2.30 0.25 6.28 0.52 -1.26 -2.88 118.95 122.39 1vee s ARG 28 Ca 0.35 0.57 -0.30 0.00 -0.52 0.00 0.00 55.73 55.83 1vee s ARG 28 Cb 0.23 -1.95 -0.10 0.00 0.52 0.00 0.00 34.95 33.65 1vee s ARG 28 CO 0.15 -1.46 1.45 0.00 0.02 0.00 0.00 175.30 175.46 1vee s ALA 29 N -3.23 3.63 0.48 2.13 0.00 -1.26 -4.11 121.76 119.40 1vee s ALA 29 Ca 0.60 1.35 0.24 0.00 0.00 0.00 0.00 51.96 54.15 1vee s ALA 29 Cb -0.13 -3.56 1.28 0.00 0.00 0.00 0.00 23.12 20.70 1vee s ALA 29 CO 0.53 -0.76 1.88 1.15 0.00 0.00 0.00 175.76 178.56 1vee h THR 30 N 3.52 0.62 -0.62 0.00 2.02 -2.00 -0.72 112.91 115.73 1vee h THR 30 Ca -0.46 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 1vee h THR 30 Cb 1.22 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1vee h THR 30 CO 0.78 0.04 0.38 0.00 0.37 0.00 0.00 175.52 177.08 1vee h ALA 31 N 1.59 1.51 0.00 6.16 0.00 -2.02 -1.80 119.26 124.71 1vee h ALA 31 Ca 0.44 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1vee h ALA 31 Cb 1.41 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1vee h ALA 31 CO -0.10 0.43 -0.12 -0.44 0.00 0.00 0.00 179.25 179.03 1vee h ASP 32 N 0.85 0.00 0.17 0.00 3.32 -1.49 -1.29 116.42 117.98 1vee h ASP 32 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1vee h ASP 32 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1vee h ASP 32 CO -0.04 0.12 0.00 0.49 -1.72 0.00 0.00 179.24 178.08 1vee n PHE 33 N -4.25 0.58 -0.07 4.55 3.01 -0.67 -0.75 117.46 119.86 1vee n PHE 33 Ca -0.03 0.28 -0.09 0.00 1.01 0.00 0.00 57.45 58.63 1vee n PHE 33 Cb 0.19 -0.95 -0.08 0.00 -0.01 0.00 0.00 39.48 38.63 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 -2.08 1.05 0.03 -1.08 1.74 -0.53 -3.82 116.66 111.98 1vee n ARG 34 Ca -0.00 0.05 -0.05 0.00 -0.77 0.00 0.00 57.85 57.07 1vee n ARG 34 Cb 0.07 -1.32 -0.11 0.00 -1.02 0.00 0.00 32.46 30.09 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 0.00 0.00 5.56 4.20 -0.99 -3.41 115.11 120.47 1vee h GLN 35 Ca -0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1vee h GLN 35 Cb 1.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.42 1vee h GLN 35 CO -0.02 0.63 -0.71 1.55 -0.67 0.00 0.00 178.83 179.61 1vee n VAL 36 N -3.14 0.00 0.00 -0.54 3.14 0.07 -4.86 118.33 113.00 1vee n VAL 36 Ca -0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 1vee n VAL 36 Cb 0.95 0.08 0.00 0.00 -1.06 0.00 0.00 33.84 33.81 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 1.91 -1.48 3.11 7.55 0.00 -0.63 -4.15 105.19 111.49 1vee n GLY 37 Ca 0.00 -2.05 -0.08 0.00 0.00 0.00 0.00 46.02 43.90 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 0.44 0.62 1.61 1.04 -0.73 -3.93 113.70 108.76 1vee s SER 38 Ca 0.00 -1.05 -0.15 0.00 0.48 0.00 0.00 55.95 55.23 1vee s SER 38 Cb 0.00 0.23 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 1vee s SER 38 CO 0.00 -0.63 1.06 -2.16 0.98 0.00 0.00 173.24 172.49 1vee s PRO 39 N -3.95 3.21 -0.50 4.02 0.04 -1.26 -0.80 135.00 135.75 1vee s PRO 39 Ca 0.11 1.17 0.03 0.00 0.04 0.00 0.00 61.00 62.36 1vee s PRO 39 Cb 0.08 -2.02 0.15 0.00 0.04 0.00 0.00 34.50 32.74 1vee s PRO 39 CO -0.07 -0.89 0.30 0.54 0.04 0.00 0.00 177.00 176.92 1vee s ASN 40 N -2.96 3.74 0.00 6.66 6.03 -1.26 -4.71 114.94 122.43 1vee s ASN 40 Ca 0.63 -2.98 0.14 0.00 -1.03 0.00 0.00 52.86 49.62 1vee s ASN 40 Cb -0.16 -1.18 0.61 0.00 -3.03 0.00 0.00 41.25 37.49 1vee s ASN 40 CO 0.40 -0.21 1.43 2.30 -2.03 0.00 0.00 177.10 178.99 1vee n ILE 41 N 3.08 0.17 -0.24 0.54 -5.35 -1.26 -4.26 119.36 112.04 1vee n ILE 41 Ca 0.13 -0.21 0.20 0.00 -0.27 0.00 0.00 62.75 62.59 1vee n ILE 41 Cb 0.36 0.09 0.52 0.00 -1.74 0.00 0.00 39.64 38.87 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 1.16 0.37 0.00 6.28 6.56 -1.90 -1.48 116.57 127.57 1vee h LYS 42 Ca 0.00 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1vee h LYS 42 Cb 0.26 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 31.84 1vee h LYS 42 CO 0.00 0.24 0.00 0.41 -2.06 0.00 0.00 179.45 178.04 1vee n GLY 43 N -1.53 -0.43 0.03 3.86 0.00 -1.26 -0.86 105.19 105.01 1vee n GLY 43 Ca 0.19 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.35 0.00 0.00 0.99 4.77 -0.56 -5.00 117.00 115.85 1vee n LEU 44 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1vee n LEU 44 Cb 0.02 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1vee n LEU 44 CO 0.02 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 1vee n GLY 45 N 1.74 1.95 3.51 -0.72 0.00 -0.04 -4.92 105.19 106.72 1vee n GLY 45 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.79 1.74 -0.07 1.61 -0.14 -1.22 -5.01 119.74 115.86 1vee s LYS 46 Ca 0.00 -1.95 -0.01 0.00 -1.36 0.00 0.00 55.97 52.64 1vee s LYS 46 Cb 0.00 -1.24 0.03 0.00 -1.68 0.00 0.00 37.83 34.94 1vee s LYS 46 CO 0.00 -0.07 0.01 0.21 -0.76 0.00 0.00 175.35 174.74 1vee s LYS 47 N -3.78 0.56 1.20 1.68 2.47 -1.26 -2.94 119.74 117.67 1vee s LYS 47 Ca 0.34 0.13 -0.17 0.00 -1.56 0.00 0.00 55.97 54.71 1vee s LYS 47 Cb 0.08 -0.93 0.28 0.00 -1.46 0.00 0.00 37.83 35.79 1vee s LYS 47 CO 0.16 -0.30 1.06 0.00 0.16 0.00 0.00 175.35 176.42 1vee s ALA 48 N 1.97 0.21 0.13 3.13 0.00 -1.26 -4.80 121.76 121.13 1vee s ALA 48 Ca 0.05 -0.66 0.11 0.00 0.00 0.00 0.00 51.96 51.45 1vee s ALA 48 Cb -0.12 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 1vee s ALA 48 CO -0.05 -3.68 -0.26 0.08 0.00 0.00 0.00 175.76 171.85 1vee s VAL 49 N -2.76 2.34 -0.15 0.00 1.01 -0.49 -5.00 120.40 115.34 1vee s VAL 49 Ca 0.69 -1.71 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 1vee s VAL 49 Cb -0.15 -2.04 0.05 0.00 0.00 0.00 0.00 36.38 34.24 1vee s VAL 49 CO 0.58 0.10 0.01 -0.94 0.00 0.00 0.00 175.10 174.85 1vee s SER 50 N -2.05 2.52 -0.28 3.32 1.04 -1.26 -0.74 113.70 116.24 1vee s SER 50 Ca 0.14 -0.58 -0.04 0.00 0.48 0.00 0.00 55.95 55.95 1vee s SER 50 Cb -0.10 -0.60 0.16 0.00 0.10 0.00 0.00 66.02 65.57 1vee s SER 50 CO 0.06 -0.25 0.57 -0.89 0.98 0.00 0.00 173.24 173.71 1vee s THR 51 N 1.85 -0.92 -0.00 2.02 2.01 -0.32 -4.99 115.64 115.29 1vee s THR 51 Ca 0.01 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.72 1vee s THR 51 Cb -0.15 -0.95 -0.07 0.00 0.01 0.00 0.00 72.50 71.34 1vee s THR 51 CO -0.07 -0.01 1.73 0.54 -0.69 0.00 0.00 174.62 176.12 1vee s VAL 52 N 2.81 3.31 0.59 3.82 0.11 -1.26 -4.16 120.40 125.63 1vee s VAL 52 Ca 0.10 0.49 -0.14 0.00 -2.93 0.00 0.00 61.98 59.49 1vee s VAL 52 Cb -0.14 -3.31 -0.04 0.00 -1.53 0.00 0.00 36.38 31.36 1vee s VAL 52 CO -0.19 -0.03 1.03 -0.47 -3.33 0.00 0.00 175.10 172.11 1vee s TYR 53 N 3.77 3.24 0.02 1.54 5.04 -1.14 -5.00 117.35 124.83 1vee s TYR 53 Ca 0.77 1.45 -0.28 0.00 -2.44 0.00 0.00 57.07 56.57 1vee s TYR 53 Cb -0.37 -2.88 0.10 0.00 0.35 0.00 0.00 41.96 39.16 1vee s TYR 53 CO 0.33 -0.86 0.89 0.54 -1.34 0.00 0.00 175.55 175.11 1vee s ASN 54 N -3.26 -0.35 0.05 4.32 2.20 -1.26 -5.00 114.94 111.64 1vee s ASN 54 Ca 0.60 -0.05 0.24 0.00 -0.94 0.00 0.00 52.86 52.71 1vee s ASN 54 Cb -0.13 0.40 0.39 0.00 -2.00 0.00 0.00 41.25 39.91 1vee s ASN 54 CO 0.41 -0.67 1.33 0.61 -2.94 0.00 0.00 177.10 175.85 1vee n GLY 55 N -0.28 -1.30 0.22 0.45 0.00 -1.26 -3.70 105.19 99.33 1vee n GLY 55 Ca -0.09 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 1vee n GLY 55 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1vee h GLU 56 N 0.00 0.74 -0.76 1.61 5.08 -2.02 -3.31 114.58 115.92 1vee h GLU 56 Ca 0.00 -0.34 -0.54 0.00 -1.00 0.00 0.00 59.36 57.49 1vee h GLU 56 Cb 0.62 -0.01 -0.35 0.00 0.50 0.00 0.00 28.75 29.50 1vee h GLU 56 CO 0.00 0.95 -0.32 -0.25 -1.00 0.00 0.00 179.01 178.39 1vee n ASP 57 N -4.30 5.32 -0.22 1.42 8.00 -1.26 -4.85 116.55 120.67 1vee n ASP 57 Ca -0.03 -3.77 -0.01 0.00 0.71 0.00 0.00 54.79 51.70 1vee n ASP 57 Cb 0.42 -0.53 0.06 0.00 -0.02 0.00 0.00 41.12 41.05 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 2.00 -0.02 -0.57 -1.24 1.57 -1.65 0.25 116.57 116.90 1vee h LYS 58 Ca 0.41 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.08 1vee h LYS 58 Cb 1.36 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.65 1vee h LYS 58 CO 0.92 -0.02 -0.07 -1.00 -0.57 0.00 0.00 179.45 178.71 1vee h PRO 59 N -0.03 1.06 0.12 3.15 0.13 -1.92 -1.98 132.00 132.53 1vee h PRO 59 Ca 0.30 -0.38 0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1vee h PRO 59 Cb 0.49 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.52 1vee h PRO 59 CO -0.67 1.08 -0.19 0.78 -0.23 0.00 0.00 178.00 178.77 1vee h GLY 60 N 0.95 -0.35 0.59 1.56 0.00 -1.53 0.47 103.07 104.76 1vee h GLY 60 Ca 0.15 0.22 0.04 0.00 0.00 0.00 0.00 47.33 47.74 1vee h GLY 60 CO 0.04 -0.18 -0.07 -2.75 0.00 0.00 0.00 176.54 173.59 1vee h PHE 61 N -0.37 -0.15 -0.42 5.60 3.04 -0.53 -1.07 116.94 123.04 1vee h PHE 61 Ca 0.02 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.03 1vee h PHE 61 Cb 0.38 0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.94 1vee h PHE 61 CO -0.18 -0.11 0.17 -0.07 -2.02 0.00 0.00 178.31 176.11 1vee h LEU 62 N -0.04 0.22 -0.74 0.59 3.38 -1.07 -1.87 115.31 115.78 1vee h LEU 62 Ca 0.09 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.14 1vee h LEU 62 Cb 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1vee h LEU 62 CO -0.20 0.16 0.46 0.11 0.09 0.00 0.00 178.44 179.06 1vee h LYS 63 N 0.36 0.86 -0.12 1.13 1.57 -0.33 0.58 116.57 120.62 1vee h LYS 63 Ca 0.19 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 1vee h LYS 63 Cb 0.15 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1vee h LYS 63 CO -0.17 0.57 0.18 0.87 -0.57 0.00 0.00 179.45 180.33 1vee h LYS 64 N 0.89 0.00 0.02 3.15 1.57 -0.35 -0.34 116.57 121.50 1vee h LYS 64 Ca 0.31 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.70 1vee h LYS 64 Cb 0.06 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1vee h LYS 64 CO -0.13 0.00 -2.15 1.28 -0.57 0.00 0.00 179.45 177.88 1vee n LEU 65 N -3.59 2.21 0.06 2.94 4.77 -0.60 -4.11 117.00 118.68 1vee n LEU 65 Ca 0.00 0.25 0.06 0.00 -0.03 0.00 0.00 56.01 56.30 1vee n LEU 65 Cb 0.28 -0.91 0.29 0.00 -2.33 0.00 0.00 43.42 40.76 1vee n LEU 65 CO 0.25 0.60 0.69 -1.20 -1.33 0.00 0.00 177.39 176.40 1vee n SER 66 N -4.02 0.24 -0.41 -1.43 7.64 0.10 -0.63 113.62 115.12 1vee n SER 66 Ca -0.45 0.59 0.12 0.00 1.01 0.00 0.00 58.87 60.15 1vee n SER 66 Cb 0.88 -0.63 0.27 0.00 -1.01 0.00 0.00 64.21 63.71 1vee n SER 66 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vee n LEU 67 N -1.80 1.54 -0.03 -3.43 -0.00 -0.17 -4.28 117.00 108.82 1vee n LEU 67 Ca 0.01 -0.50 -0.03 0.00 -0.00 0.00 0.00 56.01 55.49 1vee n LEU 67 Cb 0.09 -0.06 -0.04 0.00 -0.00 0.00 0.00 43.42 43.40 1vee n LEU 67 CO 0.09 0.28 -0.70 2.29 -0.00 0.00 0.00 177.39 179.34 1vee n LYS 68 N -0.20 2.29 -3.78 1.47 -0.00 0.20 -5.00 118.16 113.13 1vee n LYS 68 Ca 0.12 0.01 -0.36 0.00 -0.00 0.00 0.00 58.31 58.09 1vee n LYS 68 Cb 0.40 -1.15 -0.09 0.00 -0.00 0.00 0.00 35.03 34.19 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 -2.14 3.31 0.09 5.58 0.08 -0.21 -5.02 117.98 119.67 1vee s PHE 69 Ca -0.05 0.17 -0.14 0.00 0.12 0.00 0.00 56.93 57.03 1vee s PHE 69 Cb 0.02 -2.18 -0.13 0.00 -0.57 0.00 0.00 43.02 40.15 1vee s PHE 69 CO 0.22 0.13 1.33 1.57 -0.10 0.00 0.00 175.22 178.36 1vee h LYS 70 N 7.10 0.74 -2.73 0.44 2.10 -1.90 -3.42 116.57 118.89 1vee h LYS 70 Ca -0.39 -0.53 -0.59 0.00 -2.00 0.00 0.00 60.65 57.15 1vee h LYS 70 Cb 1.16 0.09 -0.39 0.00 -0.90 0.00 0.00 32.23 32.19 1vee h LYS 70 CO 0.69 1.15 -0.81 -0.51 -2.00 0.00 0.00 179.45 177.97 1vee s ASP 71 N -6.87 3.19 0.32 7.07 1.01 -1.26 -4.99 116.67 115.14 1vee s ASP 71 Ca -0.11 -2.38 0.09 0.00 0.71 0.00 0.00 52.55 50.85 1vee s ASP 71 Cb 0.08 -0.64 0.54 0.00 1.01 0.00 0.00 42.92 43.91 1vee s ASP 71 CO 0.87 -0.29 1.74 1.55 0.21 0.00 0.00 175.17 179.25 1vee h PRO 72 N 6.86 0.14 0.00 8.23 0.13 -1.86 -2.87 132.00 142.63 1vee h PRO 72 Ca 0.04 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1vee h PRO 72 Cb 0.95 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1vee h PRO 72 CO 0.35 0.53 0.00 -0.85 -0.23 0.00 0.00 178.00 177.80 1vee n GLU 73 N -4.04 0.03 -0.59 0.86 0.28 -1.12 -0.47 120.64 115.59 1vee n GLU 73 Ca -0.02 0.50 0.05 0.00 -0.16 0.00 0.00 57.16 57.53 1vee n GLU 73 Cb 0.46 -1.58 0.08 0.00 1.43 0.00 0.00 31.44 31.83 1vee n GLU 73 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1vee n ASN 74 N -1.64 1.17 -3.81 -1.84 0.23 -1.09 -4.16 115.26 104.12 1vee n ASN 74 Ca 0.00 -2.63 -0.24 0.00 -0.53 0.00 0.00 54.58 51.18 1vee n ASN 74 Cb 0.03 -0.34 -0.17 0.00 -2.08 0.00 0.00 39.78 37.21 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 -1.38 0.54 0.01 5.53 2.01 -0.62 -4.77 115.64 116.95 1vee s THR 75 Ca 0.22 0.01 -0.26 0.00 0.31 0.00 0.00 61.69 61.97 1vee s THR 75 Cb 0.22 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 1vee s THR 75 CO -0.04 0.28 0.82 -0.89 -0.69 0.00 0.00 174.62 174.10 1vee s THR 76 N 1.81 4.83 -0.42 -0.82 2.01 0.23 -3.37 115.64 119.90 1vee s THR 76 Ca 0.03 1.72 -0.08 0.00 0.31 0.00 0.00 61.69 63.68 1vee s THR 76 Cb -0.13 -4.16 0.09 0.00 0.01 0.00 0.00 72.50 68.31 1vee s THR 76 CO -0.05 0.28 0.25 -0.76 -0.69 0.00 0.00 174.62 173.65 1vee s LEU 77 N 0.43 5.20 -0.69 4.42 1.43 -0.25 -0.88 118.68 128.33 1vee s LEU 77 Ca 0.42 -1.65 -0.26 0.00 -1.03 0.00 0.00 54.13 51.62 1vee s LEU 77 Cb -0.20 -1.95 0.04 0.00 0.03 0.00 0.00 46.19 44.11 1vee s LEU 77 CO 0.23 -0.55 1.16 -0.31 0.23 0.00 0.00 176.35 177.11 1vee s TYR 78 N 1.36 2.45 0.12 0.29 1.51 0.03 -2.70 117.35 120.40 1vee s TYR 78 Ca 0.04 -0.18 -0.30 0.00 -1.01 0.00 0.00 57.07 55.62 1vee s TYR 78 Cb -0.23 -4.49 -0.06 0.00 -0.11 0.00 0.00 41.96 37.07 1vee s TYR 78 CO 0.00 -1.88 1.03 0.42 -1.11 0.00 0.00 175.55 174.01 1vee s ILE 79 N 5.07 4.29 -0.02 2.71 1.09 0.03 -0.59 121.20 133.79 1vee s ILE 79 Ca 0.31 1.88 0.01 0.00 -1.10 0.00 0.00 60.65 61.75 1vee s ILE 79 Cb -0.11 -4.20 0.01 0.00 -1.06 0.00 0.00 42.46 37.10 1vee s ILE 79 CO 0.14 0.27 -0.03 -0.22 -0.10 0.00 0.00 174.94 175.01 1vee s LEU 80 N 0.06 1.69 0.38 2.97 0.20 -0.34 -2.44 118.68 121.21 1vee s LEU 80 Ca 0.49 -0.07 0.04 0.00 0.69 0.00 0.00 54.13 55.28 1vee s LEU 80 Cb -0.26 -0.24 -0.03 0.00 -0.43 0.00 0.00 46.19 45.23 1vee s LEU 80 CO 0.31 -0.00 0.12 -0.62 -0.29 0.00 0.00 176.35 175.87 1vee s ASP 81 N 0.33 2.56 0.34 3.68 2.15 -1.26 -1.49 116.67 122.99 1vee s ASP 81 Ca -0.03 -1.61 0.03 0.00 0.43 0.00 0.00 52.55 51.37 1vee s ASP 81 Cb -0.07 0.39 0.62 0.00 -0.30 0.00 0.00 42.92 43.57 1vee s ASP 81 CO -0.01 -0.87 1.95 0.07 -0.17 0.00 0.00 175.17 176.14 1vee h LYS 82 N 1.90 0.71 0.00 4.34 2.10 -1.94 -3.21 116.57 120.46 1vee h LYS 82 Ca -0.36 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1vee h LYS 82 Cb 1.27 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1vee h LYS 82 CO 0.58 0.56 0.00 1.19 -2.00 0.00 0.00 179.45 179.78 1vee n PHE 83 N -4.37 0.00 -0.11 0.07 3.72 -1.26 -0.98 117.46 114.52 1vee n PHE 83 Ca 0.04 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.35 1vee n PHE 83 Cb 0.13 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 1vee n PHE 83 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1vee h ASP 84 N 0.00 0.48 0.00 4.37 3.32 -1.83 -2.89 116.42 119.87 1vee h ASP 84 Ca 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1vee h ASP 84 Cb 0.00 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1vee h ASP 84 CO 0.00 0.53 0.00 0.61 -1.72 0.00 0.00 179.24 178.66 1vee n GLY 85 N -0.71 1.61 0.07 2.75 0.00 -1.26 -2.20 105.19 105.46 1vee n GLY 85 Ca -0.01 0.58 0.01 0.00 0.00 0.00 0.00 46.02 46.60 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 5.66 1.35 -0.31 1.61 3.02 -1.26 -4.89 115.26 120.45 1vee n ASN 86 Ca 0.00 -1.27 -0.05 0.00 -0.03 0.00 0.00 54.58 53.23 1vee n ASN 86 Cb 0.00 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.14 1vee n ASN 86 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1vee n SER 87 N -0.00 -0.66 -0.19 6.41 7.64 -0.93 -1.09 113.62 124.80 1vee n SER 87 Ca 0.01 1.35 -0.04 0.00 1.01 0.00 0.00 58.87 61.20 1vee n SER 87 Cb 0.09 -0.24 0.15 0.00 -1.01 0.00 0.00 64.21 63.20 1vee n SER 87 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1vee h GLU 88 N 0.00 0.96 -0.02 1.43 5.08 -1.90 -0.61 114.58 119.52 1vee h GLU 88 Ca 0.19 -0.19 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 1vee h GLU 88 Cb 0.38 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1vee h GLU 88 CO -0.74 0.83 -0.71 1.25 -1.00 0.00 0.00 179.01 178.64 1vee h LEU 89 N 0.93 0.14 -0.28 1.33 7.12 -1.49 -3.03 115.31 120.03 1vee h LEU 89 Ca 0.21 -0.09 -0.19 0.00 0.13 0.00 0.00 57.88 57.93 1vee h LEU 89 Cb 0.27 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.34 1vee h LEU 89 CO -0.01 0.80 -0.88 0.58 -0.13 0.00 0.00 178.44 178.81 1vee h VAL 90 N 0.08 1.56 -0.91 1.05 2.07 -0.81 -2.92 116.25 116.37 1vee h VAL 90 Ca -0.02 -2.80 -0.01 0.00 0.82 0.00 0.00 66.70 64.69 1vee h VAL 90 Cb 1.26 2.55 -0.04 0.00 -1.52 0.00 0.00 31.29 33.53 1vee h VAL 90 CO 0.10 0.81 0.51 0.00 0.02 0.00 0.00 177.57 179.01 1vee h ALA 91 N 1.06 1.16 -0.25 1.67 0.00 -1.00 -2.47 119.26 119.43 1vee h ALA 91 Ca -0.03 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1vee h ALA 91 Cb 1.52 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1vee h ALA 91 CO 0.12 0.65 -0.14 0.93 0.00 0.00 0.00 179.25 180.82 1vee h GLU 92 N 1.26 0.54 0.09 0.00 5.08 -1.52 -2.78 114.58 117.25 1vee h GLU 92 Ca 0.32 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1vee h GLU 92 Cb 0.00 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1vee h GLU 92 CO -0.05 0.80 -0.41 1.25 -1.00 0.00 0.00 179.01 179.60 1vee h LEU 93 N 0.26 -1.21 -0.85 1.33 5.85 -1.27 0.21 115.31 119.64 1vee h LEU 93 Ca 0.05 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1vee h LEU 93 Cb 0.65 0.46 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 1vee h LEU 93 CO 0.04 -0.47 0.42 -0.37 -0.34 0.00 0.00 178.44 177.72 1vee h VAL 94 N -0.62 1.26 0.00 1.05 -1.51 -1.54 -2.31 116.25 112.58 1vee h VAL 94 Ca 0.03 -0.70 0.02 0.00 -1.23 0.00 0.00 66.70 64.81 1vee h VAL 94 Cb 0.66 0.16 -0.02 0.00 -2.13 0.00 0.00 31.29 29.96 1vee h VAL 94 CO -0.25 0.30 -0.11 0.00 -1.23 0.00 0.00 177.57 176.28 1vee h ALA 95 N 1.23 -0.12 0.00 5.19 0.00 -1.14 -0.50 119.26 123.92 1vee h ALA 95 Ca 0.29 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1vee h ALA 95 Cb 0.10 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1vee h ALA 95 CO -0.04 -0.60 -0.07 -0.07 0.00 0.00 0.00 179.25 178.47 1vee h LEU 96 N -0.18 0.00 0.00 0.00 4.07 -0.80 -1.80 115.31 116.60 1vee h LEU 96 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1vee h LEU 96 Cb 0.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.97 1vee h LEU 96 CO -0.11 0.07 -0.20 0.78 -1.08 0.00 0.00 178.44 177.91 1vee h ASN 97 N 0.00 0.00 0.00 -0.43 2.35 -0.78 -3.47 115.58 113.25 1vee h ASN 97 Ca -0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1vee h ASN 97 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1vee h ASN 97 CO 0.01 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.40 1vee n GLY 98 N 1.13 0.38 3.77 2.83 0.00 -0.68 -5.07 105.19 107.56 1vee n GLY 98 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.96 2.90 0.11 1.61 0.40 -0.27 -2.79 117.98 118.97 1vee s PHE 99 Ca 0.00 1.37 -0.30 0.00 -0.60 0.00 0.00 56.93 57.40 1vee s PHE 99 Cb 0.00 -3.74 -0.11 0.00 0.51 0.00 0.00 43.02 39.68 1vee s PHE 99 CO 0.00 -2.13 1.50 -0.22 0.70 0.00 0.00 175.22 175.06 1vee h LYS 100 N 3.11 -0.46 -3.20 0.44 1.63 -0.78 -3.39 116.57 113.92 1vee h LYS 100 Ca -0.49 0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.34 1vee h LYS 100 Cb 1.23 0.10 -0.08 0.00 -0.60 0.00 0.00 32.23 32.88 1vee h LYS 100 CO 0.64 -0.31 0.11 -1.54 -3.45 0.00 0.00 179.45 174.90 1vee s SER 101 N -4.68 -0.28 -0.00 4.20 1.04 -1.26 -5.00 113.70 107.72 1vee s SER 101 Ca -0.14 -0.52 -0.17 0.00 0.48 0.00 0.00 55.95 55.61 1vee s SER 101 Cb 0.07 0.64 0.03 0.00 0.10 0.00 0.00 66.02 66.85 1vee s SER 101 CO 0.55 -1.16 0.36 0.00 0.98 0.00 0.00 173.24 173.98 1vee s ALA 102 N -3.89 -0.91 -0.02 5.32 0.00 -1.26 -1.09 121.76 119.90 1vee s ALA 102 Ca 0.10 0.39 -0.01 0.00 0.00 0.00 0.00 51.96 52.44 1vee s ALA 102 Cb -0.03 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.25 1vee s ALA 102 CO 0.01 -0.32 0.05 0.71 0.00 0.00 0.00 175.76 176.21 1vee s TYR 103 N -1.66 -0.04 -0.29 0.00 1.51 -1.10 -4.67 117.35 111.11 1vee s TYR 103 Ca -0.11 0.18 -0.11 0.00 -1.01 0.00 0.00 57.07 56.02 1vee s TYR 103 Cb -0.03 -0.08 -0.04 0.00 -0.11 0.00 0.00 41.96 41.70 1vee s TYR 103 CO 0.03 -0.06 0.18 0.00 -1.11 0.00 0.00 175.55 174.58 1vee s ALA 104 N 0.51 3.45 -0.43 3.71 0.00 0.45 -0.79 121.76 128.66 1vee s ALA 104 Ca -0.04 -1.16 -0.29 0.00 0.00 0.00 0.00 51.96 50.47 1vee s ALA 104 Cb -0.06 -2.44 0.02 0.00 0.00 0.00 0.00 23.12 20.64 1vee s ALA 104 CO -0.02 -0.63 1.29 0.42 0.00 0.00 0.00 175.76 176.82 1vee s ILE 105 N 1.72 4.05 0.55 0.00 1.09 -1.02 -1.97 121.20 125.62 1vee s ILE 105 Ca 0.07 1.09 -0.20 0.00 -1.10 0.00 0.00 60.65 60.50 1vee s ILE 105 Cb -0.16 -4.36 -0.05 0.00 -1.06 0.00 0.00 42.46 36.83 1vee s ILE 105 CO 0.09 -0.82 1.19 -0.75 -0.10 0.00 0.00 174.94 174.55 1vee s LYS 106 N 4.66 3.23 0.00 2.79 2.47 -1.21 -2.93 119.74 128.76 1vee s LYS 106 Ca 0.55 1.79 0.00 0.00 -1.56 0.00 0.00 55.97 56.76 1vee s LYS 106 Cb -0.11 -2.06 0.00 0.00 -1.46 0.00 0.00 37.83 34.20 1vee s LYS 106 CO 0.31 -0.99 0.00 -0.25 0.16 0.00 0.00 175.35 174.58 1vee n ASP 107 N -1.27 -4.47 0.00 1.43 8.00 -1.26 -4.53 116.55 114.45 1vee n ASP 107 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1vee n ASP 107 Cb 0.49 -2.40 0.00 0.00 -0.02 0.00 0.00 41.12 39.19 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 -0.52 1.04 0.98 0.44 0.00 -1.09 -2.05 105.19 103.98 1vee n GLY 108 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1vee n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vee n ALA 109 N 7.83 2.55 1.53 4.61 0.00 -0.15 -0.50 120.51 136.37 1vee n ALA 109 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1vee n ALA 109 Cb 0.00 0.11 0.75 0.00 0.00 0.00 0.00 19.45 20.31 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 -2.21 0.68 -2.05 0.00 1.02 -0.49 -3.79 120.64 113.80 1vee n GLU 110 Ca 0.00 0.02 -0.28 0.00 -0.02 0.00 0.00 57.16 56.87 1vee n GLU 110 Cb 0.11 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.16 1vee n GLU 110 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1vee s GLY 111 N -2.20 1.71 0.61 0.62 0.00 -0.87 -4.93 107.32 102.26 1vee s GLY 111 Ca 0.35 -1.07 0.34 0.00 0.00 0.00 0.00 44.72 44.34 1vee s GLY 111 CO 0.34 -0.46 2.28 -0.56 0.00 0.00 0.00 173.10 174.70 1vee h PRO 112 N -1.18 0.00 0.00 2.90 0.13 -1.89 -2.43 132.00 129.52 1vee h PRO 112 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1vee h PRO 112 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1vee h PRO 112 CO 0.49 0.01 -0.14 2.89 -0.23 0.00 0.00 178.00 181.02 1vee n ARG 113 N -3.61 0.89 -0.84 0.86 1.85 -1.26 -4.81 116.66 109.74 1vee n ARG 113 Ca -0.03 -1.27 -0.29 0.00 -1.00 0.00 0.00 57.85 55.26 1vee n ARG 113 Cb 0.09 -0.80 0.19 0.00 -1.05 0.00 0.00 32.46 30.89 1vee n ARG 113 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1vee s GLY 114 N -1.07 1.60 0.08 2.89 0.00 -0.92 -4.29 107.32 105.61 1vee s GLY 114 Ca 0.06 0.03 -0.09 0.00 0.00 0.00 0.00 44.72 44.72 1vee s GLY 114 CO 0.01 0.61 0.60 1.87 0.00 0.00 0.00 173.10 176.18 1vee n TRP 115 N -4.39 -0.08 0.26 1.90 -0.00 0.34 -0.71 117.44 114.76 1vee n TRP 115 Ca 0.06 0.48 -0.13 0.00 -0.00 0.00 0.00 57.50 57.91 1vee n TRP 115 Cb 0.54 -0.59 -0.07 0.00 -0.00 0.00 0.00 31.31 31.20 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 -0.90 0.00 5.87 3.38 -1.83 -2.32 115.31 119.51 1vee h LEU 116 Ca 0.10 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1vee h LEU 116 Cb 0.20 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1vee h LEU 116 CO -0.37 -0.50 0.00 0.59 0.09 0.00 0.00 178.44 178.25 1vee n ASN 117 N -4.51 0.00 -1.22 -0.43 3.02 -0.07 -2.39 115.26 109.66 1vee n ASN 117 Ca -0.09 -0.78 0.12 0.00 -0.03 0.00 0.00 54.58 53.79 1vee n ASN 117 Cb 0.34 0.00 0.25 0.00 -0.61 0.00 0.00 39.78 39.76 1vee n ASN 117 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1vee n SER 118 N -0.64 3.63 -2.60 6.41 2.88 0.11 -4.63 113.62 118.79 1vee n SER 118 Ca 0.03 -1.99 -0.12 0.00 -1.33 0.00 0.00 58.87 55.46 1vee n SER 118 Cb 0.01 -0.33 0.06 0.00 -0.75 0.00 0.00 64.21 63.20 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 1.53 -2.25 -4.26 -3.46 2.88 -1.00 -4.63 113.62 102.42 1vee n SER 119 Ca 0.21 -0.41 -0.18 0.00 -1.33 0.00 0.00 58.87 57.16 1vee n SER 119 Cb 0.61 -3.55 -0.11 0.00 -0.75 0.00 0.00 64.21 60.40 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 -4.90 2.43 0.85 2.46 1.43 -1.20 -5.05 118.68 114.69 1vee s LEU 120 Ca 0.03 -0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 52.16 1vee s LEU 120 Cb -0.01 -0.59 0.10 0.00 0.03 0.00 0.00 46.19 45.72 1vee s LEU 120 CO 0.48 -0.14 1.14 -2.16 0.23 0.00 0.00 176.35 175.90 1vee s PRO 121 N -2.85 1.63 -0.29 1.29 0.04 -1.26 -4.65 135.00 128.91 1vee s PRO 121 Ca 0.12 0.32 -0.16 0.00 0.04 0.00 0.00 61.00 61.31 1vee s PRO 121 Cb -0.04 -1.89 0.17 0.00 0.04 0.00 0.00 34.50 32.77 1vee s PRO 121 CO 0.04 -1.86 1.05 -0.46 0.04 0.00 0.00 177.00 175.80 1vee s TRP 122 N -3.34 -0.48 -0.93 0.56 -0.11 -1.26 -4.50 118.94 108.88 1vee s TRP 122 Ca 0.62 0.91 -0.24 0.00 1.22 0.00 0.00 56.10 58.60 1vee s TRP 122 Cb -0.13 0.29 -0.06 0.00 -1.50 0.00 0.00 33.47 32.06 1vee s TRP 122 CO 0.52 -0.24 1.99 0.42 -4.62 0.00 0.00 176.95 175.03 1vee s ILE 123 N 1.68 3.41 0.49 5.86 1.01 0.02 -4.94 121.20 128.72 1vee s ILE 123 Ca -0.06 -0.40 -0.14 0.00 0.00 0.00 0.00 60.65 60.05 1vee s ILE 123 Cb -0.04 -3.98 -0.07 0.00 0.01 0.00 0.00 42.46 38.38 1vee s ILE 123 CO -0.15 -0.85 0.91 -1.61 0.00 0.00 0.00 174.94 173.25 1vee s GLU 124 N 7.15 3.86 0.58 2.79 2.02 -1.26 -1.77 118.70 132.06 1vee s GLU 124 Ca 0.72 0.76 -0.10 0.00 0.02 0.00 0.00 54.97 56.37 1vee s GLU 124 Cb -0.07 -2.22 0.14 0.00 0.10 0.00 0.00 34.13 32.08 1vee s GLU 124 CO 0.02 -0.21 0.65 -0.35 0.02 0.00 0.00 175.26 175.39 1vee n PRO 125 N -1.59 -1.30 -2.37 0.39 -0.04 -1.26 -4.91 135.00 123.91 1vee n PRO 125 Ca 0.05 -1.02 -0.36 0.00 -0.04 0.00 0.00 63.50 62.13 1vee n PRO 125 Cb 0.54 -0.79 -0.04 0.00 -0.04 0.00 0.00 33.50 33.18 1vee n PRO 125 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1vee s LYS 126 N -4.45 3.21 0.64 0.54 1.02 -1.26 -4.98 119.74 114.46 1vee s LYS 126 Ca 0.39 -0.81 -0.18 0.00 0.02 0.00 0.00 55.97 55.39 1vee s LYS 126 Cb -0.02 -5.24 -0.01 0.00 -0.52 0.00 0.00 37.83 32.03 1vee s LYS 126 CO 0.28 -2.64 1.30 0.15 -0.92 0.00 0.00 175.35 173.53 1vee s LYS 127 N 5.73 2.58 0.43 1.68 -0.14 -1.26 -5.03 119.74 123.73 1vee s LYS 127 Ca 0.55 2.08 0.03 0.00 -1.36 0.00 0.00 55.97 57.27 1vee s LYS 127 Cb -0.03 -1.87 -0.02 0.00 -1.68 0.00 0.00 37.83 34.23 1vee s LYS 127 CO -0.06 -1.58 0.09 -0.08 -0.76 0.00 0.00 175.35 172.96 1vee s THR 128 N -1.38 0.79 1.11 2.17 -1.32 -1.26 -5.16 115.64 110.58 1vee s THR 128 Ca 0.82 -2.00 -0.14 0.00 -1.21 0.00 0.00 61.69 59.16 1vee s THR 128 Cb -0.38 -2.34 0.24 0.00 -1.51 0.00 0.00 72.50 68.51 1vee s THR 128 CO 0.40 0.00 1.07 -0.44 -2.21 0.00 0.00 174.62 173.44 1vee s SER 129 N -3.66 1.64 -0.03 8.08 0.01 -1.26 -4.68 113.70 113.80 1vee s SER 129 Ca 0.21 1.17 -0.00 0.00 1.31 0.00 0.00 55.95 58.64 1vee s SER 129 Cb 0.03 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.44 1vee s SER 129 CO 0.12 -3.74 0.03 0.61 0.41 0.00 0.00 173.24 170.67 1vee n GLY 130 N -0.38 -0.46 3.65 3.44 0.00 -1.26 -5.06 105.19 105.12 1vee n GLY 130 Ca 0.05 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.37 -0.90 0.23 1.61 0.04 -1.26 -5.10 135.00 127.25 1vee s PRO 131 Ca 0.00 -0.13 0.08 0.00 0.04 0.00 0.00 61.00 60.99 1vee s PRO 131 Cb -0.00 -1.64 -0.05 0.00 0.04 0.00 0.00 34.50 32.85 1vee s PRO 131 CO 0.03 -3.49 -0.13 -1.54 0.04 0.00 0.00 177.00 171.92 1vee s SER 132 N -4.07 2.69 1.06 6.66 1.04 -1.26 -5.15 113.70 114.67 1vee s SER 132 Ca 0.71 -1.06 -0.12 0.00 0.48 0.00 0.00 55.95 55.96 1vee s SER 132 Cb -0.09 -0.16 0.22 0.00 0.10 0.00 0.00 66.02 66.10 1vee s SER 132 CO 0.55 -0.19 1.07 -0.94 0.98 0.00 0.00 173.24 174.71 1vee s SER 133 N -3.36 2.02 0.00 7.02 1.04 -1.26 -5.32 113.70 113.84 1vee s SER 133 Ca 0.25 1.33 0.31 0.00 0.48 0.00 0.00 55.95 58.31 1vee s SER 133 Cb -0.00 -2.03 1.67 0.00 0.10 0.00 0.00 66.02 65.75 1vee s SER 133 CO 0.09 -3.52 2.09 0.61 0.98 0.00 0.00 173.24 173.48