#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hct n PRO 5 N 0.00 0.04 -0.33 1.96 -0.02 -1.26 -4.76 135.00 130.63 3hct n PRO 5 Ca 0.00 0.02 0.09 0.00 -2.02 0.00 0.00 63.50 61.59 3hct n PRO 5 Cb 0.00 -1.33 0.29 0.00 -0.02 0.00 0.00 33.50 32.44 3hct n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hct h ARG 6 N 2.29 0.86 -0.87 -0.52 3.08 -2.02 -1.91 114.38 115.29 3hct h ARG 6 Ca -0.42 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.57 3hct h ARG 6 Cb 1.43 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 31.25 3hct h ARG 6 CO 0.62 0.57 0.51 -0.09 -1.07 0.00 0.00 179.97 180.51 3hct h ARG 7 N 0.88 1.18 -0.58 0.04 2.43 -2.00 -1.49 114.38 114.84 3hct h ARG 7 Ca 0.49 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.51 3hct h ARG 7 Cb 0.58 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 3hct h ARG 7 CO -0.25 0.84 0.22 0.82 -1.51 0.00 0.00 179.97 180.09 3hct h ILE 8 N 1.19 1.23 -0.34 1.20 2.04 -1.70 -0.65 117.51 120.48 3hct h ILE 8 Ca 0.31 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.45 3hct h ILE 8 Cb -0.03 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3hct h ILE 8 CO -0.06 0.28 0.23 0.40 0.00 0.00 0.00 178.15 179.00 3hct h ILE 9 N 0.81 1.09 -0.55 -0.67 1.08 -1.16 -0.70 117.51 117.41 3hct h ILE 9 Ca 0.19 -0.16 -0.02 0.00 -0.39 0.00 0.00 64.86 64.48 3hct h ILE 9 Cb 0.22 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.53 3hct h ILE 9 CO -0.01 0.08 0.24 0.50 -0.69 0.00 0.00 178.15 178.27 3hct h LYS 10 N 0.46 0.80 -0.48 2.37 3.64 -1.00 -0.63 116.57 121.73 3hct h LYS 10 Ca 0.13 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3hct h LYS 10 Cb -0.05 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 3hct h LYS 10 CO -0.03 0.67 0.19 0.93 -2.27 0.00 0.00 179.45 178.94 3hct h GLU 11 N 0.74 0.72 -0.08 1.90 5.08 -0.89 -1.38 114.58 120.67 3hct h GLU 11 Ca 0.19 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3hct h GLU 11 Cb 0.15 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 3hct h GLU 11 CO -0.02 0.65 0.05 1.15 -1.00 0.00 0.00 179.01 179.84 3hct h THR 12 N 0.63 1.03 -0.83 1.13 2.02 -0.90 0.64 112.91 116.64 3hct h THR 12 Ca 0.16 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.29 3hct h THR 12 Cb 0.20 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 3hct h THR 12 CO -0.01 0.03 0.53 1.56 0.37 0.00 0.00 175.52 178.00 3hct h GLN 13 N 0.10 1.03 0.00 6.66 4.20 -0.97 -1.52 115.11 124.59 3hct h GLN 13 Ca 0.03 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 3hct h GLN 13 Cb 0.00 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 3hct h GLN 13 CO -0.01 0.68 -0.53 0.00 -0.67 0.00 0.00 178.83 178.30 3hct h ARG 14 N 1.06 0.00 -0.04 1.46 3.08 -0.96 -0.81 114.38 118.16 3hct h ARG 14 Ca 0.32 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.17 3hct h ARG 14 Cb -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 3hct h ARG 14 CO -0.10 0.53 -0.81 -0.07 -1.07 0.00 0.00 179.97 178.45 3hct h LEU 15 N 0.00 0.46 -0.02 3.04 3.38 -0.31 -0.82 115.31 121.05 3hct h LEU 15 Ca -0.01 -0.33 -0.26 0.00 0.09 0.00 0.00 57.88 57.37 3hct h LEU 15 Cb 1.00 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 41.62 3hct h LEU 15 CO 0.07 1.10 -1.06 -0.07 0.09 0.00 0.00 178.44 178.57 3hct h LEU 16 N 0.24 0.80 0.58 1.67 3.38 -1.21 -2.54 115.31 118.22 3hct h LEU 16 Ca -0.05 -0.66 -0.03 0.00 0.09 0.00 0.00 57.88 57.23 3hct h LEU 16 Cb 1.41 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.92 3hct h LEU 16 CO 0.14 1.46 -0.28 0.00 0.09 0.00 0.00 178.44 179.85 3hct h ALA 17 N 0.48 -0.77 -2.95 1.53 0.00 -1.16 -3.38 119.26 113.00 3hct h ALA 17 Ca -0.13 -0.19 -0.67 0.00 0.00 0.00 0.00 54.91 53.92 3hct h ALA 17 Cb 1.71 0.30 -0.38 0.00 0.00 0.00 0.00 17.79 19.42 3hct h ALA 17 CO 0.20 -0.76 -0.31 -1.21 0.00 0.00 0.00 179.25 177.18 3hct s GLU 18 N -4.48 2.92 0.58 0.00 2.02 -0.32 -5.09 118.70 114.34 3hct s GLU 18 Ca -0.13 -3.32 -0.19 0.00 0.02 0.00 0.00 54.97 51.35 3hct s GLU 18 Cb 0.01 -3.72 -0.04 0.00 0.10 0.00 0.00 34.13 30.49 3hct s GLU 18 CO 0.43 -1.28 1.18 -1.25 0.02 0.00 0.00 175.26 174.36 3hct s PRO 19 N -1.42 3.06 -0.03 0.39 0.04 -0.96 -4.62 135.00 131.46 3hct s PRO 19 Ca 0.26 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 62.76 3hct s PRO 19 Cb -0.06 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 3hct s PRO 19 CO -0.14 -1.12 1.33 0.08 0.04 0.00 0.00 177.00 177.19 3hct s VAL 20 N -1.67 3.93 0.12 -0.36 1.01 -1.26 -4.93 120.40 117.23 3hct s VAL 20 Ca 0.76 1.28 -0.35 0.00 0.00 0.00 0.00 61.98 63.66 3hct s VAL 20 Cb -0.28 -3.82 -0.15 0.00 0.00 0.00 0.00 36.38 32.12 3hct s VAL 20 CO 0.32 -0.01 1.45 -0.81 0.00 0.00 0.00 175.10 176.05 3hct n PRO 21 N 5.43 1.63 -0.80 2.72 -0.04 -1.26 -0.02 135.00 142.65 3hct n PRO 21 Ca 0.13 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 3hct n PRO 21 Cb 0.45 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 3hct n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hct n GLY 22 N 2.94 0.97 3.00 0.55 0.00 -1.26 -5.01 105.19 106.38 3hct n GLY 22 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 3hct n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hct s ILE 23 N -3.62 1.27 -0.18 -0.61 1.01 0.97 -1.33 121.20 118.70 3hct s ILE 23 Ca 0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 60.65 60.10 3hct s ILE 23 Cb 0.00 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 3hct s ILE 23 CO 0.00 0.40 0.02 -0.75 0.00 0.00 0.00 174.94 174.61 3hct s LYS 24 N 1.18 3.79 -0.17 2.79 2.20 0.12 -4.12 119.74 125.53 3hct s LYS 24 Ca -0.04 -0.44 -0.04 0.00 -0.36 0.00 0.00 55.97 55.09 3hct s LYS 24 Cb -0.14 -3.11 0.09 0.00 -1.51 0.00 0.00 37.83 33.15 3hct s LYS 24 CO -0.03 0.17 0.26 0.00 -0.36 0.00 0.00 175.35 175.39 3hct s ALA 25 N 0.61 -0.53 0.05 3.13 0.00 -1.26 -0.23 121.76 123.52 3hct s ALA 25 Ca 0.01 0.68 0.04 0.00 0.00 0.00 0.00 51.96 52.69 3hct s ALA 25 Cb -0.14 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 3hct s ALA 25 CO 0.02 -0.95 -0.12 -1.21 0.00 0.00 0.00 175.76 173.50 3hct s GLU 26 N 2.40 0.76 0.56 0.00 2.02 -0.78 -4.75 118.70 118.91 3hct s GLU 26 Ca 0.05 -0.79 -0.18 0.00 0.02 0.00 0.00 54.97 54.07 3hct s GLU 26 Cb -0.14 -0.72 -0.05 0.00 0.10 0.00 0.00 34.13 33.32 3hct s GLU 26 CO -0.11 0.17 1.07 -1.25 0.02 0.00 0.00 175.26 175.15 3hct s PRO 27 N -1.39 3.43 0.32 0.39 0.04 -1.26 -0.48 135.00 136.05 3hct s PRO 27 Ca -0.02 1.33 -0.28 0.00 0.04 0.00 0.00 61.00 62.06 3hct s PRO 27 Cb -0.09 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.32 3hct s PRO 27 CO 0.01 -0.74 1.16 0.34 0.04 0.00 0.00 177.00 177.82 3hct s ASP 28 N -2.37 7.00 0.55 6.66 2.15 0.32 -4.82 116.67 126.16 3hct s ASP 28 Ca 0.66 2.38 0.28 0.00 0.43 0.00 0.00 52.55 56.31 3hct s ASP 28 Cb -0.18 -2.63 1.59 0.00 -0.30 0.00 0.00 42.92 41.41 3hct s ASP 28 CO 0.31 -0.34 2.14 -0.08 -0.17 0.00 0.00 175.17 177.02 3hct h GLU 29 N 3.46 0.00 0.00 4.34 4.81 -1.94 -2.83 114.58 122.42 3hct h GLU 29 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3hct h GLU 29 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3hct h GLU 29 CO 0.66 0.08 -1.61 0.43 -0.73 0.00 0.00 179.01 177.83 3hct n SER 30 N -3.70 0.44 -3.40 1.04 7.64 -1.26 -4.88 113.62 109.49 3hct n SER 30 Ca -0.02 -0.36 -0.11 0.00 1.01 0.00 0.00 58.87 59.39 3hct n SER 30 Cb 0.18 1.62 -0.09 0.00 -1.01 0.00 0.00 64.21 64.91 3hct n SER 30 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3hct s ASN 31 N -3.91 0.48 0.00 6.43 3.84 -1.07 -5.03 114.94 115.68 3hct s ASN 31 Ca -0.02 0.16 0.14 0.00 0.21 0.00 0.00 52.86 53.35 3hct s ASN 31 Cb 0.14 0.95 0.66 0.00 -0.55 0.00 0.00 41.25 42.45 3hct s ASN 31 CO 0.87 -0.30 1.38 0.00 -2.79 0.00 0.00 177.10 176.26 3hct n ALA 32 N 5.35 1.74 1.25 1.71 0.00 -1.25 -1.92 120.51 127.39 3hct n ALA 32 Ca -0.04 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.47 3hct n ALA 32 Cb 0.50 -1.22 0.32 0.00 0.00 0.00 0.00 19.45 19.04 3hct n ALA 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hct n ARG 33 N -1.35 1.43 -3.94 0.00 1.74 -1.26 -4.80 116.66 108.48 3hct n ARG 33 Ca 0.06 -0.98 -0.35 0.00 -0.77 0.00 0.00 57.85 55.81 3hct n ARG 33 Cb 0.12 -1.48 -0.14 0.00 -1.02 0.00 0.00 32.46 29.95 3hct n ARG 33 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3hct s TYR 34 N -2.25 2.98 -0.12 -1.55 5.04 -0.81 -0.99 117.35 119.65 3hct s TYR 34 Ca 0.29 -0.81 0.01 0.00 -2.44 0.00 0.00 57.07 54.11 3hct s TYR 34 Cb 0.20 -2.11 -0.01 0.00 0.35 0.00 0.00 41.96 40.38 3hct s TYR 34 CO 0.43 -0.48 -0.15 -0.06 -1.34 0.00 0.00 175.55 173.95 3hct s PHE 35 N 1.41 2.76 -0.29 4.97 0.08 0.14 0.12 117.98 127.17 3hct s PHE 35 Ca 0.05 -0.66 -0.17 0.00 0.12 0.00 0.00 56.93 56.28 3hct s PHE 35 Cb -0.14 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.48 3hct s PHE 35 CO -0.02 -0.20 0.45 -1.01 -0.10 0.00 0.00 175.22 174.34 3hct s HIS 36 N 0.24 3.24 0.01 0.36 3.76 0.37 -1.31 115.29 121.96 3hct s HIS 36 Ca -0.10 0.40 0.06 0.00 -0.15 0.00 0.00 55.06 55.27 3hct s HIS 36 Cb -0.16 -2.70 -0.03 0.00 1.11 0.00 0.00 32.58 30.80 3hct s HIS 36 CO 0.06 -0.33 -0.17 0.08 -0.85 0.00 0.00 174.74 173.53 3hct s VAL 37 N 2.21 2.85 -0.04 -0.90 1.01 -0.07 -1.87 120.40 123.58 3hct s VAL 37 Ca 0.17 -1.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 3hct s VAL 37 Cb -0.16 -2.17 0.03 0.00 0.00 0.00 0.00 36.38 34.08 3hct s VAL 37 CO 0.11 0.41 0.01 -0.69 0.00 0.00 0.00 175.10 174.94 3hct s VAL 38 N -0.86 0.16 -0.13 2.92 1.01 0.68 -0.57 120.40 123.60 3hct s VAL 38 Ca 0.14 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.31 3hct s VAL 38 Cb -0.11 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 35.98 3hct s VAL 38 CO 0.04 0.18 -0.21 -0.63 0.00 0.00 0.00 175.10 174.48 3hct s ILE 39 N 1.47 1.92 0.27 2.22 1.01 0.10 -0.70 121.20 127.50 3hct s ILE 39 Ca -0.03 -0.90 -0.29 0.00 0.00 0.00 0.00 60.65 59.42 3hct s ILE 39 Cb -0.13 -1.70 -0.10 0.00 0.01 0.00 0.00 42.46 40.54 3hct s ILE 39 CO -0.03 0.52 1.21 0.00 0.00 0.00 0.00 174.94 176.64 3hct s ALA 40 N 0.78 3.46 0.12 9.38 0.00 -0.44 -0.81 121.76 134.24 3hct s ALA 40 Ca -0.09 1.05 -0.31 0.00 0.00 0.00 0.00 51.96 52.61 3hct s ALA 40 Cb -0.16 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.46 3hct s ALA 40 CO -0.00 -0.39 1.71 0.20 0.00 0.00 0.00 175.76 177.27 3hct s GLY 41 N -0.46 1.44 0.10 0.00 0.00 0.13 -4.88 107.32 103.64 3hct s GLY 41 Ca 0.49 1.37 -0.36 0.00 0.00 0.00 0.00 44.72 46.21 3hct s GLY 41 CO 0.44 2.93 1.33 -1.05 0.00 0.00 0.00 173.10 176.76 3hct n PRO 42 N 5.14 1.18 -1.70 2.90 -0.02 -1.26 -4.21 135.00 137.03 3hct n PRO 42 Ca 0.16 0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 3hct n PRO 42 Cb 0.39 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3hct n PRO 42 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3hct n GLN 43 N 2.49 2.05 -0.07 -0.52 -0.06 -1.26 -1.32 117.38 118.70 3hct n GLN 43 Ca 0.18 0.72 0.00 0.00 -2.00 0.00 0.00 57.00 55.90 3hct n GLN 43 Cb 0.20 -2.38 0.00 0.00 -4.06 0.00 0.00 30.24 24.00 3hct n GLN 43 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3hct n ASP 44 N 0.44 0.00 -4.95 1.69 10.43 -1.26 -5.00 116.55 117.90 3hct n ASP 44 Ca 0.06 0.00 -0.23 0.00 2.57 0.00 0.00 54.79 57.18 3hct n ASP 44 Cb 0.38 -0.29 0.00 0.00 1.84 0.00 0.00 41.12 43.06 3hct n ASP 44 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3hct s SER 45 N -3.58 6.04 0.00 -2.24 1.04 -0.43 -4.96 113.70 109.57 3hct s SER 45 Ca 0.00 0.38 0.05 0.00 0.48 0.00 0.00 55.95 56.85 3hct s SER 45 Cb 0.00 -1.76 0.21 0.00 0.10 0.00 0.00 66.02 64.58 3hct s SER 45 CO 0.00 -0.54 1.10 -0.81 0.98 0.00 0.00 173.24 173.97 3hct n PRO 46 N -1.97 0.02 -0.12 4.02 -0.04 -1.26 -1.23 135.00 134.42 3hct n PRO 46 Ca -0.01 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 63.93 3hct n PRO 46 Cb 0.57 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.75 3hct n PRO 46 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hct n PHE 47 N -1.43 0.32 -1.65 0.54 3.01 -1.26 -3.75 117.46 113.24 3hct n PHE 47 Ca 0.02 -0.16 -0.43 0.00 1.01 0.00 0.00 57.45 57.89 3hct n PHE 47 Cb 0.05 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.51 3hct n PHE 47 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 3hct n GLU 48 N 1.25 1.76 0.00 -1.08 2.13 -0.36 -1.69 120.64 122.65 3hct n GLU 48 Ca 0.18 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.62 3hct n GLU 48 Cb 0.56 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 30.13 3hct n GLU 48 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hct n GLY 49 N 0.97 2.11 3.95 8.31 0.00 -1.26 -4.97 105.19 114.31 3hct n GLY 49 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 3hct n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hct s GLY 50 N -1.96 1.42 -0.17 -0.02 0.00 -0.68 -4.81 107.32 101.11 3hct s GLY 50 Ca 0.00 -1.06 0.01 0.00 0.00 0.00 0.00 44.72 43.67 3hct s GLY 50 CO 0.00 -1.05 -0.17 -1.59 0.00 0.00 0.00 173.10 170.29 3hct s THR 51 N -2.00 2.40 -0.14 0.90 2.01 0.39 0.21 115.64 119.41 3hct s THR 51 Ca 0.36 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.52 3hct s THR 51 Cb -0.10 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 3hct s THR 51 CO 0.30 0.52 -0.15 -0.36 -0.69 0.00 0.00 174.62 174.25 3hct s PHE 52 N 1.04 2.78 -0.08 4.92 0.40 0.01 -4.66 117.98 122.39 3hct s PHE 52 Ca -0.01 -0.85 -0.10 0.00 -0.60 0.00 0.00 56.93 55.37 3hct s PHE 52 Cb -0.15 -1.86 -0.05 0.00 0.51 0.00 0.00 43.02 41.48 3hct s PHE 52 CO -0.05 -0.35 0.23 0.15 0.70 0.00 0.00 175.22 175.91 3hct s LYS 53 N 0.58 3.62 0.05 0.44 -0.14 -1.26 0.00 119.74 123.03 3hct s LYS 53 Ca -0.09 0.06 -0.02 0.00 -1.36 0.00 0.00 55.97 54.56 3hct s LYS 53 Cb -0.16 -3.20 -0.03 0.00 -1.68 0.00 0.00 37.83 32.75 3hct s LYS 53 CO 0.03 0.74 -0.01 -0.51 -0.76 0.00 0.00 175.35 174.85 3hct s LEU 54 N -1.02 2.35 -0.06 3.17 1.02 0.26 -0.89 118.68 123.51 3hct s LEU 54 Ca 0.18 -0.90 0.05 0.00 0.02 0.00 0.00 54.13 53.48 3hct s LEU 54 Cb -0.14 0.27 -0.01 0.00 0.02 0.00 0.00 46.19 46.34 3hct s LEU 54 CO 0.07 -0.58 -0.23 -1.61 0.02 0.00 0.00 176.35 174.02 3hct s GLU 55 N -3.62 2.62 -0.06 1.70 2.02 0.09 -0.90 118.70 120.54 3hct s GLU 55 Ca 0.04 -0.88 0.04 0.00 0.02 0.00 0.00 54.97 54.20 3hct s GLU 55 Cb 0.06 -2.21 -0.00 0.00 0.10 0.00 0.00 34.13 32.07 3hct s GLU 55 CO -0.09 0.38 -0.20 -1.17 0.02 0.00 0.00 175.26 174.20 3hct s LEU 56 N -0.16 1.96 -0.06 1.80 0.20 -0.43 -0.65 118.68 121.34 3hct s LEU 56 Ca -0.03 -0.44 0.04 0.00 0.69 0.00 0.00 54.13 54.39 3hct s LEU 56 Cb -0.14 -1.16 -0.00 0.00 -0.43 0.00 0.00 46.19 44.46 3hct s LEU 56 CO 0.04 0.16 -0.20 0.12 -0.29 0.00 0.00 176.35 176.18 3hct s PHE 57 N 0.16 2.06 -0.45 5.38 5.36 0.23 -0.68 117.98 130.03 3hct s PHE 57 Ca -0.09 -0.68 -0.17 0.00 -0.96 0.00 0.00 56.93 55.03 3hct s PHE 57 Cb -0.14 -1.38 0.04 0.00 -0.34 0.00 0.00 43.02 41.20 3hct s PHE 57 CO 0.04 -0.25 0.45 -0.51 -1.46 0.00 0.00 175.22 173.49 3hct s LEU 58 N 0.13 5.11 0.90 6.12 1.43 -0.17 0.73 118.68 132.94 3hct s LEU 58 Ca -0.08 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 51.99 3hct s LEU 58 Cb -0.14 -2.32 0.13 0.00 0.03 0.00 0.00 46.19 43.90 3hct s LEU 58 CO 0.04 -0.64 1.11 -2.16 0.23 0.00 0.00 176.35 174.93 3hct s PRO 59 N 2.05 1.18 0.56 1.29 0.04 -1.26 -4.87 135.00 133.99 3hct s PRO 59 Ca 0.10 1.25 0.25 0.00 0.04 0.00 0.00 61.00 62.65 3hct s PRO 59 Cb -0.20 -1.77 1.54 0.00 0.04 0.00 0.00 34.50 34.12 3hct s PRO 59 CO 0.11 -2.42 2.11 1.05 0.04 0.00 0.00 177.00 177.88 3hct h GLU 60 N -1.70 0.00 -0.00 4.56 4.11 -1.97 -0.76 114.58 118.82 3hct h GLU 60 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 3hct h GLU 60 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3hct h GLU 60 CO 0.47 0.00 -0.15 0.39 0.07 0.00 0.00 179.01 179.79 3hct n GLU 61 N -4.08 0.04 -1.58 1.06 4.71 -1.26 -4.90 120.64 114.63 3hct n GLU 61 Ca 0.02 -0.01 -0.44 0.00 -0.01 0.00 0.00 57.16 56.72 3hct n GLU 61 Cb 0.31 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.23 3hct n GLU 61 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 177.13 178.20 3hct n TYR 62 N -1.47 1.14 1.20 -0.32 9.36 -0.29 0.08 117.16 126.85 3hct n TYR 62 Ca 0.07 0.69 0.06 0.00 3.32 0.00 0.00 57.90 62.04 3hct n TYR 62 Cb 0.33 -2.23 0.20 0.00 -0.63 0.00 0.00 39.34 37.01 3hct n TYR 62 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3hct n PRO 63 N 0.67 1.61 0.21 2.98 -0.04 -1.26 -4.84 135.00 134.33 3hct n PRO 63 Ca 0.10 -0.95 0.08 0.00 -0.04 0.00 0.00 63.50 62.69 3hct n PRO 63 Cb 0.33 -1.25 0.43 0.00 -0.04 0.00 0.00 33.50 32.96 3hct n PRO 63 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 3hct h MET 64 N 1.62 0.00 -6.63 0.54 2.86 -0.73 -3.31 114.93 109.27 3hct h MET 64 Ca 0.00 0.00 -0.69 0.00 -2.06 0.00 0.00 59.70 56.95 3hct h MET 64 Cb 0.37 0.00 -0.24 0.00 0.06 0.00 0.00 31.60 31.79 3hct h MET 64 CO 0.00 0.28 -0.84 0.00 1.06 0.00 0.00 176.91 177.41 3hct s ALA 65 N -3.69 2.45 0.65 6.32 0.00 -1.18 -4.83 121.76 121.48 3hct s ALA 65 Ca -0.00 -1.22 -0.16 0.00 0.00 0.00 0.00 51.96 50.58 3hct s ALA 65 Cb 0.11 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 3hct s ALA 65 CO 0.65 0.56 1.16 0.00 0.00 0.00 0.00 175.76 178.13 3hct s ALA 66 N -0.86 2.42 0.70 0.00 0.00 -1.26 -4.11 121.76 118.65 3hct s ALA 66 Ca 0.13 0.78 -0.14 0.00 0.00 0.00 0.00 51.96 52.73 3hct s ALA 66 Cb -0.10 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.65 3hct s ALA 66 CO 0.04 -1.34 1.13 -2.14 0.00 0.00 0.00 175.76 173.44 3hct s PRO 67 N -3.76 2.49 -0.17 0.00 0.02 -1.26 -4.56 135.00 127.77 3hct s PRO 67 Ca 0.72 1.43 -0.08 0.00 0.02 0.00 0.00 61.00 63.09 3hct s PRO 67 Cb -0.25 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 3hct s PRO 67 CO 0.39 -1.50 0.10 0.15 -0.33 0.00 0.00 177.00 175.81 3hct s LYS 68 N -4.22 3.86 -0.04 5.54 -0.14 0.22 -4.91 119.74 120.06 3hct s LYS 68 Ca 0.67 -0.25 0.03 0.00 -1.36 0.00 0.00 55.97 55.06 3hct s LYS 68 Cb -0.22 -3.25 0.01 0.00 -1.68 0.00 0.00 37.83 32.69 3hct s LYS 68 CO 0.45 0.43 -0.11 0.08 -0.76 0.00 0.00 175.35 175.45 3hct s VAL 69 N -0.04 0.95 -0.09 3.17 1.01 -1.26 0.75 120.40 124.89 3hct s VAL 69 Ca 0.08 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.66 3hct s VAL 69 Cb -0.12 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.42 3hct s VAL 69 CO 0.00 0.30 -0.15 -0.60 0.00 0.00 0.00 175.10 174.65 3hct s ARG 70 N 0.35 2.08 -0.30 2.72 3.52 0.18 -4.42 118.95 123.08 3hct s ARG 70 Ca -0.07 -0.52 -0.28 0.00 -0.13 0.00 0.00 55.73 54.73 3hct s ARG 70 Cb -0.11 -1.74 0.01 0.00 -1.56 0.00 0.00 34.95 31.54 3hct s ARG 70 CO 0.02 -0.02 1.00 0.12 -0.81 0.00 0.00 175.30 175.61 3hct s PHE 71 N 0.84 3.21 -0.14 5.12 5.36 0.12 -0.73 117.98 131.76 3hct s PHE 71 Ca -0.10 1.17 -0.15 0.00 -0.96 0.00 0.00 56.93 56.89 3hct s PHE 71 Cb -0.15 -3.48 -0.24 0.00 -0.34 0.00 0.00 43.02 38.80 3hct s PHE 71 CO 0.01 -0.65 0.39 0.52 -1.46 0.00 0.00 175.22 174.03 3hct h MET 72 N 7.95 0.18 -6.65 10.12 2.86 -1.32 -3.39 114.93 124.67 3hct h MET 72 Ca -0.21 -0.30 -0.53 0.00 -2.06 0.00 0.00 59.70 56.60 3hct h MET 72 Cb 1.07 0.11 0.04 0.00 0.06 0.00 0.00 31.60 32.88 3hct h MET 72 CO 0.99 1.14 0.74 0.99 1.06 0.00 0.00 176.91 181.83 3hct s THR 73 N -2.47 2.98 0.13 2.22 2.01 -0.97 -4.94 115.64 114.59 3hct s THR 73 Ca -0.23 0.76 -0.31 0.00 0.31 0.00 0.00 61.69 62.21 3hct s THR 73 Cb 0.05 -3.48 -0.10 0.00 0.01 0.00 0.00 72.50 68.98 3hct s THR 73 CO 0.71 0.09 1.69 -0.75 -0.69 0.00 0.00 174.62 175.68 3hct s LYS 74 N 0.37 4.17 0.00 4.92 2.20 -1.26 -4.90 119.74 125.25 3hct s LYS 74 Ca 0.62 2.45 -0.04 0.00 -0.36 0.00 0.00 55.97 58.64 3hct s LYS 74 Cb -0.39 -3.43 -0.01 0.00 -1.51 0.00 0.00 37.83 32.49 3hct s LYS 74 CO 0.36 -0.74 0.06 -1.50 -0.36 0.00 0.00 175.35 173.18 3hct s ILE 75 N 2.14 0.08 -0.89 5.43 2.07 -1.26 -4.77 121.20 123.99 3hct s ILE 75 Ca 0.75 -0.64 -0.12 0.00 -1.41 0.00 0.00 60.65 59.23 3hct s ILE 75 Cb -0.44 -0.31 0.23 0.00 0.13 0.00 0.00 42.46 42.07 3hct s ILE 75 CO 0.33 -0.35 0.84 -0.47 -1.91 0.00 0.00 174.94 173.37 3hct s TYR 76 N -1.15 3.87 0.01 3.50 5.04 -1.26 -4.99 117.35 122.37 3hct s TYR 76 Ca -0.12 -2.21 -0.00 0.00 -2.44 0.00 0.00 57.07 52.29 3hct s TYR 76 Cb -0.07 -3.79 -0.01 0.00 0.35 0.00 0.00 41.96 38.45 3hct s TYR 76 CO 0.00 -0.97 -0.01 -1.58 -1.34 0.00 0.00 175.55 171.65 3hct s HIS 77 N -0.22 0.08 0.41 4.97 2.46 -1.26 -4.61 115.29 117.12 3hct s HIS 77 Ca 0.21 -0.16 0.12 0.00 0.47 0.00 0.00 55.06 55.70 3hct s HIS 77 Cb -0.10 -0.06 0.87 0.00 -0.13 0.00 0.00 32.58 33.15 3hct s HIS 77 CO -0.09 -0.06 1.94 -1.35 -2.47 0.00 0.00 174.74 172.71 3hct h PRO 78 N 5.69 0.12 -0.47 2.88 0.11 -1.90 -3.06 132.00 135.36 3hct h PRO 78 Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3hct h PRO 78 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hct h PRO 78 CO 0.48 0.30 0.00 0.09 -0.21 0.00 0.00 178.00 178.66 3hct n ASN 79 N -4.28 2.75 -3.98 -2.05 4.13 -1.26 -4.72 115.26 105.85 3hct n ASN 79 Ca -0.02 -1.97 -0.29 0.00 1.68 0.00 0.00 54.58 53.98 3hct n ASN 79 Cb 0.27 -0.31 -0.16 0.00 -1.54 0.00 0.00 39.78 38.03 3hct n ASN 79 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3hct s VAL 80 N -1.37 1.43 0.84 2.41 1.01 -1.16 -0.20 120.40 123.36 3hct s VAL 80 Ca 0.35 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 3hct s VAL 80 Cb 0.19 -1.41 0.17 0.00 0.00 0.00 0.00 36.38 35.32 3hct s VAL 80 CO 0.25 0.36 1.15 1.51 0.00 0.00 0.00 175.10 178.37 3hct s ASP 81 N 1.53 3.71 0.46 3.32 1.47 -0.51 -4.60 116.67 122.04 3hct s ASP 81 Ca 0.03 -0.15 0.21 0.00 1.18 0.00 0.00 52.55 53.83 3hct s ASP 81 Cb -0.14 -0.04 1.13 0.00 -0.34 0.00 0.00 42.92 43.53 3hct s ASP 81 CO -0.09 -2.31 1.96 0.50 0.68 0.00 0.00 175.17 175.91 3hct h LYS 82 N -1.06 0.00 -0.14 2.11 1.63 -1.96 -0.58 116.57 116.58 3hct h LYS 82 Ca -0.39 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 3hct h LYS 82 Cb 1.25 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 3hct h LYS 82 CO 0.37 0.21 0.00 1.28 -3.45 0.00 0.00 179.45 177.86 3hct n LEU 83 N -3.83 0.73 0.00 5.20 4.77 -1.26 -4.87 117.00 117.73 3hct n LEU 83 Ca -0.02 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 3hct n LEU 83 Cb 0.31 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3hct n LEU 83 CO 0.34 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3hct n GLY 84 N 0.72 0.48 3.76 -0.72 0.00 -0.22 -4.87 105.19 104.34 3hct n GLY 84 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3hct n GLY 84 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hct s ARG 85 N -0.51 4.47 -0.17 1.61 3.52 -1.26 -0.70 118.95 125.91 3hct s ARG 85 Ca 0.00 1.97 -0.04 0.00 -0.13 0.00 0.00 55.73 57.53 3hct s ARG 85 Cb 0.00 -3.09 -0.03 0.00 -1.56 0.00 0.00 34.95 30.27 3hct s ARG 85 CO 0.00 0.00 -0.03 0.42 -0.81 0.00 0.00 175.30 174.89 3hct s ILE 86 N -1.18 3.94 -0.78 4.11 1.01 -1.26 -1.43 121.20 125.61 3hct s ILE 86 Ca 0.47 -0.34 -0.20 0.00 0.00 0.00 0.00 60.65 60.59 3hct s ILE 86 Cb -0.35 -2.74 0.11 0.00 0.01 0.00 0.00 42.46 39.49 3hct s ILE 86 CO 0.46 0.48 0.98 0.00 0.00 0.00 0.00 174.94 176.85 3hct s LEU 88 N 2.96 0.91 0.20 0.00 0.20 -1.26 -4.91 118.68 116.78 3hct s LEU 88 Ca 0.25 -0.11 -0.16 0.00 0.69 0.00 0.00 54.13 54.80 3hct s LEU 88 Cb -0.12 -0.46 0.19 0.00 -0.43 0.00 0.00 46.19 45.37 3hct s LEU 88 CO -0.01 -0.14 1.63 -2.24 -0.29 0.00 0.00 176.35 175.31 3hct h ASP 89 N 7.87 -0.64 0.19 3.68 2.03 -1.99 0.21 116.42 127.77 3hct h ASP 89 Ca -0.28 0.18 0.00 0.00 -0.73 0.00 0.00 57.03 56.20 3hct h ASP 89 Cb 1.14 0.39 0.00 0.00 -0.83 0.00 0.00 39.33 40.03 3hct h ASP 89 CO 0.35 -0.22 0.00 2.30 -1.03 0.00 0.00 179.24 180.65 3hct n ILE 90 N -5.41 0.60 0.82 4.15 -5.35 -1.26 -0.98 119.36 111.93 3hct n ILE 90 Ca 0.06 0.15 0.09 0.00 -0.27 0.00 0.00 62.75 62.78 3hct n ILE 90 Cb 0.31 -0.96 -0.03 0.00 -1.74 0.00 0.00 39.64 37.23 3hct n ILE 90 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3hct n LEU 91 N -1.25 1.54 0.00 7.28 4.77 0.04 -3.76 117.00 125.62 3hct n LEU 91 Ca 0.06 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 3hct n LEU 91 Cb 0.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3hct n LEU 91 CO 0.09 0.30 0.00 0.29 -1.33 0.00 0.00 177.39 176.74 3hct n LYS 92 N -0.41 0.00 -0.07 3.23 5.02 -0.15 -4.90 118.16 120.87 3hct n LYS 92 Ca 0.07 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.31 3hct n LYS 92 Cb 0.36 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.20 3hct n LYS 92 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3hct n ASP 93 N -1.34 0.01 -2.14 4.39 8.00 -0.55 -4.55 116.55 120.37 3hct n ASP 93 Ca 0.00 0.01 -0.20 0.00 0.71 0.00 0.00 54.79 55.31 3hct n ASP 93 Cb 0.00 1.25 0.21 0.00 -0.02 0.00 0.00 41.12 42.56 3hct n ASP 93 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hct n LYS 94 N -2.62 2.54 -2.78 -1.24 5.02 -0.26 -4.98 118.16 113.84 3hct n LYS 94 Ca -0.25 -3.04 -0.33 0.00 -2.02 0.00 0.00 58.31 52.67 3hct n LYS 94 Cb 1.00 -2.17 -0.06 0.00 -0.02 0.00 0.00 35.03 33.77 3hct n LYS 94 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 3hct s TRP 95 N -3.24 3.27 -0.04 2.13 -0.11 -1.25 -4.56 118.94 115.14 3hct s TRP 95 Ca 0.56 1.60 -0.10 0.00 1.22 0.00 0.00 56.10 59.39 3hct s TRP 95 Cb 0.47 -2.88 0.02 0.00 -1.50 0.00 0.00 33.47 29.57 3hct s TRP 95 CO 0.11 -0.21 0.22 0.45 -4.62 0.00 0.00 176.95 172.90 3hct s SER 96 N -2.16 -0.13 0.11 5.86 0.15 -1.26 -5.02 113.70 111.24 3hct s SER 96 Ca 0.63 0.12 0.11 0.00 0.70 0.00 0.00 55.95 57.52 3hct s SER 96 Cb -0.10 0.34 0.55 0.00 -1.71 0.00 0.00 66.02 65.10 3hct s SER 96 CO 0.14 -0.29 1.35 -2.65 1.20 0.00 0.00 173.24 173.00 3hct n PRO 97 N 1.94 0.06 0.18 5.44 -0.02 -1.25 -1.14 135.00 140.22 3hct n PRO 97 Ca -0.19 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 61.88 3hct n PRO 97 Cb 0.57 -1.66 0.13 0.00 -0.02 0.00 0.00 33.50 32.52 3hct n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hct h ALA 98 N 2.14 0.86 -2.31 3.55 0.00 -1.96 -3.46 119.26 118.08 3hct h ALA 98 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3hct h ALA 98 Cb 0.10 0.00 0.06 0.00 0.00 0.00 0.00 17.79 17.95 3hct h ALA 98 CO 0.00 0.00 0.39 -0.51 0.00 0.00 0.00 179.25 179.13 3hct s LEU 99 N -5.89 3.34 0.36 0.00 1.43 -0.29 -5.07 118.68 112.56 3hct s LEU 99 Ca 0.05 1.59 0.04 0.00 -1.03 0.00 0.00 54.13 54.77 3hct s LEU 99 Cb 0.07 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.75 3hct s LEU 99 CO 0.70 -1.03 0.12 -1.10 0.23 0.00 0.00 176.35 175.27 3hct s GLN 100 N -4.68 1.77 0.23 1.70 -0.21 -1.26 -4.94 119.66 112.28 3hct s GLN 100 Ca 0.58 -2.04 -0.06 0.00 0.02 0.00 0.00 55.36 53.86 3hct s GLN 100 Cb -0.13 -0.51 0.30 0.00 1.00 0.00 0.00 33.01 33.67 3hct s GLN 100 CO 0.46 -0.41 1.85 0.82 -2.12 0.00 0.00 175.29 175.89 3hct h ILE 101 N 1.98 1.05 -0.87 1.08 2.04 -1.98 -1.31 117.51 119.50 3hct h ILE 101 Ca -0.36 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.25 3hct h ILE 101 Cb 1.26 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 3hct h ILE 101 CO 0.58 0.17 0.53 -0.09 0.00 0.00 0.00 178.15 179.34 3hct h ARG 102 N 0.94 0.92 -0.37 2.37 2.43 -1.96 0.04 114.38 118.75 3hct h ARG 102 Ca 0.35 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.48 3hct h ARG 102 Cb 0.14 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 3hct h ARG 102 CO -0.16 0.61 0.23 1.15 -1.51 0.00 0.00 179.97 180.28 3hct h THR 103 N 0.94 1.07 -0.05 0.20 2.02 -1.65 0.40 112.91 115.84 3hct h THR 103 Ca 0.39 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.41 3hct h THR 103 Cb 0.23 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 3hct h THR 103 CO -0.19 0.09 0.02 0.58 0.37 0.00 0.00 175.52 176.38 3hct h VAL 104 N 0.47 1.11 -0.14 3.16 2.07 -0.72 0.33 116.25 122.53 3hct h VAL 104 Ca 0.14 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.37 3hct h VAL 104 Cb -0.03 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3hct h VAL 104 CO -0.05 0.09 -0.09 -0.07 0.02 0.00 0.00 177.57 177.48 3hct h LEU 105 N -0.05 -0.28 -1.08 2.57 4.07 -0.79 0.48 115.31 120.22 3hct h LEU 105 Ca 0.02 0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 3hct h LEU 105 Cb 0.13 0.15 -0.04 0.00 1.08 0.00 0.00 40.66 41.98 3hct h LEU 105 CO -0.00 -0.12 0.39 -0.07 -1.08 0.00 0.00 178.44 177.56 3hct h LEU 106 N -0.09 0.92 -0.59 1.67 3.38 -0.82 -1.47 115.31 118.32 3hct h LEU 106 Ca 0.08 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 3hct h LEU 106 Cb 0.21 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3hct h LEU 106 CO -0.20 0.75 -0.16 -1.28 0.09 0.00 0.00 178.44 177.65 3hct h SER 107 N 1.03 0.97 -0.44 -0.43 0.87 -0.30 -1.75 113.55 113.49 3hct h SER 107 Ca 0.26 -0.33 -0.14 0.00 -1.23 0.00 0.00 61.79 60.34 3hct h SER 107 Cb 0.05 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 3hct h SER 107 CO -0.04 1.11 -0.27 0.40 -0.53 0.00 0.00 176.83 177.50 3hct h ILE 108 N 0.84 1.27 -0.95 2.23 2.04 -0.57 -1.65 117.51 120.72 3hct h ILE 108 Ca 0.12 -1.44 0.01 0.00 1.00 0.00 0.00 64.86 64.55 3hct h ILE 108 Cb 0.71 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 3hct h ILE 108 CO 0.05 0.49 0.61 -0.61 0.00 0.00 0.00 178.15 178.70 3hct h GLN 109 N 0.83 1.26 -0.33 2.37 4.15 -1.10 -1.89 115.11 120.39 3hct h GLN 109 Ca 0.10 -0.09 -0.12 0.00 0.77 0.00 0.00 58.65 59.31 3hct h GLN 109 Cb 0.85 -0.28 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 3hct h GLN 109 CO 0.08 0.85 -0.28 0.00 -1.93 0.00 0.00 178.83 177.55 3hct h ALA 110 N 1.34 0.90 -0.49 3.38 0.00 -1.13 -2.81 119.26 120.44 3hct h ALA 110 Ca 0.34 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3hct h ALA 110 Cb -0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3hct h ALA 110 CO -0.07 0.62 0.33 1.25 0.00 0.00 0.00 179.25 181.38 3hct h LEU 111 N 0.58 0.47 -1.12 0.00 5.85 -0.49 0.26 115.31 120.86 3hct h LEU 111 Ca 0.07 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 3hct h LEU 111 Cb 0.77 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 3hct h LEU 111 CO 0.06 0.32 -0.43 -0.07 -0.34 0.00 0.00 178.44 177.99 3hct h LEU 112 N 0.54 0.00 0.00 2.25 3.38 -1.20 -2.71 115.31 117.57 3hct h LEU 112 Ca 0.20 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.91 3hct h LEU 112 Cb 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3hct h LEU 112 CO -0.05 0.43 -1.47 0.28 0.09 0.00 0.00 178.44 177.72 3hct h SER 113 N 0.00 0.00 -2.51 -0.43 0.02 -1.01 -3.42 113.55 106.20 3hct h SER 113 Ca -0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.35 3hct h SER 113 Cb 0.79 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.93 3hct h SER 113 CO 0.06 0.98 -0.80 0.00 -1.14 0.00 0.00 176.83 175.92 3hct n ALA 114 N -2.48 3.17 -1.67 3.77 0.00 0.72 -5.02 120.51 118.99 3hct n ALA 114 Ca -0.11 -3.89 -0.42 0.00 0.00 0.00 0.00 53.44 49.01 3hct n ALA 114 Cb 1.01 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.58 3hct n ALA 114 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hct n PRO 115 N 1.99 1.86 -3.67 0.00 -0.02 -1.04 -4.65 135.00 129.47 3hct n PRO 115 Ca 0.25 0.66 -0.35 0.00 -2.02 0.00 0.00 63.50 62.03 3hct n PRO 115 Cb 0.43 -2.24 -0.07 0.00 -0.02 0.00 0.00 33.50 31.60 3hct n PRO 115 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3hct s ASN 116 N -0.47 5.83 0.00 2.55 2.47 -1.26 -4.90 114.94 119.16 3hct s ASN 116 Ca 0.58 -3.65 0.08 0.00 0.42 0.00 0.00 52.86 50.29 3hct s ASN 116 Cb -0.57 -1.88 0.46 0.00 -1.45 0.00 0.00 41.25 37.82 3hct s ASN 116 CO 0.60 -0.19 1.02 -0.81 -3.72 0.00 0.00 177.10 174.00 3hct n PRO 117 N 2.41 0.66 -0.72 0.43 -0.04 -1.26 -4.13 135.00 132.35 3hct n PRO 117 Ca 0.20 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.60 3hct n PRO 117 Cb 0.37 -1.18 -0.09 0.00 -0.04 0.00 0.00 33.50 32.56 3hct n PRO 117 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3hct n ASP 118 N -0.68 4.90 -4.82 3.54 4.64 -1.26 -4.75 116.55 118.12 3hct n ASP 118 Ca 0.06 -2.36 -0.32 0.00 -1.38 0.00 0.00 54.79 50.79 3hct n ASP 118 Cb 0.03 -1.19 -0.06 0.00 -1.04 0.00 0.00 41.12 38.85 3hct n ASP 118 CO 0.00 0.00 0.00 -1.81 -0.82 0.00 0.00 177.20 174.57 3hct s ASP 119 N 2.04 5.81 0.00 1.67 -0.00 -1.26 -4.99 116.67 119.95 3hct s ASP 119 Ca 0.34 0.13 0.08 0.00 -0.00 0.00 0.00 52.55 53.10 3hct s ASP 119 Cb 0.16 -1.67 0.41 0.00 -0.00 0.00 0.00 42.92 41.82 3hct s ASP 119 CO 0.00 0.21 1.03 -0.81 -0.00 0.00 0.00 175.17 175.60 3hct n PRO 120 N 0.72 0.16 0.00 8.23 -0.04 -1.26 -4.60 135.00 138.21 3hct n PRO 120 Ca -0.10 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 3hct n PRO 120 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 3hct n PRO 120 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3hct n LEU 121 N -1.17 0.00 -2.04 1.53 7.94 -1.26 -4.99 117.00 117.01 3hct n LEU 121 Ca 0.04 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.84 3hct n LEU 121 Cb 0.05 0.25 -0.02 0.00 0.53 0.00 0.00 43.42 44.23 3hct n LEU 121 CO 0.05 -0.25 -0.12 0.00 -1.11 0.00 0.00 177.39 175.96 3hct n ALA 122 N -2.00 -0.57 -0.63 1.96 0.00 -1.26 -4.08 120.51 113.93 3hct n ALA 122 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3hct n ALA 122 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3hct n ALA 122 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hct n ASN 123 N -1.20 -2.56 -2.13 0.00 3.02 -1.26 -3.49 115.26 107.64 3hct n ASN 123 Ca -0.12 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.26 3hct n ASN 123 Cb 0.51 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.57 3hct n ASN 123 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3hct n ASP 124 N -1.74 5.76 0.00 6.41 2.03 -1.26 -3.48 116.55 124.27 3hct n ASP 124 Ca 0.00 -2.77 0.00 0.00 0.52 0.00 0.00 54.79 52.54 3hct n ASP 124 Cb 0.00 -1.31 0.00 0.00 -0.72 0.00 0.00 41.12 39.09 3hct n ASP 124 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3hct n VAL 125 N 1.72 0.00 0.06 5.18 0.31 -1.23 -4.60 118.33 119.77 3hct n VAL 125 Ca 0.41 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.61 3hct n VAL 125 Cb 0.74 -0.42 -0.09 0.00 -0.91 0.00 0.00 33.84 33.16 3hct n VAL 125 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hct h ALA 126 N 0.00 -0.16 -0.26 3.52 0.00 -1.63 -2.05 119.26 118.67 3hct h ALA 126 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3hct h ALA 126 Cb 0.54 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3hct h ALA 126 CO 0.00 -0.42 -0.19 0.93 0.00 0.00 0.00 179.25 179.57 3hct h GLU 127 N -0.49 0.47 -0.06 0.00 5.08 -1.80 -2.28 114.58 115.50 3hct h GLU 127 Ca -0.02 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 3hct h GLU 127 Cb 0.39 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3hct h GLU 127 CO 0.03 0.64 -0.26 1.96 -1.00 0.00 0.00 179.01 180.38 3hct h GLN 128 N 0.43 0.11 0.00 2.33 1.08 -1.80 0.59 115.11 117.85 3hct h GLN 128 Ca 0.07 -0.03 -0.14 0.00 -1.45 0.00 0.00 58.65 57.10 3hct h GLN 128 Cb 0.58 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 3hct h GLN 128 CO 0.04 0.37 -0.66 2.35 -0.95 0.00 0.00 178.83 179.98 3hct h TRP 129 N 0.10 0.00 0.01 2.96 2.91 -0.81 -2.29 115.95 118.83 3hct h TRP 129 Ca 0.02 0.00 -0.30 0.00 1.13 0.00 0.00 58.89 59.74 3hct h TRP 129 Cb 0.52 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.13 3hct h TRP 129 CO 0.00 0.66 -1.61 0.36 -1.03 0.00 0.00 178.44 176.82 3hct n LYS 130 N -3.50 0.58 -1.50 2.65 2.85 -0.91 -3.19 118.16 115.14 3hct n LYS 130 Ca -0.00 0.48 -0.35 0.00 -1.05 0.00 0.00 58.31 57.39 3hct n LYS 130 Cb 0.71 -1.68 0.07 0.00 -0.65 0.00 0.00 35.03 33.47 3hct n LYS 130 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3hct n THR 131 N -4.32 3.56 0.00 0.58 -2.24 0.20 -4.18 114.28 107.88 3hct n THR 131 Ca -0.38 -3.30 0.00 0.00 -2.27 0.00 0.00 64.05 58.10 3hct n THR 131 Cb 0.75 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 3hct n THR 131 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3hct n ASN 132 N -0.83 0.00 -0.31 3.42 5.15 -0.96 -4.83 115.26 116.90 3hct n ASN 132 Ca 0.60 0.00 0.07 0.00 -0.60 0.00 0.00 54.58 54.65 3hct n ASN 132 Cb 0.59 0.00 0.15 0.00 -0.53 0.00 0.00 39.78 39.99 3hct n ASN 132 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 3hct n GLU 133 N 0.00 -0.07 -0.27 1.20 2.13 -0.90 -0.34 120.64 122.38 3hct n GLU 133 Ca 0.00 1.32 0.01 0.00 0.66 0.00 0.00 57.16 59.15 3hct n GLU 133 Cb 0.00 -2.01 0.13 0.00 0.27 0.00 0.00 31.44 29.83 3hct n GLU 133 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hct h ALA 134 N 1.72 1.06 -0.02 4.31 0.00 -1.87 0.45 119.26 124.90 3hct h ALA 134 Ca 0.44 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 3hct h ALA 134 Cb 0.74 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3hct h ALA 134 CO -0.86 0.10 -0.06 0.37 0.00 0.00 0.00 179.25 178.80 3hct h GLN 135 N 0.77 0.06 -0.54 0.00 4.15 -1.01 -2.54 115.11 116.01 3hct h GLN 135 Ca 0.35 -0.05 0.09 0.00 0.77 0.00 0.00 58.65 59.82 3hct h GLN 135 Cb 0.26 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.89 3hct h GLN 135 CO -0.21 0.69 0.12 0.00 -1.93 0.00 0.00 178.83 177.49 3hct h ALA 136 N 0.38 0.62 -0.50 3.38 0.00 -1.05 0.13 119.26 122.22 3hct h ALA 136 Ca -0.00 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3hct h ALA 136 Cb 0.69 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3hct h ALA 136 CO 0.01 -0.30 0.32 0.82 0.00 0.00 0.00 179.25 180.10 3hct h ILE 137 N 0.25 1.10 0.00 0.00 2.04 -0.96 0.57 117.51 120.51 3hct h ILE 137 Ca 0.27 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 3hct h ILE 137 Cb 0.38 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3hct h ILE 137 CO -0.35 0.12 -0.26 -0.08 0.00 0.00 0.00 178.15 177.58 3hct h GLU 138 N 0.65 0.00 -0.12 2.37 4.57 -0.81 -1.02 114.58 120.22 3hct h GLU 138 Ca 0.19 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.15 3hct h GLU 138 Cb -0.04 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.56 3hct h GLU 138 CO -0.06 0.26 -0.79 1.15 -1.18 0.00 0.00 179.01 178.39 3hct h THR 139 N 0.00 1.30 -0.21 0.32 2.02 0.30 -1.53 112.91 115.12 3hct h THR 139 Ca -0.00 -2.04 -0.07 0.00 0.77 0.00 0.00 66.41 65.07 3hct h THR 139 Cb 0.50 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 3hct h THR 139 CO 0.03 0.64 -0.17 0.00 0.37 0.00 0.00 175.52 176.40 3hct h ALA 140 N 0.64 1.34 -0.22 6.16 0.00 -0.41 -0.32 119.26 126.45 3hct h ALA 140 Ca -0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 3hct h ALA 140 Cb 1.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3hct h ALA 140 CO 0.16 0.45 -0.01 -0.09 0.00 0.00 0.00 179.25 179.75 3hct h ARG 141 N 0.32 0.39 -0.64 0.00 1.12 -1.03 -1.65 114.38 112.88 3hct h ARG 141 Ca 0.06 -0.13 -0.08 0.00 -1.11 0.00 0.00 59.98 58.72 3hct h ARG 141 Cb 0.49 -0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 30.39 3hct h ARG 141 CO 0.03 0.59 0.10 0.00 -3.11 0.00 0.00 179.97 177.59 3hct h ALA 142 N 0.78 0.86 -0.23 2.80 0.00 -0.88 -2.41 119.26 120.17 3hct h ALA 142 Ca 0.06 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3hct h ALA 142 Cb 0.42 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hct h ALA 142 CO 0.01 0.62 -0.09 -1.49 0.00 0.00 0.00 179.25 178.30 3hct h TRP 143 N 0.98 0.39 0.28 0.00 4.06 -0.99 0.18 115.95 120.85 3hct h TRP 143 Ca 0.20 -0.04 -0.01 0.00 2.06 0.00 0.00 58.89 61.09 3hct h TRP 143 Cb 0.44 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.49 3hct h TRP 143 CO 0.03 0.46 -0.13 1.15 -3.56 0.00 0.00 178.44 176.39 3hct h THR 144 N 0.35 0.75 -0.02 1.49 2.02 -0.83 0.26 112.91 116.93 3hct h THR 144 Ca 0.07 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.03 3hct h THR 144 Cb 0.38 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3hct h THR 144 CO 0.02 0.03 -0.32 0.03 0.37 0.00 0.00 175.52 175.65 3hct h ARG 145 N -0.45 0.04 0.04 6.66 3.08 -1.17 0.32 114.38 122.89 3hct h ARG 145 Ca -0.04 -0.01 -0.22 0.00 0.07 0.00 0.00 59.98 59.78 3hct h ARG 145 Cb 0.34 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3hct h ARG 145 CO 0.06 0.36 -1.04 -0.07 -1.07 0.00 0.00 179.97 178.22 3hct h LEU 146 N 0.03 0.15 0.00 3.04 3.38 -0.66 -3.40 115.31 117.85 3hct h LEU 146 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3hct h LEU 146 Cb 0.59 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3hct h LEU 146 CO 0.04 1.08 -0.43 -1.22 0.09 0.00 0.00 178.44 178.01 3hct n TYR 147 N -3.46 0.00 -1.28 1.13 4.01 0.89 -4.83 117.16 113.62 3hct n TYR 147 Ca -0.03 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.75 3hct n TYR 147 Cb 0.93 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 40.17 3hct n TYR 147 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hct n ALA 148 N -0.91 3.42 -1.46 -0.72 0.00 0.11 -4.60 120.51 116.36 3hct n ALA 148 Ca 0.00 -2.85 -0.00 0.00 0.00 0.00 0.00 53.44 50.59 3hct n ALA 148 Cb 0.00 -0.59 0.20 0.00 0.00 0.00 0.00 19.45 19.07 3hct n ALA 148 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3hct n MET 149 N -1.04 1.80 0.00 0.00 2.81 -1.20 -0.46 117.12 119.02 3hct n MET 149 Ca 0.24 -3.18 0.00 0.00 -1.81 0.00 0.00 57.70 52.95 3hct n MET 149 Cb 0.85 -1.75 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 3hct n MET 149 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3hct n ASN 150 N -1.11 0.00 0.00 7.83 5.03 -1.26 -5.07 115.26 120.68 3hct n ASN 150 Ca 0.28 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.73 3hct n ASN 150 Cb 0.92 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.68 3hct n ASN 150 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02