#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8f n LYS 3 N 0.00 -1.68 -4.20 -1.46 3.00 -1.26 -4.97 118.16 107.60 3i8f n LYS 3 Ca 0.00 0.62 -0.18 0.00 -0.00 0.00 0.00 58.31 58.76 3i8f n LYS 3 Cb 0.00 -4.84 -0.11 0.00 0.00 0.00 0.00 35.03 30.08 3i8f n LYS 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 3i8f s VAL 4 N -2.74 1.16 0.08 3.15 -7.23 -1.26 -4.10 120.40 109.46 3i8f s VAL 4 Ca 0.06 -1.51 -0.30 0.00 -1.81 0.00 0.00 61.98 58.42 3i8f s VAL 4 Cb -0.03 -1.28 -0.06 0.00 0.56 0.00 0.00 36.38 35.58 3i8f s VAL 4 CO 0.07 -0.35 1.14 0.00 -0.31 0.00 0.00 175.10 175.66 3i8f h GLU 6 N 6.41 0.00 0.00 0.00 5.08 -1.86 -1.52 114.58 122.69 3i8f h GLU 6 Ca -0.42 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.70 3i8f h GLU 6 Cb 1.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 3i8f h GLU 6 CO 0.78 0.00 -1.82 -0.89 -1.00 0.00 0.00 179.01 176.08 3i8f n ILE 7 N -2.35 0.81 0.01 3.13 5.41 -1.26 -4.74 119.36 120.37 3i8f n ILE 7 Ca 0.03 -0.25 -0.11 0.00 1.00 0.00 0.00 62.75 63.42 3i8f n ILE 7 Cb 0.29 -1.43 -0.14 0.00 -0.71 0.00 0.00 39.64 37.65 3i8f n ILE 7 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 3i8f h SER 8 N -0.33 0.13 0.00 4.38 4.64 -1.98 -3.48 113.55 116.91 3i8f h SER 8 Ca -0.35 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 3i8f h SER 8 Cb 1.39 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3i8f h SER 8 CO -0.16 1.19 0.00 0.61 -0.87 0.00 0.00 176.83 177.60 3i8f n GLY 9 N 1.59 0.82 3.66 -0.77 0.00 -0.57 -4.98 105.19 104.93 3i8f n GLY 9 Ca -0.16 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.40 3i8f n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i8f n LYS 10 N -2.12 1.97 -4.38 1.61 5.02 -1.26 -4.58 118.16 114.42 3i8f n LYS 10 Ca 0.00 0.71 -0.19 0.00 -2.02 0.00 0.00 58.31 56.81 3i8f n LYS 10 Cb 0.00 -2.44 -0.10 0.00 -0.02 0.00 0.00 35.03 32.47 3i8f n LYS 10 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3i8f s ARG 11 N 0.63 1.53 0.30 1.97 1.70 -1.26 -1.56 118.95 122.26 3i8f s ARG 11 Ca 0.78 -1.84 -0.30 0.00 -0.47 0.00 0.00 55.73 53.90 3i8f s ARG 11 Cb -0.72 -0.54 -0.12 0.00 -0.57 0.00 0.00 34.95 33.01 3i8f s ARG 11 CO 0.41 -0.25 1.56 -2.30 -1.08 0.00 0.00 175.30 173.64 3i8f n PRO 12 N -0.57 2.62 -4.41 3.89 -0.02 -1.26 -4.71 135.00 130.54 3i8f n PRO 12 Ca -0.01 0.93 -0.24 0.00 -2.02 0.00 0.00 63.50 62.16 3i8f n PRO 12 Cb 0.66 -2.69 -0.09 0.00 -0.02 0.00 0.00 33.50 31.36 3i8f n PRO 12 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3i8f s ILE 13 N -0.18 2.77 -0.20 4.25 -4.36 -1.08 -4.93 121.20 117.46 3i8f s ILE 13 Ca 0.63 -2.18 -0.09 0.00 -0.26 0.00 0.00 60.65 58.75 3i8f s ILE 13 Cb -0.51 -2.44 -0.05 0.00 1.25 0.00 0.00 42.46 40.71 3i8f s ILE 13 CO 0.51 -0.34 0.11 -0.69 0.24 0.00 0.00 174.94 174.77 3i8f s VAL 14 N -2.30 5.11 0.18 8.37 1.01 -1.26 -0.43 120.40 131.08 3i8f s VAL 14 Ca 0.29 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.40 3i8f s VAL 14 Cb -0.06 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 3i8f s VAL 14 CO 0.16 0.42 -0.10 0.00 0.00 0.00 0.00 175.10 175.58 3i8f s ALA 15 N 0.58 1.69 0.06 5.51 0.00 0.48 -4.96 121.76 125.13 3i8f s ALA 15 Ca 0.06 -1.59 -0.09 0.00 0.00 0.00 0.00 51.96 50.34 3i8f s ALA 15 Cb -0.12 0.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 3i8f s ALA 15 CO 0.01 -0.08 0.36 -0.80 0.00 0.00 0.00 175.76 175.25 3i8f s ASN 16 N -3.24 6.60 -0.73 0.00 0.01 -1.26 -1.43 114.94 114.88 3i8f s ASN 16 Ca 0.20 0.72 -0.06 0.00 -0.71 0.00 0.00 52.86 53.01 3i8f s ASN 16 Cb 0.02 -2.15 0.19 0.00 0.41 0.00 0.00 41.25 39.72 3i8f s ASN 16 CO 0.04 0.19 0.59 -0.55 -1.51 0.00 0.00 177.10 175.86 3i8f s SER 17 N -1.76 5.82 0.05 -1.22 0.15 0.11 -4.95 113.70 111.90 3i8f s SER 17 Ca 0.32 -2.92 -0.27 0.00 0.70 0.00 0.00 55.95 53.78 3i8f s SER 17 Cb -0.14 -1.98 -0.05 0.00 -1.71 0.00 0.00 66.02 62.14 3i8f s SER 17 CO 0.18 -0.41 0.83 -0.63 1.20 0.00 0.00 173.24 174.41 3i8f s ILE 18 N -0.17 4.70 -0.66 6.45 1.01 -1.26 -2.40 121.20 128.88 3i8f s ILE 18 Ca 0.19 1.77 -0.07 0.00 0.00 0.00 0.00 60.65 62.53 3i8f s ILE 18 Cb -0.16 -4.18 0.17 0.00 0.01 0.00 0.00 42.46 38.30 3i8f s ILE 18 CO -0.06 0.33 0.52 -1.10 0.00 0.00 0.00 174.94 174.63 3i8f s GLN 19 N 0.10 2.85 0.30 2.79 -1.52 -1.06 -4.99 119.66 118.14 3i8f s GLN 19 Ca 0.42 -2.36 -0.14 0.00 -1.95 0.00 0.00 55.36 51.32 3i8f s GLN 19 Cb -0.21 -3.98 -0.09 0.00 -0.22 0.00 0.00 33.01 28.52 3i8f s GLN 19 CO 0.25 -1.21 0.70 1.03 -0.25 0.00 0.00 175.29 175.81 3i8f s ARG 20 N 0.28 3.99 -0.04 2.91 0.52 -1.26 0.54 118.95 125.88 3i8f s ARG 20 Ca 0.15 0.62 -0.02 0.00 -0.52 0.00 0.00 55.73 55.96 3i8f s ARG 20 Cb -0.18 -2.50 0.02 0.00 0.52 0.00 0.00 34.95 32.81 3i8f s ARG 20 CO -0.05 0.20 0.08 1.03 0.02 0.00 0.00 175.30 176.58 3i8f s ARG 21 N -2.88 0.05 0.00 3.54 0.52 0.69 -4.91 118.95 115.95 3i8f s ARG 21 Ca 0.52 0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.94 3i8f s ARG 21 Cb -0.11 -0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.25 3i8f s ARG 21 CO 0.18 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.81 3i8f n GLY 22 N 3.74 0.92 3.77 -3.53 0.00 -1.26 0.30 105.19 109.12 3i8f n GLY 22 Ca -0.21 -2.21 -0.36 0.00 0.00 0.00 0.00 46.02 43.24 3i8f n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i8f s LYS 23 N -1.00 3.63 1.06 1.61 2.20 -1.26 -4.91 119.74 121.08 3i8f s LYS 23 Ca 0.00 -0.24 -0.12 0.00 -0.36 0.00 0.00 55.97 55.26 3i8f s LYS 23 Cb 0.00 -3.18 0.23 0.00 -1.51 0.00 0.00 37.83 33.37 3i8f s LYS 23 CO 0.00 0.57 1.08 0.00 -0.36 0.00 0.00 175.35 176.64 3i8f s ALA 24 N -0.44 0.33 0.05 3.13 0.00 -1.26 -3.93 121.76 119.64 3i8f s ALA 24 Ca 0.11 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.32 3i8f s ALA 24 Cb -0.12 -3.35 -0.24 0.00 0.00 0.00 0.00 23.12 19.42 3i8f s ALA 24 CO 0.02 -3.41 1.04 -0.22 0.00 0.00 0.00 175.76 173.18 3i8f h LYS 25 N -2.33 0.10 -0.73 0.00 3.64 -1.83 -3.21 116.57 112.21 3i8f h LYS 25 Ca -0.54 -0.16 0.21 0.00 -1.27 0.00 0.00 60.65 58.89 3i8f h LYS 25 Cb 1.30 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.16 3i8f h LYS 25 CO 0.46 0.96 0.53 0.07 -2.27 0.00 0.00 179.45 179.19 3i8f h ARG 26 N 0.03 0.01 0.00 1.90 0.11 -1.95 -3.41 114.38 111.07 3i8f h ARG 26 Ca -0.14 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.94 3i8f h ARG 26 Cb 1.90 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.98 3i8f h ARG 26 CO 0.14 0.01 0.00 0.39 0.10 0.00 0.00 179.97 180.60 3i8f n GLU 27 N -4.32 3.30 0.00 0.08 1.02 -1.22 -5.03 120.64 114.47 3i8f n GLU 27 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 3i8f n GLU 27 Cb 0.80 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.22 3i8f n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i8f n GLY 28 N 5.00 -0.20 0.44 0.62 0.00 -1.26 -4.93 105.19 104.86 3i8f n GLY 28 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3i8f n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8f n GLY 29 N -0.08 0.54 2.22 -0.02 0.00 -1.21 -4.94 105.19 101.70 3i8f n GLY 29 Ca 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 46.02 45.17 3i8f n GLY 29 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i8f n VAL 30 N -0.10 -3.04 -0.60 1.61 0.24 -1.26 -4.42 118.33 110.75 3i8f n VAL 30 Ca 0.01 0.68 -0.03 0.00 -2.04 0.00 0.00 64.34 62.96 3i8f n VAL 30 Cb 0.06 -2.64 0.00 0.00 -1.47 0.00 0.00 33.84 29.79 3i8f n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i8f n GLY 31 N 2.03 -0.93 3.90 7.63 0.00 -1.26 -4.13 105.19 112.43 3i8f n GLY 31 Ca -0.01 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 3i8f n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8f s LYS 32 N -1.56 3.68 0.18 1.61 -0.14 -1.25 -4.20 119.74 118.05 3i8f s LYS 32 Ca 0.03 0.14 0.11 0.00 -1.36 0.00 0.00 55.97 54.88 3i8f s LYS 32 Cb 0.01 -2.58 -0.04 0.00 -1.68 0.00 0.00 37.83 33.53 3i8f s LYS 32 CO 0.05 0.16 -0.23 0.15 -0.76 0.00 0.00 175.35 174.72 3i8f s LYS 33 N -3.58 1.57 -0.15 1.68 -0.14 0.15 -4.94 119.74 114.33 3i8f s LYS 33 Ca 0.46 -1.45 -0.01 0.00 -1.36 0.00 0.00 55.97 53.60 3i8f s LYS 33 Cb -0.11 -1.90 -0.01 0.00 -1.68 0.00 0.00 37.83 34.13 3i8f s LYS 33 CO 0.30 0.42 -0.10 0.99 -0.76 0.00 0.00 175.35 176.19 3i8f s THR 34 N -1.54 3.22 0.30 2.17 2.01 -1.26 -0.22 115.64 120.31 3i8f s THR 34 Ca 0.20 -0.59 0.10 0.00 0.31 0.00 0.00 61.69 61.71 3i8f s THR 34 Cb -0.08 -2.39 -0.06 0.00 0.01 0.00 0.00 72.50 69.98 3i8f s THR 34 CO 0.10 0.50 -0.13 0.42 -0.69 0.00 0.00 174.62 174.81 3i8f s THR 35 N 0.60 2.18 -0.82 -0.82 -4.23 0.19 -4.92 115.64 107.82 3i8f s THR 35 Ca -0.06 -2.27 -0.04 0.00 -1.18 0.00 0.00 61.69 58.14 3i8f s THR 35 Cb -0.15 -2.42 0.04 0.00 1.34 0.00 0.00 72.50 71.31 3i8f s THR 35 CO 0.03 -0.33 0.11 0.61 -0.54 0.00 0.00 174.62 174.49 3i8f n GLY 36 N -0.65 -0.11 3.67 3.99 0.00 -1.26 -2.55 105.19 108.28 3i8f n GLY 36 Ca -0.05 0.07 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 3i8f n GLY 36 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i8f n ILE 37 N -2.57 0.01 -3.89 -0.61 5.41 -1.26 -4.46 119.36 111.98 3i8f n ILE 37 Ca -0.08 -0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.57 3i8f n ILE 37 Cb 0.30 -1.58 -0.09 0.00 -0.71 0.00 0.00 39.64 37.56 3i8f n ILE 37 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3i8f s SER 38 N 0.97 0.13 0.19 4.38 1.04 -1.01 -4.97 113.70 114.43 3i8f s SER 38 Ca 0.79 -0.51 -0.08 0.00 0.48 0.00 0.00 55.95 56.62 3i8f s SER 38 Cb -0.66 0.27 -0.07 0.00 0.10 0.00 0.00 66.02 65.66 3i8f s SER 38 CO 0.37 -0.56 0.48 -0.54 0.98 0.00 0.00 173.24 173.97 3i8f s LYS 39 N -2.84 3.74 0.22 4.02 1.02 -1.26 0.04 119.74 124.67 3i8f s LYS 39 Ca -0.03 0.14 -0.15 0.00 0.02 0.00 0.00 55.97 55.95 3i8f s LYS 39 Cb 0.00 -2.74 0.01 0.00 -0.52 0.00 0.00 37.83 34.58 3i8f s LYS 39 CO -0.06 0.38 0.50 -0.98 -0.92 0.00 0.00 175.35 174.28 3i8f s ARG 40 N -2.71 1.47 0.29 1.68 1.70 -0.52 -4.90 118.95 115.97 3i8f s ARG 40 Ca 0.44 -1.07 0.03 0.00 -0.47 0.00 0.00 55.73 54.66 3i8f s ARG 40 Cb -0.12 0.49 -0.03 0.00 -0.57 0.00 0.00 34.95 34.73 3i8f s ARG 40 CO 0.22 -0.62 0.44 1.03 -1.08 0.00 0.00 175.30 175.30 3i8f s ARG 41 N -3.95 3.44 -0.31 3.89 1.81 -1.26 -0.38 118.95 122.18 3i8f s ARG 41 Ca 0.16 -0.60 -0.01 0.00 -1.72 0.00 0.00 55.73 53.55 3i8f s ARG 41 Cb -0.01 -2.79 0.10 0.00 -0.45 0.00 0.00 34.95 31.80 3i8f s ARG 41 CO 0.03 0.29 0.11 -0.65 -0.68 0.00 0.00 175.30 174.41 3i8f s GLN 42 N -4.13 0.61 0.60 3.54 -0.21 0.43 -4.78 119.66 115.72 3i8f s GLN 42 Ca 0.37 -0.98 -0.12 0.00 0.02 0.00 0.00 55.36 54.65 3i8f s GLN 42 Cb -0.09 -1.80 -0.05 0.00 1.00 0.00 0.00 33.01 32.07 3i8f s GLN 42 CO 0.32 -1.00 1.02 0.71 -2.12 0.00 0.00 175.29 174.22 3i8f s TYR 43 N 1.68 3.57 0.44 0.91 1.51 -1.26 -2.64 117.35 121.56 3i8f s TYR 43 Ca 0.10 1.33 -0.12 0.00 -1.01 0.00 0.00 57.07 57.37 3i8f s TYR 43 Cb -0.17 -2.74 -0.07 0.00 -0.11 0.00 0.00 41.96 38.87 3i8f s TYR 43 CO -0.27 -0.65 0.84 -1.25 -1.11 0.00 0.00 175.55 173.10 3i8f s PRO 44 N -4.96 3.81 -1.43 -1.71 0.04 -1.26 -4.94 135.00 124.55 3i8f s PRO 44 Ca 0.56 0.59 -0.15 0.00 0.04 0.00 0.00 61.00 62.05 3i8f s PRO 44 Cb -0.11 -2.31 0.04 0.00 0.04 0.00 0.00 34.50 32.16 3i8f s PRO 44 CO 0.50 -0.12 2.17 -1.71 0.04 0.00 0.00 177.00 177.88 3i8f n ASN 45 N -1.46 3.96 -4.76 6.66 5.15 -1.26 -4.95 115.26 118.59 3i8f n ASN 45 Ca 0.04 -2.85 -0.41 0.00 -0.60 0.00 0.00 54.58 50.76 3i8f n ASN 45 Cb 0.54 -1.66 -0.03 0.00 -0.53 0.00 0.00 39.78 38.10 3i8f n ASN 45 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3i8f s LEU 46 N 2.41 4.48 0.10 1.20 1.02 -1.26 0.41 118.68 127.05 3i8f s LEU 46 Ca 0.48 2.43 -0.04 0.00 0.02 0.00 0.00 54.13 57.02 3i8f s LEU 46 Cb 0.13 -3.63 -0.03 0.00 0.02 0.00 0.00 46.19 42.68 3i8f s LEU 46 CO -0.07 -0.36 0.11 -1.10 0.02 0.00 0.00 176.35 174.94 3i8f s GLN 47 N -1.22 0.86 0.02 1.70 -1.52 0.20 -4.87 119.66 114.83 3i8f s GLN 47 Ca 0.49 -1.22 -0.17 0.00 -1.95 0.00 0.00 55.36 52.51 3i8f s GLN 47 Cb -0.35 0.28 -0.06 0.00 -0.22 0.00 0.00 33.01 32.66 3i8f s GLN 47 CO 0.44 -0.25 0.49 0.15 -0.25 0.00 0.00 175.29 175.87 3i8f s LYS 48 N -3.95 4.08 -0.26 2.91 1.02 -1.26 -1.44 119.74 120.84 3i8f s LYS 48 Ca 0.13 0.57 0.00 0.00 0.02 0.00 0.00 55.97 56.69 3i8f s LYS 48 Cb 0.06 -3.25 0.07 0.00 -0.52 0.00 0.00 37.83 34.20 3i8f s LYS 48 CO -0.05 0.63 0.01 0.08 -0.92 0.00 0.00 175.35 175.09 3i8f s VAL 49 N -0.96 1.31 -0.36 3.17 1.01 -0.41 -4.94 120.40 119.21 3i8f s VAL 49 Ca 0.26 -1.28 -0.17 0.00 0.00 0.00 0.00 61.98 60.79 3i8f s VAL 49 Cb -0.18 -1.75 -0.00 0.00 0.00 0.00 0.00 36.38 34.46 3i8f s VAL 49 CO 0.16 -0.30 0.44 -0.13 0.00 0.00 0.00 175.10 175.26 3i8f s ARG 50 N 1.46 3.48 -0.07 2.72 0.52 -1.26 -1.22 118.95 124.58 3i8f s ARG 50 Ca 0.00 -0.39 0.03 0.00 -0.52 0.00 0.00 55.73 54.85 3i8f s ARG 50 Cb -0.18 -3.84 -0.02 0.00 0.52 0.00 0.00 34.95 31.42 3i8f s ARG 50 CO -0.11 -0.65 -0.17 0.08 0.02 0.00 0.00 175.30 174.48 3i8f s VAL 51 N 2.20 2.83 -0.28 3.52 1.01 0.86 -4.90 120.40 125.64 3i8f s VAL 51 Ca 0.15 -0.79 -0.23 0.00 0.00 0.00 0.00 61.98 61.11 3i8f s VAL 51 Cb -0.16 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 3i8f s VAL 51 CO 0.13 0.57 0.77 -0.60 0.00 0.00 0.00 175.10 175.97 3i8f s ARG 52 N -0.33 4.04 -0.01 2.72 6.06 -1.26 0.48 118.95 130.65 3i8f s ARG 52 Ca 0.03 0.66 0.02 0.00 -2.50 0.00 0.00 55.73 53.93 3i8f s ARG 52 Cb -0.13 -3.70 -0.01 0.00 0.06 0.00 0.00 34.95 31.18 3i8f s ARG 52 CO 0.02 -0.59 -0.07 0.08 -2.50 0.00 0.00 175.30 172.24 3i8f s VAL 53 N 2.85 0.56 0.00 7.11 1.01 -0.64 -4.96 120.40 126.32 3i8f s VAL 53 Ca 0.32 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.00 3i8f s VAL 53 Cb -0.15 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.76 3i8f s VAL 53 CO 0.11 0.16 0.00 0.00 0.00 0.00 0.00 175.10 175.36 3i8f n ALA 54 N 2.91 0.00 -0.89 5.51 0.00 -1.26 -3.29 120.51 123.49 3i8f n ALA 54 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3i8f n ALA 54 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3i8f n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8f n GLY 55 N 0.00 -0.02 3.81 0.00 0.00 -1.26 -4.97 105.19 102.75 3i8f n GLY 55 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3i8f n GLY 55 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3i8f s GLN 56 N -0.49 -0.14 0.68 1.61 0.00 -1.21 -5.06 119.66 115.04 3i8f s GLN 56 Ca 0.00 -0.32 -0.11 0.00 -0.00 0.00 0.00 55.36 54.92 3i8f s GLN 56 Cb 0.00 -1.75 -0.00 0.00 0.00 0.00 0.00 33.01 31.26 3i8f s GLN 56 CO 0.00 -2.95 1.07 -2.00 0.00 0.00 0.00 175.29 171.40 3i8f s GLU 57 N -5.74 3.11 0.01 9.60 2.12 -1.26 -1.62 118.70 124.92 3i8f s GLU 57 Ca 0.74 0.63 -0.09 0.00 0.36 0.00 0.00 54.97 56.60 3i8f s GLU 57 Cb -0.05 -2.04 0.00 0.00 0.26 0.00 0.00 34.13 32.31 3i8f s GLU 57 CO 0.54 -0.89 0.18 0.42 -0.54 0.00 0.00 175.26 174.97 3i8f s ILE 58 N -3.25 0.09 -0.02 -3.70 1.01 0.18 -4.78 121.20 110.73 3i8f s ILE 58 Ca 0.57 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 60.52 3i8f s ILE 58 Cb -0.11 -0.61 -0.01 0.00 0.01 0.00 0.00 42.46 41.74 3i8f s ILE 58 CO 0.53 -0.40 -0.11 -0.89 0.00 0.00 0.00 174.94 174.07 3i8f s THR 59 N -1.74 0.90 0.13 2.92 2.01 -1.26 -0.10 115.64 118.51 3i8f s THR 59 Ca -0.12 -0.47 0.07 0.00 0.31 0.00 0.00 61.69 61.48 3i8f s THR 59 Cb -0.05 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 3i8f s THR 59 CO 0.00 0.26 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.68 3i8f s PHE 60 N -0.12 1.52 -0.50 4.92 0.40 -0.36 -4.94 117.98 118.89 3i8f s PHE 60 Ca 0.02 -0.54 0.02 0.00 -0.60 0.00 0.00 56.93 55.83 3i8f s PHE 60 Cb -0.06 -0.78 0.13 0.00 0.51 0.00 0.00 43.02 42.82 3i8f s PHE 60 CO -0.00 0.20 0.25 1.03 0.70 0.00 0.00 175.22 177.40 3i8f s ARG 61 N -2.74 2.01 0.20 0.44 0.52 -1.26 -1.28 118.95 116.84 3i8f s ARG 61 Ca 0.11 -2.38 0.10 0.00 -0.52 0.00 0.00 55.73 53.05 3i8f s ARG 61 Cb -0.05 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 31.96 3i8f s ARG 61 CO 0.04 -1.09 -0.21 0.14 0.02 0.00 0.00 175.30 174.20 3i8f s VAL 62 N 0.13 2.18 0.34 3.52 -7.23 -0.52 -2.55 120.40 116.27 3i8f s VAL 62 Ca 0.15 -2.07 -0.28 0.00 -1.81 0.00 0.00 61.98 57.98 3i8f s VAL 62 Cb -0.23 -2.06 -0.09 0.00 0.56 0.00 0.00 36.38 34.55 3i8f s VAL 62 CO -0.03 -0.25 1.18 0.00 -0.31 0.00 0.00 175.10 175.70 3i8f s ALA 63 N -1.98 3.33 0.43 1.32 0.00 -1.26 0.58 121.76 124.18 3i8f s ALA 63 Ca 0.21 1.02 0.20 0.00 0.00 0.00 0.00 51.96 53.38 3i8f s ALA 63 Cb -0.06 -3.39 1.14 0.00 0.00 0.00 0.00 23.12 20.81 3i8f s ALA 63 CO 0.10 -0.43 1.84 0.00 0.00 0.00 0.00 175.76 177.27 3i8f h ALA 64 N 3.23 2.29 -0.47 0.00 0.00 -0.38 0.16 119.26 124.10 3i8f h ALA 64 Ca -0.48 0.02 0.14 0.00 0.00 0.00 0.00 54.91 54.59 3i8f h ALA 64 Cb 1.22 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3i8f h ALA 64 CO 0.65 -0.60 0.73 0.66 0.00 0.00 0.00 179.25 180.69 3i8f h SER 65 N 0.36 0.00 0.00 0.00 4.64 -1.89 -1.22 113.55 115.44 3i8f h SER 65 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 3i8f h SER 65 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3i8f h SER 65 CO -0.18 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.19 3i8f n HIS 66 N -3.25 0.00 -0.32 4.77 -0.00 0.54 -4.75 115.22 112.21 3i8f n HIS 66 Ca 0.09 -0.32 0.31 0.00 -0.00 0.00 0.00 57.72 57.80 3i8f n HIS 66 Cb 0.90 -0.03 0.57 0.00 -0.00 0.00 0.00 29.99 31.43 3i8f n HIS 66 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 3i8f n ILE 67 N -0.32 -0.42 0.01 1.59 5.41 -0.46 0.26 119.36 125.43 3i8f n ILE 67 Ca 0.00 2.04 -0.10 0.00 1.00 0.00 0.00 62.75 65.69 3i8f n ILE 67 Cb 0.27 -3.29 -0.04 0.00 -0.71 0.00 0.00 39.64 35.87 3i8f n ILE 67 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3i8f h PRO 68 N 0.00 -0.34 -0.80 0.38 0.11 -1.85 -0.70 132.00 128.80 3i8f h PRO 68 Ca 0.83 0.02 0.23 0.00 0.11 0.00 0.00 66.00 67.19 3i8f h PRO 68 Cb 2.17 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 33.32 3i8f h PRO 68 CO -0.78 -0.22 0.77 -0.22 -0.21 0.00 0.00 178.00 177.34 3i8f h LYS 69 N -0.35 0.00 -0.41 1.05 1.63 -0.55 0.41 116.57 118.34 3i8f h LYS 69 Ca 0.09 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.81 3i8f h LYS 69 Cb 0.49 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 3i8f h LYS 69 CO -0.31 0.00 -0.07 0.28 -3.45 0.00 0.00 179.45 175.90 3i8f h VAL 70 N 0.00 1.27 0.00 2.00 2.07 -1.09 -1.70 116.25 118.80 3i8f h VAL 70 Ca 0.38 -1.14 -0.16 0.00 0.82 0.00 0.00 66.70 66.60 3i8f h VAL 70 Cb 1.92 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 3i8f h VAL 70 CO -0.00 0.39 -0.77 1.88 0.02 0.00 0.00 177.57 179.09 3i8f h TYR 71 N 0.60 0.00 0.02 1.57 -1.99 -0.32 -3.09 116.97 113.75 3i8f h TYR 71 Ca 0.11 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.87 3i8f h TYR 71 Cb 0.58 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.26 3i8f h TYR 71 CO 0.05 0.77 -0.33 1.49 -0.00 0.00 0.00 178.16 180.13 3i8f h GLU 72 N 0.00 -0.48 0.00 4.88 4.57 -0.66 -1.78 114.58 121.12 3i8f h GLU 72 Ca -0.01 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 3i8f h GLU 72 Cb 1.51 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 30.21 3i8f h GLU 72 CO 0.10 -0.32 -0.13 -0.07 -1.18 0.00 0.00 179.01 177.41 3i8f h LEU 73 N -0.49 0.00 -1.68 1.64 3.38 -1.35 -2.08 115.31 114.73 3i8f h LEU 73 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3i8f h LEU 73 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3i8f h LEU 73 CO -0.26 0.13 0.00 0.58 0.09 0.00 0.00 178.44 178.98 3i8f h VAL 74 N 0.00 0.00 0.00 1.22 2.07 -1.24 -2.10 116.25 116.20 3i8f h VAL 74 Ca -0.00 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 3i8f h VAL 74 Cb 0.28 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3i8f h VAL 74 CO 0.02 0.00 -0.21 -0.08 0.02 0.00 0.00 177.57 177.31 3i8f h GLU 75 N 0.00 0.00 -6.36 1.57 4.57 -1.17 -3.41 114.58 109.77 3i8f h GLU 75 Ca 0.00 0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 57.61 3i8f h GLU 75 Cb 0.42 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.97 3i8f h GLU 75 CO 0.00 0.21 1.11 1.03 -1.18 0.00 0.00 179.01 180.19 3i8f s ARG 76 N -4.15 3.66 -0.19 1.92 1.81 -0.79 -4.99 118.95 116.22 3i8f s ARG 76 Ca -0.02 1.33 -0.02 0.00 -1.72 0.00 0.00 55.73 55.30 3i8f s ARG 76 Cb 0.13 -4.04 -0.00 0.00 -0.45 0.00 0.00 34.95 30.59 3i8f s ARG 76 CO 0.64 -1.46 -0.10 0.00 -0.68 0.00 0.00 175.30 173.71 3i8f s ALA 77 N 5.47 2.67 -0.44 2.13 0.00 -1.26 -5.03 121.76 125.29 3i8f s ALA 77 Ca 0.68 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 51.58 3i8f s ALA 77 Cb -0.20 -1.48 0.30 0.00 0.00 0.00 0.00 23.12 21.75 3i8f s ALA 77 CO 0.30 -0.24 1.10 0.36 0.00 0.00 0.00 175.76 177.27 3i8f n LYS 78 N 4.44 0.81 -2.83 0.00 -0.00 -1.26 -5.07 118.16 114.25 3i8f n LYS 78 Ca -0.19 -1.67 -0.01 0.00 -0.00 0.00 0.00 58.31 56.45 3i8f n LYS 78 Cb 0.51 -1.00 0.00 0.00 -0.00 0.00 0.00 35.03 34.54 3i8f n LYS 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i8f n GLY 79 N 0.78 -1.12 2.65 2.58 0.00 -1.26 -5.06 105.19 103.76 3i8f n GLY 79 Ca 0.05 0.44 -0.25 0.00 0.00 0.00 0.00 46.02 46.26 3i8f n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i8f s LEU 80 N -3.61 0.47 0.00 0.99 2.01 -1.26 -4.92 118.68 112.36 3i8f s LEU 80 Ca 0.02 -0.52 0.00 0.00 0.01 0.00 0.00 54.13 53.64 3i8f s LEU 80 Cb -0.01 -0.30 0.00 0.00 0.01 0.00 0.00 46.19 45.90 3i8f s LEU 80 CO 0.65 -0.32 0.45 2.29 1.01 0.00 0.00 176.35 180.42 3i8f n LYS 81 N 5.24 0.00 0.00 1.70 0.00 -1.26 -4.61 118.16 119.22 3i8f n LYS 81 Ca -0.07 -0.32 0.00 0.00 -0.00 0.00 0.00 58.31 57.92 3i8f n LYS 81 Cb 0.49 -0.22 0.00 0.00 -0.00 0.00 0.00 35.03 35.30 3i8f n LYS 81 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 3i8f n LEU 82 N 0.00 0.00 -3.94 -5.58 -0.00 -1.26 -4.95 117.00 101.26 3i8f n LEU 82 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.92 3i8f n LEU 82 Cb 0.54 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.87 3i8f n LEU 82 CO 0.00 0.00 -0.21 -0.70 -0.00 0.00 0.00 177.39 176.48 3i8f s GLU 83 N 0.00 0.67 0.00 1.47 -6.30 -1.26 -5.06 118.70 108.22 3i8f s GLU 83 Ca 0.00 -0.93 0.00 0.00 -2.50 0.00 0.00 54.97 51.54 3i8f s GLU 83 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 34.13 34.39 3i8f s GLU 83 CO 0.00 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.52 3i8f n GLY 84 N 0.36 0.00 3.40 -1.50 0.00 -1.26 -3.92 105.19 102.26 3i8f n GLY 84 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3i8f n GLY 84 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i8f s LEU 85 N 0.00 2.98 -0.10 0.99 2.34 -1.26 -4.91 118.68 118.72 3i8f s LEU 85 Ca 0.00 -0.27 0.09 0.00 0.06 0.00 0.00 54.13 54.00 3i8f s LEU 85 Cb 0.00 -1.72 -0.12 0.00 -0.56 0.00 0.00 46.19 43.79 3i8f s LEU 85 CO 0.00 0.11 0.03 -1.20 -1.06 0.00 0.00 176.35 174.23 3i8f n SER 86 N 3.93 2.61 -0.02 1.48 7.64 -1.25 -4.79 113.62 123.21 3i8f n SER 86 Ca -0.18 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.70 3i8f n SER 86 Cb 0.52 0.74 -0.01 0.00 -1.01 0.00 0.00 64.21 64.45 3i8f n SER 86 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3i8f n PRO 87 N -2.36 -0.03 0.00 1.43 -0.02 -1.26 0.52 135.00 133.28 3i8f n PRO 87 Ca -0.16 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3i8f n PRO 87 Cb 0.82 -0.33 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 3i8f n PRO 87 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3i8f n LYS 88 N -2.83 0.00 -0.04 -0.52 4.81 -1.26 0.46 118.16 118.78 3i8f n LYS 88 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.24 3i8f n LYS 88 Cb 0.02 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 34.94 3i8f n LYS 88 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3i8f h GLU 89 N 0.00 0.12 0.20 1.64 4.81 -0.31 -3.37 114.58 117.67 3i8f h GLU 89 Ca 0.00 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 3i8f h GLU 89 Cb 0.00 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3i8f h GLU 89 CO 0.00 1.10 -0.10 0.97 -0.73 0.00 0.00 179.01 180.25 3i8f h ILE 90 N -0.68 0.85 -2.74 2.32 -0.00 0.17 -3.33 117.51 114.11 3i8f h ILE 90 Ca -0.24 -0.25 -0.32 0.00 -0.00 0.00 0.00 64.86 64.06 3i8f h ILE 90 Cb 1.44 1.01 0.18 0.00 -0.00 0.00 0.00 36.82 39.45 3i8f h ILE 90 CO -0.03 0.06 -0.09 1.17 -0.00 0.00 0.00 178.15 179.26 3i8f n LYS 91 N -5.15 -4.10 0.00 2.19 3.00 1.65 -4.05 118.16 111.69 3i8f n LYS 91 Ca -0.09 -1.30 0.00 0.00 -0.00 0.00 0.00 58.31 56.92 3i8f n LYS 91 Cb 0.17 -1.56 0.00 0.00 0.00 0.00 0.00 35.03 33.64 3i8f n LYS 91 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3i8f n LYS 92 N -5.05 0.00 0.00 1.64 5.02 -1.26 -3.66 118.16 114.85 3i8f n LYS 92 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3i8f n LYS 92 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 3i8f n LYS 92 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i8f n GLU 93 N 4.97 0.00 0.08 1.97 -0.58 -1.26 0.24 120.64 126.05 3i8f n GLU 93 Ca 0.00 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.79 3i8f n GLU 93 Cb 0.00 0.00 0.28 0.00 -0.57 0.00 0.00 31.44 31.15 3i8f n GLU 93 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3i8f n LEU 94 N 0.00 0.26 -4.38 -4.62 4.77 -1.24 -4.28 117.00 107.50 3i8f n LEU 94 Ca 0.00 0.62 -0.37 0.00 -0.03 0.00 0.00 56.01 56.22 3i8f n LEU 94 Cb 0.00 -0.65 -0.12 0.00 -2.33 0.00 0.00 43.42 40.32 3i8f n LEU 94 CO 0.00 -0.71 -0.26 -0.22 -1.33 0.00 0.00 177.39 174.87 3i8f s LEU 95 N -3.70 3.84 0.00 2.23 0.20 0.65 -4.96 118.68 116.94 3i8f s LEU 95 Ca -0.01 -0.58 0.00 0.00 0.69 0.00 0.00 54.13 54.23 3i8f s LEU 95 Cb 0.03 -1.92 0.00 0.00 -0.43 0.00 0.00 46.19 43.87 3i8f s LEU 95 CO 0.09 -0.17 0.00 2.29 -0.29 0.00 0.00 176.35 178.27 3i8f n LYS 96 N 4.90 0.00 -0.41 1.98 2.85 -1.26 -4.70 118.16 121.52 3i8f n LYS 96 Ca -0.15 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 56.94 3i8f n LYS 96 Cb 0.49 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.83 3i8f n LYS 96 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 3i8f n LEU 97 N 0.00 0.19 0.00 -5.58 -0.00 -1.26 -4.98 117.00 105.37 3i8f n LEU 97 Ca 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 56.01 56.18 3i8f n LEU 97 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 43.42 43.14 3i8f n LEU 97 CO 0.00 -0.24 0.07 0.18 -0.00 0.00 0.00 177.39 177.41