#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf5 n ARG 9 N 0.00 0.00 0.00 -4.13 5.12 -1.26 -4.51 116.66 111.88 3cf5 n ARG 9 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3cf5 n ARG 9 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3cf5 n ARG 9 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 3cf5 n ASN 10 N 1.57 0.00 0.00 0.55 6.94 -1.26 -5.04 115.26 118.02 3cf5 n ASN 10 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3cf5 n ASN 10 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 3cf5 n ASN 10 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3cf5 n LYS 11 N 0.00 0.00 -0.00 -3.83 5.02 -1.26 -0.82 118.16 117.26 3cf5 n LYS 11 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3cf5 n LYS 11 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3cf5 n LYS 11 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3cf5 n LYS 12 N 0.00 -0.00 -0.16 1.97 4.81 -1.26 0.55 118.16 124.06 3cf5 n LYS 12 Ca 0.00 0.01 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 3cf5 n LYS 12 Cb 0.00 -0.01 -0.00 0.00 0.02 0.00 0.00 35.03 35.04 3cf5 n LYS 12 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 3cf5 h GLN 13 N 0.00 1.00 0.14 1.64 1.08 -1.34 -3.01 115.11 114.63 3cf5 h GLN 13 Ca 0.00 -0.42 0.01 0.00 -1.45 0.00 0.00 58.65 56.79 3cf5 h GLN 13 Cb 0.00 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 3cf5 h GLN 13 CO -0.00 1.10 -0.17 -0.09 -0.95 0.00 0.00 178.83 178.71 3cf5 h ARG 14 N 0.86 -0.35 -0.44 1.46 2.43 1.38 0.30 114.38 120.03 3cf5 h ARG 14 Ca 0.11 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.43 3cf5 h ARG 14 Cb 0.79 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 3cf5 h ARG 14 CO 0.07 -0.23 0.71 0.87 -1.51 0.00 0.00 179.97 179.88 3cf5 h LYS 15 N -0.36 0.00 0.00 0.20 1.57 -1.18 0.25 116.57 117.05 3cf5 h LYS 15 Ca 0.01 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.45 3cf5 h LYS 15 Cb 0.36 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.61 3cf5 h LYS 15 CO -0.07 0.00 -2.28 0.00 -0.57 0.00 0.00 179.45 176.53 3cf5 n GLN 16 N -3.23 0.76 0.16 3.15 10.64 -0.64 -4.21 117.38 124.01 3cf5 n GLN 16 Ca 0.09 0.08 0.12 0.00 -1.83 0.00 0.00 57.00 55.46 3cf5 n GLN 16 Cb 0.87 -1.46 0.55 0.00 -0.86 0.00 0.00 30.24 29.34 3cf5 n GLN 16 CO 0.00 0.00 0.00 -0.56 -1.83 0.00 0.00 177.06 174.67 3cf5 h GLN 17 N 0.00 0.00 -4.90 2.61 3.07 0.22 -3.44 115.11 112.66 3cf5 h GLN 17 Ca -0.50 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 57.95 3cf5 h GLN 17 Cb 1.91 0.00 -0.15 0.00 0.08 0.00 0.00 27.48 29.32 3cf5 h GLN 17 CO -0.04 0.00 -0.70 0.08 0.09 0.00 0.00 178.83 178.26 3cf5 s VAL 18 N -3.42 0.94 -0.03 1.86 1.01 0.62 -5.06 120.40 116.33 3cf5 s VAL 18 Ca 0.02 -2.01 0.05 0.00 0.00 0.00 0.00 61.98 60.04 3cf5 s VAL 18 Cb 0.09 -1.86 -0.07 0.00 0.00 0.00 0.00 36.38 34.54 3cf5 s VAL 18 CO 0.36 -0.73 0.06 1.17 0.00 0.00 0.00 175.10 175.96 3cf5 n LYS 19 N -0.16 1.83 -1.68 2.72 4.81 -1.26 -4.72 118.16 119.69 3cf5 n LYS 19 Ca -0.10 -0.02 -0.01 0.00 -0.87 0.00 0.00 58.31 57.31 3cf5 n LYS 19 Cb 0.61 -1.12 -0.01 0.00 0.02 0.00 0.00 35.03 34.53 3cf5 n LYS 19 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3cf5 n LEU 20 N -1.94 -2.83 -4.57 3.14 7.94 -1.26 -5.08 117.00 112.40 3cf5 n LEU 20 Ca -0.05 0.47 -0.26 0.00 -1.11 0.00 0.00 56.01 55.07 3cf5 n LEU 20 Cb 0.41 -1.46 -0.09 0.00 0.53 0.00 0.00 43.42 42.81 3cf5 n LEU 20 CO 0.10 -0.80 -0.41 -0.13 -1.11 0.00 0.00 177.39 175.05 3cf5 s ARG 21 N -0.99 2.04 -0.47 1.96 0.52 -1.26 -5.09 118.95 115.66 3cf5 s ARG 21 Ca -0.05 -1.33 0.04 0.00 -0.52 0.00 0.00 55.73 53.86 3cf5 s ARG 21 Cb 0.00 -2.12 0.12 0.00 0.52 0.00 0.00 34.95 33.48 3cf5 s ARG 21 CO 0.15 0.42 0.20 0.15 0.02 0.00 0.00 175.30 176.24 3cf5 s LYS 22 N -2.98 1.79 -0.31 3.54 1.02 -1.26 -5.09 119.74 116.46 3cf5 s LYS 22 Ca 0.26 -2.38 -0.29 0.00 0.02 0.00 0.00 55.97 53.58 3cf5 s LYS 22 Cb -0.08 -3.21 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 3cf5 s LYS 22 CO 0.16 -1.07 1.27 -2.14 -0.92 0.00 0.00 175.35 172.65 3cf5 s PRO 23 N 0.08 3.93 -0.38 -1.68 0.02 -1.26 -3.62 135.00 132.08 3cf5 s PRO 23 Ca 0.15 1.20 0.00 0.00 0.02 0.00 0.00 61.00 62.37 3cf5 s PRO 23 Cb -0.24 -3.86 0.00 0.00 0.02 0.00 0.00 34.50 30.42 3cf5 s PRO 23 CO -0.02 -1.10 0.00 0.41 -0.33 0.00 0.00 177.00 175.95 3cf5 n GLY 24 N 4.28 0.23 3.32 0.52 0.00 -1.26 -4.73 105.19 107.55 3cf5 n GLY 24 Ca 0.14 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 3cf5 n GLY 24 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3cf5 s PHE 25 N -2.21 2.74 0.10 1.61 5.36 -1.24 0.67 117.98 125.01 3cf5 s PHE 25 Ca 0.00 -0.79 -0.00 0.00 -0.96 0.00 0.00 56.93 55.18 3cf5 s PHE 25 Cb 0.00 -1.81 -0.04 0.00 -0.34 0.00 0.00 43.02 40.83 3cf5 s PHE 25 CO 0.00 -0.29 0.00 0.00 -1.46 0.00 0.00 175.22 173.47 3cf5 s ALA 26 N 0.39 0.80 -0.28 11.12 0.00 -1.04 -4.84 121.76 127.90 3cf5 s ALA 26 Ca -0.13 -1.37 -0.17 0.00 0.00 0.00 0.00 51.96 50.29 3cf5 s ALA 26 Cb -0.16 0.53 0.09 0.00 0.00 0.00 0.00 23.12 23.57 3cf5 s ALA 26 CO 0.06 -0.40 0.73 0.54 0.00 0.00 0.00 175.76 176.69 3cf5 s VAL 27 N -3.91 0.00 -0.36 0.00 0.11 -1.26 -1.86 120.40 113.12 3cf5 s VAL 27 Ca 0.16 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.06 3cf5 s VAL 27 Cb 0.07 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.92 3cf5 s VAL 27 CO -0.03 0.00 0.34 0.00 -3.33 0.00 0.00 175.10 172.08 3cf5 s ALA 28 N 1.46 3.49 -0.11 1.54 0.00 0.26 -4.93 121.76 123.47 3cf5 s ALA 28 Ca -0.09 -1.32 -0.05 0.00 0.00 0.00 0.00 51.96 50.51 3cf5 s ALA 28 Cb -0.05 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 3cf5 s ALA 28 CO -0.17 -1.15 0.08 0.15 0.00 0.00 0.00 175.76 174.68 3cf5 s LYS 29 N 1.95 3.26 -0.94 0.00 1.02 -1.26 0.56 119.74 124.34 3cf5 s LYS 29 Ca 0.10 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 55.85 3cf5 s LYS 29 Cb -0.17 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 3cf5 s LYS 29 CO 0.12 0.75 0.00 0.66 -0.92 0.00 0.00 175.35 175.95 3cf5 n TYR 30 N 2.05 -0.47 -2.22 3.18 4.01 -1.23 -4.97 117.16 117.51 3cf5 n TYR 30 Ca -0.19 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.12 3cf5 n TYR 30 Cb 0.54 -2.51 -0.02 0.00 -0.31 0.00 0.00 39.34 37.04 3cf5 n TYR 30 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3cf5 s VAL 31 N -2.53 3.89 0.00 -0.72 1.01 -0.31 -4.73 120.40 117.00 3cf5 s VAL 31 Ca 0.00 1.03 -0.17 0.00 0.00 0.00 0.00 61.98 62.84 3cf5 s VAL 31 Cb 0.00 -3.82 -0.21 0.00 0.00 0.00 0.00 36.38 32.35 3cf5 s VAL 31 CO 0.00 -0.26 1.22 0.54 0.00 0.00 0.00 175.10 176.60 3cf5 n ARG 32 N 7.28 0.00 -3.64 2.72 5.12 -1.26 -0.09 116.66 126.79 3cf5 n ARG 32 Ca 0.17 -0.70 -0.16 0.00 -1.93 0.00 0.00 57.85 55.23 3cf5 n ARG 32 Cb 0.45 -2.12 -0.07 0.00 -1.16 0.00 0.00 32.46 29.56 3cf5 n ARG 32 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 3cf5 s MET 33 N 5.68 0.86 -0.14 5.56 -1.94 -1.21 -4.95 119.30 123.15 3cf5 s MET 33 Ca 0.38 0.07 -0.29 0.00 -1.71 0.00 0.00 55.69 54.14 3cf5 s MET 33 Cb 0.08 0.40 -0.04 0.00 2.01 0.00 0.00 34.83 37.28 3cf5 s MET 33 CO 0.19 -0.25 1.64 0.45 -0.01 0.00 0.00 175.02 177.04 3cf5 s SER 34 N -1.19 6.50 0.12 3.03 0.15 -1.26 -2.56 113.70 118.48 3cf5 s SER 34 Ca -0.12 1.90 -0.23 0.00 0.70 0.00 0.00 55.95 58.20 3cf5 s SER 34 Cb -0.03 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.70 3cf5 s SER 34 CO 0.07 -1.12 1.17 -2.65 1.20 0.00 0.00 173.24 171.91 3cf5 n PRO 35 N 7.42 -0.33 -0.30 5.44 -0.02 -1.26 0.90 135.00 146.85 3cf5 n PRO 35 Ca 0.18 1.15 0.09 0.00 -2.02 0.00 0.00 63.50 62.90 3cf5 n PRO 35 Cb 0.44 -1.69 0.21 0.00 -0.02 0.00 0.00 33.50 32.44 3cf5 n PRO 35 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3cf5 h ARG 36 N 0.00 0.06 0.00 -0.52 2.43 -1.93 0.93 114.38 115.35 3cf5 h ARG 36 Ca 0.12 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3cf5 h ARG 36 Cb 0.31 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3cf5 h ARG 36 CO -0.72 0.04 -0.19 -0.22 -1.51 0.00 0.00 179.97 177.38 3cf5 h LYS 37 N 0.07 0.00 0.16 0.20 3.64 0.15 -3.11 116.57 117.67 3cf5 h LYS 37 Ca 0.49 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.56 3cf5 h LYS 37 Cb 0.91 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.74 3cf5 h LYS 37 CO -0.79 0.19 -1.52 0.28 -2.27 0.00 0.00 179.45 175.34 3cf5 h VAL 38 N 0.00 1.05 -1.18 2.00 2.07 0.14 -3.31 116.25 117.03 3cf5 h VAL 38 Ca -0.00 -2.48 0.35 0.00 0.82 0.00 0.00 66.70 65.38 3cf5 h VAL 38 Cb 0.35 2.81 -0.11 0.00 -1.52 0.00 0.00 31.29 32.82 3cf5 h VAL 38 CO 0.02 0.78 0.76 0.03 0.02 0.00 0.00 177.57 179.19 3cf5 h ARG 39 N -0.09 0.22 -0.29 1.57 -0.00 -0.82 0.71 114.38 115.69 3cf5 h ARG 39 Ca -0.30 -0.01 0.07 0.00 -0.50 0.00 0.00 59.98 59.23 3cf5 h ARG 39 Cb 1.93 -0.05 -0.07 0.00 0.00 0.00 0.00 29.97 31.78 3cf5 h ARG 39 CO 0.14 0.15 -0.19 -0.07 0.00 0.00 0.00 179.97 179.99 3cf5 h LEU 40 N 0.23 -0.63 0.48 3.04 3.38 -1.64 1.74 115.31 121.91 3cf5 h LEU 40 Ca 0.70 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.77 3cf5 h LEU 40 Cb 2.04 0.32 0.00 0.00 0.09 0.00 0.00 40.66 43.11 3cf5 h LEU 40 CO -0.34 -0.23 -0.23 0.58 0.09 0.00 0.00 178.44 178.31 3cf5 h VAL 41 N -0.17 0.37 -0.49 1.22 2.07 0.22 -2.87 116.25 116.60 3cf5 h VAL 41 Ca 0.15 -0.46 0.14 0.00 0.82 0.00 0.00 66.70 67.35 3cf5 h VAL 41 Cb 0.40 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3cf5 h VAL 41 CO -0.39 0.06 0.47 0.58 0.02 0.00 0.00 177.57 178.32 3cf5 h VAL 42 N -0.98 0.43 -0.85 2.57 2.07 -0.95 -1.37 116.25 117.17 3cf5 h VAL 42 Ca -0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3cf5 h VAL 42 Cb 0.59 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3cf5 h VAL 42 CO 0.11 0.00 0.49 0.44 0.02 0.00 0.00 177.57 178.63 3cf5 h ASP 43 N 0.00 1.03 1.57 0.57 3.45 0.29 -2.75 116.42 120.58 3cf5 h ASP 43 Ca 0.23 -0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.62 3cf5 h ASP 43 Cb 1.18 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.69 3cf5 h ASP 43 CO -0.00 0.81 0.00 -0.37 -1.57 0.00 0.00 179.24 178.11 3cf5 h VAL 44 N 1.17 0.00 0.00 -1.35 -1.51 -1.30 -3.26 116.25 110.00 3cf5 h VAL 44 Ca 0.30 -0.75 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 3cf5 h VAL 44 Cb -0.01 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 3cf5 h VAL 44 CO -0.05 0.00 -0.85 -0.38 -1.23 0.00 0.00 177.57 175.06 3cf5 n ILE 45 N -2.95 0.17 -1.64 7.19 5.41 -1.06 -4.90 119.36 121.57 3cf5 n ILE 45 Ca 0.03 -0.20 -0.43 0.00 1.00 0.00 0.00 62.75 63.15 3cf5 n ILE 45 Cb 0.43 0.18 -0.03 0.00 -0.71 0.00 0.00 39.64 39.51 3cf5 n ILE 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 3cf5 n ARG 46 N -1.89 2.51 -1.60 0.38 3.00 -1.08 -3.29 116.66 114.70 3cf5 n ARG 46 Ca 0.03 0.87 0.00 0.00 -0.00 0.00 0.00 57.85 58.75 3cf5 n ARG 46 Cb 0.41 -3.02 0.00 0.00 0.00 0.00 0.00 32.46 29.86 3cf5 n ARG 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3cf5 n GLY 47 N 4.91 0.90 3.33 5.14 0.00 -1.13 -5.09 105.19 113.25 3cf5 n GLY 47 Ca 0.23 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 3cf5 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cf5 s LYS 48 N -3.35 1.15 -0.40 1.61 -2.85 -1.21 -4.86 119.74 109.84 3cf5 s LYS 48 Ca 0.00 -1.20 -0.37 0.00 -1.00 0.00 0.00 55.97 53.39 3cf5 s LYS 48 Cb 0.00 0.37 -0.16 0.00 -2.06 0.00 0.00 37.83 35.98 3cf5 s LYS 48 CO 0.00 -0.42 1.39 0.45 0.10 0.00 0.00 175.35 176.87 3cf5 n SER 49 N -0.21 0.88 0.02 0.03 2.88 -1.26 -1.98 113.62 113.98 3cf5 n SER 49 Ca -0.07 0.85 0.01 0.00 -1.33 0.00 0.00 58.87 58.33 3cf5 n SER 49 Cb 0.63 -0.71 0.06 0.00 -0.75 0.00 0.00 64.21 63.44 3cf5 n SER 49 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 3cf5 n VAL 50 N 3.70 1.59 0.21 2.46 3.14 -1.02 -0.48 118.33 127.93 3cf5 n VAL 50 Ca 0.30 0.53 -0.09 0.00 -2.96 0.00 0.00 64.34 62.12 3cf5 n VAL 50 Cb -0.04 -1.53 -0.04 0.00 -1.06 0.00 0.00 33.84 31.16 3cf5 n VAL 50 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 3cf5 h GLN 51 N 0.00 -0.56 -0.92 1.45 4.20 -1.84 -2.99 115.11 114.45 3cf5 h GLN 51 Ca 0.00 0.04 0.24 0.00 0.06 0.00 0.00 58.65 58.98 3cf5 h GLN 51 Cb 0.16 0.13 -0.13 0.00 0.30 0.00 0.00 27.48 27.94 3cf5 h GLN 51 CO 0.00 -0.37 0.42 -0.44 -0.67 0.00 0.00 178.83 177.76 3cf5 h ASP 52 N -0.99 0.36 -0.00 1.46 3.45 -1.11 0.11 116.42 119.69 3cf5 h ASP 52 Ca -0.06 0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.56 3cf5 h ASP 52 Cb 0.45 0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 39.35 3cf5 h ASP 52 CO 0.10 -0.02 -0.02 0.00 -1.57 0.00 0.00 179.24 177.73 3cf5 h ALA 53 N 1.73 -0.44 -0.98 3.45 0.00 -1.32 0.80 119.26 122.51 3cf5 h ALA 53 Ca 0.59 -0.00 0.33 0.00 0.00 0.00 0.00 54.91 55.83 3cf5 h ALA 53 Cb 1.15 0.59 -0.17 0.00 0.00 0.00 0.00 17.79 19.36 3cf5 h ALA 53 CO -0.54 -0.44 0.34 0.93 0.00 0.00 0.00 179.25 179.54 3cf5 h GLU 54 N -0.02 0.08 0.52 0.00 5.08 -0.70 0.48 114.58 120.03 3cf5 h GLU 54 Ca 0.00 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3cf5 h GLU 54 Cb 0.02 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.26 3cf5 h GLU 54 CO -0.01 0.05 -0.25 -0.44 -1.00 0.00 0.00 179.01 177.36 3cf5 h ASP 55 N 0.08 -0.59 -0.00 1.42 3.45 -0.01 -2.67 116.42 118.10 3cf5 h ASP 55 Ca 0.71 0.02 0.00 0.00 0.43 0.00 0.00 57.03 58.19 3cf5 h ASP 55 Cb 1.69 0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 40.61 3cf5 h ASP 55 CO -0.78 -0.26 -0.04 -0.07 -1.57 0.00 0.00 179.24 176.53 3cf5 h LEU 56 N -1.03 -0.11 -0.60 1.55 3.38 0.16 -1.90 115.31 116.77 3cf5 h LEU 56 Ca -0.07 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.03 3cf5 h LEU 56 Cb 0.54 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.22 3cf5 h LEU 56 CO 0.12 -0.03 -0.16 0.18 0.09 0.00 0.00 178.44 178.63 3cf5 n LEU 57 N -2.72 -0.24 -0.26 1.67 4.77 0.06 0.16 117.00 120.43 3cf5 n LEU 57 Ca -0.00 1.03 0.28 0.00 -0.03 0.00 0.00 56.01 57.29 3cf5 n LEU 57 Cb 0.03 -0.30 0.66 0.00 -2.33 0.00 0.00 43.42 41.48 3cf5 n LEU 57 CO 0.01 -0.98 1.27 -0.09 -1.33 0.00 0.00 177.39 176.27 3cf5 h ARG 58 N 0.00 0.12 0.00 3.23 2.43 -0.97 -2.63 114.38 116.56 3cf5 h ARG 58 Ca 0.27 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3cf5 h ARG 58 Cb 0.42 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3cf5 h ARG 58 CO -0.61 0.08 -1.66 1.19 -1.51 0.00 0.00 179.97 177.46 3cf5 n PHE 59 N -4.34 0.00 -1.70 2.20 3.01 0.41 -4.98 117.46 112.07 3cf5 n PHE 59 Ca 0.22 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.25 3cf5 n PHE 59 Cb 1.00 -0.33 -0.03 0.00 -0.01 0.00 0.00 39.48 40.11 3cf5 n PHE 59 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3cf5 n ILE 60 N -2.00 0.22 0.22 4.37 5.41 -0.82 -4.90 119.36 121.86 3cf5 n ILE 60 Ca -0.03 -0.04 0.07 0.00 1.00 0.00 0.00 62.75 63.75 3cf5 n ILE 60 Cb 0.38 -2.01 0.51 0.00 -0.71 0.00 0.00 39.64 37.81 3cf5 n ILE 60 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3cf5 h PRO 61 N 7.76 0.00 -6.99 0.38 0.11 -1.93 -3.46 132.00 127.88 3cf5 h PRO 61 Ca -0.45 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.14 3cf5 h PRO 61 Cb 1.22 0.00 0.08 0.00 0.11 0.00 0.00 31.00 32.42 3cf5 h PRO 61 CO 0.95 0.24 0.55 1.03 -0.21 0.00 0.00 178.00 180.56 3cf5 s ARG 62 N -4.23 3.72 0.15 1.05 1.81 -1.26 -4.89 118.95 115.30 3cf5 s ARG 62 Ca -0.03 2.00 0.26 0.00 -1.72 0.00 0.00 55.73 56.25 3cf5 s ARG 62 Cb 0.14 -2.51 0.82 0.00 -0.45 0.00 0.00 34.95 32.94 3cf5 s ARG 62 CO 0.67 -0.65 1.73 -1.13 -0.68 0.00 0.00 175.30 175.23 3cf5 n SER 63 N -0.36 0.62 0.32 0.23 3.41 -1.26 -2.50 113.62 114.09 3cf5 n SER 63 Ca 0.07 0.46 0.21 0.00 -0.26 0.00 0.00 58.87 59.34 3cf5 n SER 63 Cb 0.46 -0.55 1.10 0.00 -0.26 0.00 0.00 64.21 64.96 3cf5 n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cf5 h ALA 64 N 2.64 1.06 -0.17 7.33 0.00 -1.90 -2.95 119.26 125.28 3cf5 h ALA 64 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3cf5 h ALA 64 Cb 0.68 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 3cf5 h ALA 64 CO 0.00 0.01 -0.27 0.77 0.00 0.00 0.00 179.25 179.76 3cf5 h SER 65 N 0.00 -0.89 0.00 0.00 0.02 -1.83 -2.49 113.55 108.36 3cf5 h SER 65 Ca -0.00 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3cf5 h SER 65 Cb 0.09 0.36 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3cf5 h SER 65 CO 0.00 -0.21 0.00 1.21 -1.14 0.00 0.00 176.83 176.69 3cf5 n GLU 66 N -3.99 0.00 -0.08 3.45 2.13 -1.11 0.11 120.64 121.15 3cf5 n GLU 66 Ca -0.02 0.65 -0.08 0.00 0.66 0.00 0.00 57.16 58.38 3cf5 n GLU 66 Cb 0.17 -0.99 -0.02 0.00 0.27 0.00 0.00 31.44 30.87 3cf5 n GLU 66 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 3cf5 h PRO 67 N 0.00 -0.25 0.00 5.31 0.11 -1.75 1.36 132.00 136.77 3cf5 h PRO 67 Ca 0.00 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3cf5 h PRO 67 Cb 0.00 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.17 3cf5 h PRO 67 CO 0.00 -0.17 0.06 0.28 -0.21 0.00 0.00 178.00 177.96 3cf5 n VAL 68 N -5.40 0.55 -0.03 3.15 0.31 0.12 -1.83 118.33 115.19 3cf5 n VAL 68 Ca 0.00 0.19 -0.03 0.00 -0.01 0.00 0.00 64.34 64.50 3cf5 n VAL 68 Cb 0.32 -1.19 -0.01 0.00 -0.91 0.00 0.00 33.84 32.05 3cf5 n VAL 68 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3cf5 n ALA 69 N -1.05 0.26 0.25 3.52 0.00 0.46 -3.74 120.51 120.21 3cf5 n ALA 69 Ca 0.00 -0.34 0.14 0.00 0.00 0.00 0.00 53.44 53.24 3cf5 n ALA 69 Cb 0.06 0.01 0.60 0.00 0.00 0.00 0.00 19.45 20.12 3cf5 n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3cf5 h LYS 70 N -0.42 0.00 0.07 0.00 1.57 -0.46 0.62 116.57 117.96 3cf5 h LYS 70 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 3cf5 h LYS 70 Cb 0.29 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.61 3cf5 h LYS 70 CO 0.00 0.00 -0.58 0.28 -0.57 0.00 0.00 179.45 178.58 3cf5 h VAL 71 N 0.00 1.54 -0.23 0.50 2.07 -1.60 -3.00 116.25 115.53 3cf5 h VAL 71 Ca 0.07 -2.42 0.06 0.00 0.82 0.00 0.00 66.70 65.22 3cf5 h VAL 71 Cb 1.20 3.16 -0.07 0.00 -1.52 0.00 0.00 31.29 34.05 3cf5 h VAL 71 CO -0.00 0.64 -0.38 0.25 0.02 0.00 0.00 177.57 178.10 3cf5 h LEU 72 N -0.67 -1.22 -0.71 2.57 5.85 0.10 0.28 115.31 121.51 3cf5 h LEU 72 Ca -0.12 0.18 0.16 0.00 0.84 0.00 0.00 57.88 58.94 3cf5 h LEU 72 Cb 1.37 0.52 -0.12 0.00 0.37 0.00 0.00 40.66 42.80 3cf5 h LEU 72 CO 0.05 -0.38 0.08 -1.13 -0.34 0.00 0.00 178.44 176.72 3cf5 h ASN 73 N -0.40 -0.18 -0.41 1.25 -1.24 -1.22 0.26 115.58 113.64 3cf5 h ASN 73 Ca 0.11 0.16 -0.00 0.00 0.71 0.00 0.00 56.30 57.28 3cf5 h ASN 73 Cb 0.58 0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.88 3cf5 h ASN 73 CO -0.44 -0.11 0.25 -1.28 -1.29 0.00 0.00 177.43 174.56 3cf5 h SER 74 N 0.17 0.49 -0.34 1.15 0.87 -0.88 0.49 113.55 115.49 3cf5 h SER 74 Ca 0.39 -0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.96 3cf5 h SER 74 Cb 0.68 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 3cf5 h SER 74 CO -0.57 0.39 0.23 0.00 -0.53 0.00 0.00 176.83 176.35 3cf5 h ALA 75 N 1.12 2.04 0.08 6.23 0.00 0.87 -2.18 119.26 127.42 3cf5 h ALA 75 Ca 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3cf5 h ALA 75 Cb -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3cf5 h ALA 75 CO -0.03 -0.10 -0.04 -0.22 0.00 0.00 0.00 179.25 178.86 3cf5 h LYS 76 N 0.22 -0.11 0.00 0.00 3.64 -0.30 -2.95 116.57 117.07 3cf5 h LYS 76 Ca 0.15 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3cf5 h LYS 76 Cb 0.32 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3cf5 h LYS 76 CO -0.03 0.28 0.00 0.00 -2.27 0.00 0.00 179.45 177.43 3cf5 n ALA 77 N -2.67 1.11 0.01 5.00 0.00 0.16 -1.28 120.51 122.83 3cf5 n ALA 77 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.37 3cf5 n ALA 77 Cb 0.21 -0.74 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 3cf5 n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3cf5 n ASN 78 N -0.52 1.05 -0.35 0.00 5.03 -0.87 -3.85 115.26 115.74 3cf5 n ASN 78 Ca 0.00 0.15 0.34 0.00 0.87 0.00 0.00 54.58 55.93 3cf5 n ASN 78 Cb 0.00 -0.38 0.52 0.00 -1.02 0.00 0.00 39.78 38.90 3cf5 n ASN 78 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3cf5 n ALA 79 N -3.48 1.19 -0.97 5.41 0.00 -0.41 -0.85 120.51 121.41 3cf5 n ALA 79 Ca -0.03 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3cf5 n ALA 79 Cb 0.11 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3cf5 n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3cf5 n LEU 80 N -3.32 1.93 0.00 0.00 4.77 -0.47 0.53 117.00 120.45 3cf5 n LEU 80 Ca 0.28 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 3cf5 n LEU 80 Cb 1.57 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 42.65 3cf5 n LEU 80 CO 0.28 -0.02 0.00 1.57 -1.33 0.00 0.00 177.39 177.89 3cf5 n HIS 81 N -0.88 0.00 0.24 -1.77 -0.00 -0.03 0.16 115.22 112.95 3cf5 n HIS 81 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3cf5 n HIS 81 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 3cf5 n HIS 81 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 3cf5 n ASN 82 N 0.00 0.00 0.00 0.26 3.02 -1.01 -1.34 115.26 116.19 3cf5 n ASN 82 Ca 0.00 0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 3cf5 n ASN 82 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3cf5 n ASN 82 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3cf5 n ASP 83 N -2.04 2.22 -2.77 6.41 8.00 -0.70 -4.98 116.55 122.70 3cf5 n ASP 83 Ca 0.00 -0.19 -0.05 0.00 0.71 0.00 0.00 54.79 55.26 3cf5 n ASP 83 Cb 0.81 0.82 0.01 0.00 -0.02 0.00 0.00 41.12 42.73 3cf5 n ASP 83 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3cf5 n GLU 84 N -1.04 -1.89 -4.28 -1.24 1.02 0.42 -4.93 120.64 108.70 3cf5 n GLU 84 Ca 0.00 1.81 -0.17 0.00 -0.02 0.00 0.00 57.16 58.79 3cf5 n GLU 84 Cb 0.00 -5.30 -0.10 0.00 -0.02 0.00 0.00 31.44 26.02 3cf5 n GLU 84 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3cf5 s MET 85 N -2.60 1.14 -1.26 3.49 -1.94 0.19 -4.96 119.30 113.36 3cf5 s MET 85 Ca 0.16 -1.44 -0.19 0.00 -1.71 0.00 0.00 55.69 52.52 3cf5 s MET 85 Cb -0.05 -0.86 0.06 0.00 2.01 0.00 0.00 34.83 36.00 3cf5 s MET 85 CO 0.69 0.14 1.71 -1.17 -0.01 0.00 0.00 175.02 176.38 3cf5 s LEU 86 N -3.03 3.76 0.25 -0.03 2.96 -1.26 -4.62 118.68 116.72 3cf5 s LEU 86 Ca 0.16 -2.28 0.16 0.00 -0.22 0.00 0.00 54.13 51.96 3cf5 s LEU 86 Cb -0.00 -2.58 0.90 0.00 0.50 0.00 0.00 46.19 45.00 3cf5 s LEU 86 CO 0.03 -1.29 1.00 -1.84 -1.32 0.00 0.00 176.35 172.94 3cf5 n GLU 87 N 8.46 -0.03 -1.27 1.98 0.28 -1.26 -1.65 120.64 127.15 3cf5 n GLU 87 Ca 0.47 0.85 -0.22 0.00 -0.16 0.00 0.00 57.16 58.10 3cf5 n GLU 87 Cb 0.47 -1.58 -0.11 0.00 1.43 0.00 0.00 31.44 31.65 3cf5 n GLU 87 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3cf5 n ASP 88 N -4.26 6.17 0.00 -1.84 10.43 -1.26 -2.27 116.55 123.52 3cf5 n ASP 88 Ca 0.25 -2.79 0.00 0.00 2.57 0.00 0.00 54.79 54.82 3cf5 n ASP 88 Cb 0.89 -1.36 0.00 0.00 1.84 0.00 0.00 41.12 42.49 3cf5 n ASP 88 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 3cf5 n ARG 89 N 1.96 0.00 -0.75 -1.24 0.63 -0.66 -5.05 116.66 111.54 3cf5 n ARG 89 Ca 0.49 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 57.18 3cf5 n ARG 89 Cb 0.68 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.57 3cf5 n ARG 89 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3cf5 n LEU 90 N 0.00 4.29 -4.81 6.15 4.77 -0.96 0.31 117.00 126.75 3cf5 n LEU 90 Ca 0.00 -2.71 -0.34 0.00 -0.03 0.00 0.00 56.01 52.93 3cf5 n LEU 90 Cb 0.18 -1.04 -0.06 0.00 -2.33 0.00 0.00 43.42 40.17 3cf5 n LEU 90 CO 0.00 0.23 0.67 0.72 -1.33 0.00 0.00 177.39 177.68 3cf5 s PHE 91 N 3.92 3.26 -0.71 -1.77 -0.71 -0.81 -2.42 117.98 118.73 3cf5 s PHE 91 Ca 0.40 1.62 -0.26 0.00 -1.04 0.00 0.00 56.93 57.65 3cf5 s PHE 91 Cb 0.10 -2.92 -0.09 0.00 -1.21 0.00 0.00 43.02 38.90 3cf5 s PHE 91 CO 0.00 -0.29 2.25 0.08 -1.34 0.00 0.00 175.22 175.93 3cf5 s VAL 92 N -2.06 3.14 0.07 -2.49 1.01 -0.84 -1.35 120.40 117.88 3cf5 s VAL 92 Ca 0.62 -0.05 -0.22 0.00 0.00 0.00 0.00 61.98 62.34 3cf5 s VAL 92 Cb -0.12 -3.33 -0.12 0.00 0.00 0.00 0.00 36.38 32.80 3cf5 s VAL 92 CO 0.16 -0.32 1.57 0.50 0.00 0.00 0.00 175.10 177.01 3cf5 h LYS 93 N 14.54 0.19 -2.51 2.72 3.64 -1.11 -2.99 116.57 131.05 3cf5 h LYS 93 Ca -0.08 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.18 3cf5 h LYS 93 Cb 1.09 -0.03 -0.19 0.00 -0.41 0.00 0.00 32.23 32.70 3cf5 h LYS 93 CO 1.11 0.34 -0.00 -1.83 -2.27 0.00 0.00 179.45 176.80 3cf5 s GLU 94 N -5.35 0.92 -0.21 1.90 -1.05 0.05 -4.61 118.70 110.35 3cf5 s GLU 94 Ca -0.14 0.00 -0.27 0.00 -0.15 0.00 0.00 54.97 54.42 3cf5 s GLU 94 Cb 0.06 0.42 0.08 0.00 -0.44 0.00 0.00 34.13 34.25 3cf5 s GLU 94 CO 0.70 -0.29 0.76 0.00 0.95 0.00 0.00 175.26 177.38 3cf5 s ALA 95 N -1.48 -1.81 0.37 -0.84 0.00 -1.26 0.29 121.76 117.03 3cf5 s ALA 95 Ca -0.11 1.80 -0.10 0.00 0.00 0.00 0.00 51.96 53.55 3cf5 s ALA 95 Cb -0.02 -0.87 0.03 0.00 0.00 0.00 0.00 23.12 22.26 3cf5 s ALA 95 CO 0.06 -0.33 0.66 1.52 0.00 0.00 0.00 175.76 177.66 3cf5 s TYR 96 N -0.14 0.51 -0.09 0.00 -0.85 -0.80 -4.92 117.35 111.06 3cf5 s TYR 96 Ca -0.03 -1.00 -0.02 0.00 -0.52 0.00 0.00 57.07 55.50 3cf5 s TYR 96 Cb -0.03 0.45 0.04 0.00 0.38 0.00 0.00 41.96 42.79 3cf5 s TYR 96 CO 0.03 -1.39 0.03 0.08 -1.52 0.00 0.00 175.55 172.77 3cf5 s VAL 97 N -2.63 0.25 0.36 -3.49 1.01 -1.26 -2.93 120.40 111.70 3cf5 s VAL 97 Ca 0.22 0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.35 3cf5 s VAL 97 Cb -0.03 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 3cf5 s VAL 97 CO 0.15 0.14 0.26 -1.81 0.00 0.00 0.00 175.10 173.84 3cf5 s ASP 98 N 2.01 5.03 -0.07 3.32 1.01 -0.34 -4.94 116.67 122.70 3cf5 s ASP 98 Ca 0.04 -0.65 -0.02 0.00 0.71 0.00 0.00 52.55 52.63 3cf5 s ASP 98 Cb -0.13 -0.80 -0.04 0.00 1.01 0.00 0.00 42.92 42.96 3cf5 s ASP 98 CO -0.05 -0.40 0.03 0.00 0.21 0.00 0.00 175.17 174.96 3cf5 s ALA 99 N -2.38 3.41 0.25 5.23 0.00 -1.26 0.97 121.76 127.98 3cf5 s ALA 99 Ca 0.41 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.56 3cf5 s ALA 99 Cb -0.04 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.54 3cf5 s ALA 99 CO 0.25 0.62 0.00 0.41 0.00 0.00 0.00 175.76 177.04 3cf5 n GLY 100 N 1.88 1.47 2.28 0.00 0.00 0.13 -4.77 105.19 106.20 3cf5 n GLY 100 Ca -0.17 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 43.85 3cf5 n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3cf5 n PRO 101 N 0.00 -1.72 -3.45 1.61 -0.02 -1.26 -4.65 135.00 125.51 3cf5 n PRO 101 Ca 0.00 -0.66 -0.24 0.00 -2.02 0.00 0.00 63.50 60.58 3cf5 n PRO 101 Cb 0.00 -1.17 -0.12 0.00 -0.02 0.00 0.00 33.50 32.19 3cf5 n PRO 101 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3cf5 s THR 102 N -1.70 -0.14 -0.29 3.45 2.01 -1.26 -3.71 115.64 114.00 3cf5 s THR 102 Ca 0.30 -1.01 -0.34 0.00 0.31 0.00 0.00 61.69 60.96 3cf5 s THR 102 Cb -0.05 -0.96 -0.11 0.00 0.01 0.00 0.00 72.50 71.39 3cf5 s THR 102 CO 0.26 -0.71 2.12 0.18 -0.69 0.00 0.00 174.62 175.78 3cf5 n LEU 103 N 4.73 2.49 -4.92 4.42 4.77 -0.43 -4.81 117.00 123.26 3cf5 n LEU 103 Ca 0.03 0.50 -0.29 0.00 -0.03 0.00 0.00 56.01 56.23 3cf5 n LEU 103 Cb 0.42 -1.31 -0.03 0.00 -2.33 0.00 0.00 43.42 40.17 3cf5 n LEU 103 CO 0.07 -0.61 0.06 -0.54 -1.33 0.00 0.00 177.39 175.04 3cf5 s LYS 104 N 5.77 3.56 -0.27 3.23 -0.14 -1.26 -0.29 119.74 130.34 3cf5 s LYS 104 Ca 1.05 -0.21 -0.25 0.00 -1.36 0.00 0.00 55.97 55.20 3cf5 s LYS 104 Cb -0.77 -2.80 0.08 0.00 -1.68 0.00 0.00 37.83 32.66 3cf5 s LYS 104 CO 0.49 0.38 0.80 0.50 -0.76 0.00 0.00 175.35 176.76 3cf5 s ARG 105 N -3.21 0.75 0.25 1.68 3.52 -0.85 -4.93 118.95 116.15 3cf5 s ARG 105 Ca 0.40 0.89 -0.25 0.00 -0.13 0.00 0.00 55.73 56.64 3cf5 s ARG 105 Cb -0.11 0.37 -0.09 0.00 -1.56 0.00 0.00 34.95 33.56 3cf5 s ARG 105 CO 0.28 -0.09 0.85 -0.51 -0.81 0.00 0.00 175.30 175.02 3cf5 s LEU 106 N 0.33 4.44 -0.09 -0.88 1.43 -1.26 -0.07 118.68 122.59 3cf5 s LEU 106 Ca 0.01 1.70 -0.04 0.00 -1.03 0.00 0.00 54.13 54.77 3cf5 s LEU 106 Cb -0.05 -3.68 0.04 0.00 0.03 0.00 0.00 46.19 42.53 3cf5 s LEU 106 CO -0.01 0.05 0.19 -0.51 0.23 0.00 0.00 176.35 176.31 3cf5 s ILE 107 N -1.43 -0.08 0.44 -0.59 2.07 -1.02 -4.91 121.20 115.68 3cf5 s ILE 107 Ca 0.44 0.19 -0.24 0.00 -1.41 0.00 0.00 60.65 59.62 3cf5 s ILE 107 Cb -0.20 -0.31 -0.08 0.00 0.13 0.00 0.00 42.46 42.00 3cf5 s ILE 107 CO 0.25 0.08 1.24 -2.84 -1.91 0.00 0.00 174.94 171.76 3cf5 s PRO 108 N 1.37 3.79 0.23 3.50 0.02 -1.26 -1.47 135.00 141.18 3cf5 s PRO 108 Ca -0.08 1.99 0.04 0.00 0.02 0.00 0.00 61.00 62.97 3cf5 s PRO 108 Cb -0.11 -2.56 -0.05 0.00 0.02 0.00 0.00 34.50 31.80 3cf5 s PRO 108 CO -0.07 -0.59 -0.01 0.50 -0.33 0.00 0.00 177.00 176.50 3cf5 s ARG 109 N -2.49 1.33 0.40 5.54 6.06 -0.81 -4.85 118.95 124.13 3cf5 s ARG 109 Ca 0.61 -1.67 -0.24 0.00 -2.50 0.00 0.00 55.73 51.93 3cf5 s ARG 109 Cb -0.34 -0.65 -0.11 0.00 0.06 0.00 0.00 34.95 33.91 3cf5 s ARG 109 CO 0.42 -0.08 0.88 0.00 -2.50 0.00 0.00 175.30 174.02 3cf5 n ALA 110 N -0.41 -0.38 -3.86 6.12 0.00 -1.26 -3.23 120.51 117.50 3cf5 n ALA 110 Ca -0.05 0.23 -0.24 0.00 0.00 0.00 0.00 53.44 53.37 3cf5 n ALA 110 Cb 0.64 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3cf5 n ALA 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3cf5 n ARG 111 N 0.31 -4.08 0.00 0.00 1.74 -1.26 -3.66 116.66 109.71 3cf5 n ARG 111 Ca 0.10 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 3cf5 n ARG 111 Cb 0.38 -4.87 0.00 0.00 -1.02 0.00 0.00 32.46 26.95 3cf5 n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cf5 n GLY 112 N -1.78 2.08 2.83 -0.13 0.00 -1.20 -5.01 105.19 101.99 3cf5 n GLY 112 Ca -0.27 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 3cf5 n GLY 112 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cf5 n SER 113 N 3.75 -5.14 -4.06 1.61 3.41 -1.24 -4.54 113.62 107.41 3cf5 n SER 113 Ca 0.00 0.26 -0.08 0.00 -0.26 0.00 0.00 58.87 58.79 3cf5 n SER 113 Cb 0.00 -0.72 -0.10 0.00 -0.26 0.00 0.00 64.21 63.12 3cf5 n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cf5 s ALA 114 N -1.86 0.43 0.08 7.33 0.00 -1.26 -1.93 121.76 124.55 3cf5 s ALA 114 Ca 0.40 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.34 3cf5 s ALA 114 Cb -0.23 0.22 -0.00 0.00 0.00 0.00 0.00 23.12 23.11 3cf5 s ALA 114 CO 0.74 -0.29 0.01 0.09 0.00 0.00 0.00 175.76 176.31 3cf5 n ASN 115 N 0.57 1.68 -3.84 0.00 3.02 -0.54 -4.94 115.26 111.21 3cf5 n ASN 115 Ca -0.17 -1.37 -0.22 0.00 -0.03 0.00 0.00 54.58 52.79 3cf5 n ASN 115 Cb 0.59 0.11 -0.17 0.00 -0.61 0.00 0.00 39.78 39.70 3cf5 n ASN 115 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3cf5 s ILE 116 N -1.52 0.51 -0.05 2.41 1.01 -1.26 -2.44 121.20 119.86 3cf5 s ILE 116 Ca 0.02 -0.02 -0.18 0.00 0.00 0.00 0.00 60.65 60.47 3cf5 s ILE 116 Cb 0.00 -0.60 -0.05 0.00 0.01 0.00 0.00 42.46 41.82 3cf5 s ILE 116 CO 0.01 0.26 0.49 -0.63 0.00 0.00 0.00 174.94 175.07 3cf5 s ILE 117 N 1.52 5.06 -0.60 2.92 -1.09 0.91 -4.83 121.20 125.08 3cf5 s ILE 117 Ca -0.01 1.00 -0.19 0.00 -2.23 0.00 0.00 60.65 59.21 3cf5 s ILE 117 Cb -0.13 -3.82 0.10 0.00 -1.58 0.00 0.00 42.46 37.03 3cf5 s ILE 117 CO -0.03 0.43 0.73 -0.54 -1.23 0.00 0.00 174.94 174.30 3cf5 s LYS 118 N -0.12 3.05 -0.57 2.79 1.02 -1.26 -2.01 119.74 122.64 3cf5 s LYS 118 Ca 0.26 -1.24 -0.20 0.00 0.02 0.00 0.00 55.97 54.81 3cf5 s LYS 118 Cb -0.16 -4.26 0.08 0.00 -0.52 0.00 0.00 37.83 32.97 3cf5 s LYS 118 CO 0.13 -1.57 0.74 0.15 -0.92 0.00 0.00 175.35 173.89 3cf5 s LYS 119 N 2.86 3.11 0.55 1.68 1.02 0.60 -4.97 119.74 124.58 3cf5 s LYS 119 Ca 0.13 -0.99 -0.08 0.00 0.02 0.00 0.00 55.97 55.05 3cf5 s LYS 119 Cb -0.23 -4.18 0.12 0.00 -0.52 0.00 0.00 37.83 33.02 3cf5 s LYS 119 CO 0.07 -1.47 0.74 0.54 -0.92 0.00 0.00 175.35 174.31 3cf5 n ARG 120 N 6.61 -0.59 -3.71 1.68 1.74 -1.26 -1.32 116.66 119.82 3cf5 n ARG 120 Ca -0.06 -1.28 -0.11 0.00 -0.77 0.00 0.00 57.85 55.63 3cf5 n ARG 120 Cb 0.44 -0.73 -0.06 0.00 -1.02 0.00 0.00 32.46 31.10 3cf5 n ARG 120 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3cf5 s THR 121 N -2.52 0.08 -0.02 0.55 -4.23 -1.18 -3.36 115.64 104.96 3cf5 s THR 121 Ca 0.43 -0.64 0.02 0.00 -1.18 0.00 0.00 61.69 60.32 3cf5 s THR 121 Cb -0.01 -1.05 0.00 0.00 1.34 0.00 0.00 72.50 72.77 3cf5 s THR 121 CO 0.30 -0.35 -0.08 -0.44 -0.54 0.00 0.00 174.62 173.50 3cf5 s SER 122 N -2.34 1.04 -0.26 3.99 0.01 0.87 -0.69 113.70 116.32 3cf5 s SER 122 Ca -0.02 -0.16 -0.16 0.00 1.31 0.00 0.00 55.95 56.92 3cf5 s SER 122 Cb 0.01 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 3cf5 s SER 122 CO -0.06 0.07 0.44 -1.00 0.41 0.00 0.00 173.24 173.09 3cf5 s HIS 123 N 0.07 3.26 -0.25 2.43 3.76 0.27 -1.17 115.29 123.67 3cf5 s HIS 123 Ca -0.01 0.52 -0.02 0.00 -0.15 0.00 0.00 55.06 55.40 3cf5 s HIS 123 Cb -0.06 -2.63 0.02 0.00 1.11 0.00 0.00 32.58 31.02 3cf5 s HIS 123 CO 0.00 -0.24 -0.05 0.42 -0.85 0.00 0.00 174.74 174.02 3cf5 s ILE 124 N 2.13 2.99 0.09 0.60 1.01 0.19 -1.20 121.20 127.00 3cf5 s ILE 124 Ca 0.18 -0.97 0.10 0.00 0.00 0.00 0.00 60.65 59.96 3cf5 s ILE 124 Cb -0.16 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 3cf5 s ILE 124 CO 0.09 0.20 -0.26 0.42 0.00 0.00 0.00 174.94 175.40 3cf5 s THR 125 N 1.35 2.11 -0.07 2.92 -4.23 -1.15 0.89 115.64 117.46 3cf5 s THR 125 Ca 0.01 -1.54 -0.06 0.00 -1.18 0.00 0.00 61.69 58.91 3cf5 s THR 125 Cb -0.16 -1.84 0.02 0.00 1.34 0.00 0.00 72.50 71.86 3cf5 s THR 125 CO -0.04 0.20 0.19 -0.51 -0.54 0.00 0.00 174.62 173.92 3cf5 s ILE 126 N -0.94 -0.01 -0.10 2.99 1.10 -0.78 -1.91 121.20 121.55 3cf5 s ILE 126 Ca 0.12 0.03 0.03 0.00 -0.51 0.00 0.00 60.65 60.32 3cf5 s ILE 126 Cb -0.10 -0.28 0.01 0.00 0.15 0.00 0.00 42.46 42.24 3cf5 s ILE 126 CO 0.04 0.01 -0.21 -0.63 -2.11 0.00 0.00 174.94 172.04 3cf5 s ILE 127 N 0.31 1.87 -0.10 2.00 1.01 0.85 -2.50 121.20 124.64 3cf5 s ILE 127 Ca -0.02 -0.90 -0.03 0.00 0.00 0.00 0.00 60.65 59.70 3cf5 s ILE 127 Cb -0.03 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 3cf5 s ILE 127 CO -0.01 0.52 0.04 0.68 0.00 0.00 0.00 174.94 176.17 3cf5 s VAL 128 N 0.53 4.68 0.20 2.92 -7.23 0.21 -0.57 120.40 121.14 3cf5 s VAL 128 Ca -0.15 -0.11 0.02 0.00 -1.81 0.00 0.00 61.98 59.93 3cf5 s VAL 128 Cb -0.17 -2.99 -0.05 0.00 0.56 0.00 0.00 36.38 33.73 3cf5 s VAL 128 CO 0.05 0.61 0.01 0.00 -0.31 0.00 0.00 175.10 175.46 3cf5 s ALA 129 N -0.91 1.50 0.07 1.32 0.00 -0.46 -4.04 121.76 119.25 3cf5 s ALA 129 Ca 0.14 -1.66 -0.20 0.00 0.00 0.00 0.00 51.96 50.23 3cf5 s ALA 129 Cb -0.12 0.59 -0.07 0.00 0.00 0.00 0.00 23.12 23.53 3cf5 s ALA 129 CO 0.03 -0.32 0.60 -1.21 0.00 0.00 0.00 175.76 174.86 3cf5 s GLU 130 N -3.91 4.27 0.00 0.00 2.02 -1.26 -1.93 118.70 117.88 3cf5 s GLU 130 Ca 0.27 0.79 0.00 0.00 0.02 0.00 0.00 54.97 56.05 3cf5 s GLU 130 Cb 0.06 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 31.02 3cf5 s GLU 130 CO 0.06 0.57 0.00 1.17 0.02 0.00 0.00 175.26 177.08 3cf5 n LYS 131 N 1.95 0.00 -0.27 1.61 4.81 0.15 -4.89 118.16 121.51 3cf5 n LYS 131 Ca -0.09 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.37 3cf5 n LYS 131 Cb 0.51 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.55 3cf5 n LYS 131 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cf5 n GLY 132 N 3.48 -2.91 0.09 3.14 0.00 -1.26 -4.91 105.19 102.83 3cf5 n GLY 132 Ca 0.00 -1.29 -0.14 0.00 0.00 0.00 0.00 46.02 44.59 3cf5 n GLY 132 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cf5 n ASN 133 N -2.03 1.86 -0.19 1.61 5.03 -1.26 -5.21 115.26 115.06 3cf5 n ASN 133 Ca -0.01 0.49 0.02 0.00 0.87 0.00 0.00 54.58 55.95 3cf5 n ASN 133 Cb 0.10 -0.89 0.02 0.00 -1.02 0.00 0.00 39.78 38.00 3cf5 n ASN 133 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60