#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kni n VAL 4 N 0.00 0.00 -1.12 3.15 3.14 -1.26 -4.42 118.33 117.81 3kni n VAL 4 Ca 0.00 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.00 3kni n VAL 4 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 3kni n VAL 4 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3kni n GLU 6 N 0.94 0.10 -0.07 0.00 1.02 0.45 -2.51 120.64 120.57 3kni n GLU 6 Ca 0.13 0.01 -0.07 0.00 -0.02 0.00 0.00 57.16 57.21 3kni n GLU 6 Cb 0.26 -1.55 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 3kni n GLU 6 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3kni n ILE 7 N -1.68 1.23 0.17 -3.67 -0.00 -1.26 -4.59 119.36 109.55 3kni n ILE 7 Ca 0.04 0.21 0.05 0.00 -0.00 0.00 0.00 62.75 63.05 3kni n ILE 7 Cb 0.37 -2.20 0.13 0.00 -0.00 0.00 0.00 39.64 37.94 3kni n ILE 7 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 3kni h SER 8 N -0.82 0.00 -0.02 4.38 4.64 -1.92 -3.47 113.55 116.34 3kni h SER 8 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3kni h SER 8 Cb 0.78 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.87 3kni h SER 8 CO 0.00 0.39 -0.01 0.61 -0.87 0.00 0.00 176.83 176.96 3kni n GLY 9 N 0.97 0.47 3.65 -0.77 0.00 -1.04 -5.01 105.19 103.46 3kni n GLY 9 Ca 0.02 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 3kni n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kni n LYS 10 N -2.86 -0.28 -3.77 1.61 5.02 -1.26 -4.69 118.16 111.93 3kni n LYS 10 Ca -0.00 -0.01 -0.07 0.00 -2.02 0.00 0.00 58.31 56.20 3kni n LYS 10 Cb 0.03 -2.33 -0.02 0.00 -0.02 0.00 0.00 35.03 32.69 3kni n LYS 10 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3kni s ARG 11 N -4.38 1.61 0.25 1.97 1.70 -1.26 -1.23 118.95 117.60 3kni s ARG 11 Ca 0.68 -0.85 -0.31 0.00 -0.47 0.00 0.00 55.73 54.78 3kni s ARG 11 Cb -0.24 0.57 -0.11 0.00 -0.57 0.00 0.00 34.95 34.60 3kni s ARG 11 CO 0.57 -0.73 1.58 -1.25 -1.08 0.00 0.00 175.30 174.39 3kni s PRO 12 N -3.79 4.17 0.31 3.89 0.04 -1.26 -4.62 135.00 133.75 3kni s PRO 12 Ca 0.10 2.49 0.07 0.00 0.04 0.00 0.00 61.00 63.70 3kni s PRO 12 Cb -0.04 -3.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.40 3kni s PRO 12 CO 0.03 -0.61 0.29 0.96 0.04 0.00 0.00 177.00 177.72 3kni s ILE 13 N 0.39 3.85 0.08 0.56 -4.36 -0.46 -4.95 121.20 116.31 3kni s ILE 13 Ca 0.66 -1.32 0.04 0.00 -0.26 0.00 0.00 60.65 59.76 3kni s ILE 13 Cb -0.46 -3.28 -0.04 0.00 1.25 0.00 0.00 42.46 39.93 3kni s ILE 13 CO 0.41 -0.22 0.04 -0.69 0.24 0.00 0.00 174.94 174.72 3kni s VAL 14 N -2.24 4.27 0.12 8.37 1.01 -1.26 -0.90 120.40 129.78 3kni s VAL 14 Ca 0.39 -0.86 -0.24 0.00 0.00 0.00 0.00 61.98 61.27 3kni s VAL 14 Cb -0.07 -3.04 0.07 0.00 0.00 0.00 0.00 36.38 33.34 3kni s VAL 14 CO 0.27 0.14 0.62 0.00 0.00 0.00 0.00 175.10 176.12 3kni s ALA 15 N -1.33 -1.63 0.12 5.51 0.00 0.31 -4.86 121.76 119.88 3kni s ALA 15 Ca 0.27 0.63 0.02 0.00 0.00 0.00 0.00 51.96 52.88 3kni s ALA 15 Cb -0.12 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 3kni s ALA 15 CO 0.19 -0.70 0.24 -0.80 0.00 0.00 0.00 175.76 174.69 3kni s ASN 16 N -2.50 6.23 -0.21 0.00 0.01 -1.26 0.36 114.94 117.57 3kni s ASN 16 Ca -0.01 0.16 -0.02 0.00 -0.71 0.00 0.00 52.86 52.28 3kni s ASN 16 Cb -0.01 -1.86 0.00 0.00 0.41 0.00 0.00 41.25 39.79 3kni s ASN 16 CO -0.09 0.09 -0.10 -0.94 -1.51 0.00 0.00 177.10 174.56 3kni s SER 17 N -2.96 3.91 -0.07 -1.22 1.04 0.11 -4.93 113.70 109.56 3kni s SER 17 Ca 0.34 -0.48 -0.22 0.00 0.48 0.00 0.00 55.95 56.07 3kni s SER 17 Cb -0.12 -1.65 -0.04 0.00 0.10 0.00 0.00 66.02 64.31 3kni s SER 17 CO 0.28 -0.01 0.63 -0.63 0.98 0.00 0.00 173.24 174.48 3kni s ILE 18 N 1.42 5.07 -0.52 -1.02 1.09 -1.26 -3.77 121.20 122.20 3kni s ILE 18 Ca 0.06 1.29 -0.04 0.00 -1.10 0.00 0.00 60.65 60.86 3kni s ILE 18 Cb -0.14 -3.97 0.14 0.00 -1.06 0.00 0.00 42.46 37.43 3kni s ILE 18 CO -0.07 0.29 0.34 -1.10 -0.10 0.00 0.00 174.94 174.31 3kni s GLN 19 N 0.65 2.36 0.56 2.79 -1.52 0.55 -4.96 119.66 120.10 3kni s GLN 19 Ca 0.34 -2.12 0.02 0.00 -1.95 0.00 0.00 55.36 51.65 3kni s GLN 19 Cb -0.17 -3.73 0.05 0.00 -0.22 0.00 0.00 33.01 28.94 3kni s GLN 19 CO 0.16 -1.14 0.78 1.03 -0.25 0.00 0.00 175.29 175.87 3kni s ARG 20 N 0.66 2.43 0.13 2.91 0.52 -1.26 0.35 118.95 124.69 3kni s ARG 20 Ca 0.12 -0.95 -0.20 0.00 -0.52 0.00 0.00 55.73 54.18 3kni s ARG 20 Cb -0.22 -2.51 0.05 0.00 0.52 0.00 0.00 34.95 32.80 3kni s ARG 20 CO -0.04 -0.78 0.50 1.03 0.02 0.00 0.00 175.30 176.03 3kni s ARG 21 N -4.76 1.15 0.00 3.54 0.52 0.13 -4.62 118.95 114.91 3kni s ARG 21 Ca 0.59 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 55.26 3kni s ARG 21 Cb -0.09 0.52 0.00 0.00 0.52 0.00 0.00 34.95 35.90 3kni s ARG 21 CO 0.39 -0.47 0.00 0.41 0.02 0.00 0.00 175.30 175.65 3kni n GLY 22 N -0.19 0.81 3.40 -3.53 0.00 -1.26 -0.66 105.19 103.76 3kni n GLY 22 Ca -0.17 -2.11 -0.36 0.00 0.00 0.00 0.00 46.02 43.38 3kni n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kni s LYS 23 N -1.31 3.51 0.47 1.61 2.20 -1.22 -4.92 119.74 120.08 3kni s LYS 23 Ca 0.00 -0.56 -0.20 0.00 -0.36 0.00 0.00 55.97 54.84 3kni s LYS 23 Cb 0.00 -3.25 -0.12 0.00 -1.51 0.00 0.00 37.83 32.95 3kni s LYS 23 CO 0.00 -0.22 0.35 0.00 -0.36 0.00 0.00 175.35 175.12 3kni n ALA 24 N 4.88 -1.91 1.70 3.13 0.00 -1.26 -3.86 120.51 123.20 3kni n ALA 24 Ca -0.16 0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.44 3kni n ALA 24 Cb 0.51 -1.68 0.47 0.00 0.00 0.00 0.00 19.45 18.75 3kni n ALA 24 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3kni n LYS 25 N 0.70 1.28 0.04 0.00 2.85 -1.26 -2.10 118.16 119.67 3kni n LYS 25 Ca 0.11 -0.42 0.13 0.00 -1.05 0.00 0.00 58.31 57.08 3kni n LYS 25 Cb 0.43 -1.32 0.40 0.00 -0.65 0.00 0.00 35.03 33.89 3kni n LYS 25 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 3kni n ARG 26 N -0.36 0.13 0.00 -1.58 0.63 -1.26 -4.47 116.66 109.74 3kni n ARG 26 Ca 0.14 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 3kni n ARG 26 Cb 0.16 -1.62 0.00 0.00 0.45 0.00 0.00 32.46 31.45 3kni n ARG 26 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3kni n GLU 27 N -1.82 0.35 -0.31 -0.14 1.02 -0.98 -4.98 120.64 113.78 3kni n GLU 27 Ca 0.06 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.21 3kni n GLU 27 Cb 0.38 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 31.89 3kni n GLU 27 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3kni h GLY 28 N 0.00 0.44 0.00 0.62 0.00 -1.86 -3.48 103.07 98.79 3kni h GLY 28 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3kni h GLY 28 CO 0.00 -0.29 0.00 0.61 0.00 0.00 0.00 176.54 176.86 3kni n GLY 29 N -1.53 0.13 3.22 4.60 0.00 -0.89 -4.95 105.19 105.77 3kni n GLY 29 Ca 0.11 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.06 3kni n GLY 29 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kni n VAL 30 N 0.00 0.00 -0.39 1.61 0.24 -1.26 -4.36 118.33 114.16 3kni n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3kni n VAL 30 Cb 0.00 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 3kni n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kni n GLY 31 N -2.00 -3.03 2.92 7.63 0.00 -1.25 -5.00 105.19 104.45 3kni n GLY 31 Ca 0.00 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 43.93 3kni n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kni s LYS 32 N -0.59 0.09 0.41 1.61 2.20 -1.26 -3.45 119.74 118.75 3kni s LYS 32 Ca 0.00 0.42 0.08 0.00 -0.36 0.00 0.00 55.97 56.11 3kni s LYS 32 Cb 0.00 -0.19 -0.00 0.00 -1.51 0.00 0.00 37.83 36.13 3kni s LYS 32 CO 0.00 -0.19 0.49 0.15 -0.36 0.00 0.00 175.35 175.43 3kni s LYS 33 N 1.41 2.74 -0.26 4.03 -0.14 0.16 -4.90 119.74 122.79 3kni s LYS 33 Ca -0.07 -1.33 0.02 0.00 -1.36 0.00 0.00 55.97 53.23 3kni s LYS 33 Cb -0.12 -2.62 0.06 0.00 -1.68 0.00 0.00 37.83 33.48 3kni s LYS 33 CO -0.06 -0.21 -0.07 0.99 -0.76 0.00 0.00 175.35 175.24 3kni s THR 34 N -2.38 1.85 0.09 2.17 2.01 -1.26 0.21 115.64 118.33 3kni s THR 34 Ca 0.52 -1.49 -0.11 0.00 0.31 0.00 0.00 61.69 60.92 3kni s THR 34 Cb -0.07 -2.07 -0.23 0.00 0.01 0.00 0.00 72.50 70.14 3kni s THR 34 CO 0.31 -0.12 1.21 0.00 -0.69 0.00 0.00 174.62 175.33 3kni h THR 35 N 6.70 1.32 -2.58 -0.82 1.03 0.59 -3.47 112.91 115.69 3kni h THR 35 Ca -0.17 -2.37 -0.10 0.00 -0.01 0.00 0.00 66.41 63.76 3kni h THR 35 Cb 1.05 2.45 -0.23 0.00 -1.07 0.00 0.00 68.15 70.36 3kni h THR 35 CO 0.44 0.72 -0.15 -0.83 -0.01 0.00 0.00 175.52 175.70 3kni s GLY 36 N -4.37 -0.36 0.00 2.99 0.00 -0.90 -4.97 107.32 99.71 3kni s GLY 36 Ca -0.08 1.31 0.00 0.00 0.00 0.00 0.00 44.72 45.95 3kni s GLY 36 CO 0.91 1.12 0.00 1.39 0.00 0.00 0.00 173.10 176.52 3kni n ILE 37 N 2.71 0.00 0.00 0.90 5.41 -1.26 0.21 119.36 127.33 3kni n ILE 37 Ca -0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.61 3kni n ILE 37 Cb 0.57 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.50 3kni n ILE 37 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3kni n SER 38 N 0.00 0.00 -4.83 4.38 3.41 -1.25 -4.68 113.62 110.65 3kni n SER 38 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 3kni n SER 38 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 3kni n SER 38 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3kni s LYS 39 N -5.08 3.70 0.15 4.33 1.02 -1.26 -0.71 119.74 121.89 3kni s LYS 39 Ca 0.00 1.01 -0.24 0.00 0.02 0.00 0.00 55.97 56.76 3kni s LYS 39 Cb 0.00 -2.10 0.08 0.00 -0.52 0.00 0.00 37.83 35.29 3kni s LYS 39 CO 0.00 -0.48 1.06 -0.98 -0.92 0.00 0.00 175.35 174.03 3kni s ARG 40 N -4.21 1.16 0.05 1.68 1.04 0.16 -4.87 118.95 113.95 3kni s ARG 40 Ca 0.60 -0.72 0.05 0.00 -1.04 0.00 0.00 55.73 54.61 3kni s ARG 40 Cb -0.12 0.34 -0.02 0.00 -2.04 0.00 0.00 34.95 33.10 3kni s ARG 40 CO 0.36 -0.54 -0.13 -0.98 -0.04 0.00 0.00 175.30 173.97 3kni s ARG 41 N -2.36 0.86 -0.18 3.89 1.70 -1.26 0.11 118.95 121.71 3kni s ARG 41 Ca 0.20 -0.80 -0.11 0.00 -0.47 0.00 0.00 55.73 54.56 3kni s ARG 41 Cb -0.02 -0.85 -0.05 0.00 -0.57 0.00 0.00 34.95 33.47 3kni s ARG 41 CO 0.04 0.20 0.18 -0.65 -1.08 0.00 0.00 175.30 173.99 3kni s GLN 42 N -1.32 4.12 0.29 3.89 -0.21 -0.07 -4.94 119.66 121.42 3kni s GLN 42 Ca -0.00 -0.11 0.05 0.00 0.02 0.00 0.00 55.36 55.32 3kni s GLN 42 Cb -0.08 -3.39 -0.02 0.00 1.00 0.00 0.00 33.01 30.51 3kni s GLN 42 CO 0.01 0.34 0.42 0.71 -2.12 0.00 0.00 175.29 174.66 3kni s TYR 43 N 0.21 3.29 -0.18 0.91 1.51 -1.26 -1.36 117.35 120.47 3kni s TYR 43 Ca 0.11 -0.10 -0.17 0.00 -1.01 0.00 0.00 57.07 55.91 3kni s TYR 43 Cb -0.12 -1.79 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 3kni s TYR 43 CO 0.01 0.21 0.43 -2.14 -1.11 0.00 0.00 175.55 172.95 3kni s PRO 44 N -4.09 4.22 0.00 -1.71 0.02 -1.26 -4.94 135.00 127.25 3kni s PRO 44 Ca 0.39 0.29 -0.00 0.00 0.02 0.00 0.00 61.00 61.70 3kni s PRO 44 Cb -0.09 -3.51 -0.02 0.00 0.02 0.00 0.00 34.50 30.90 3kni s PRO 44 CO 0.30 0.01 0.58 -1.71 -0.33 0.00 0.00 177.00 175.86 3kni n ASN 45 N 4.27 0.83 -4.50 2.53 4.05 -1.26 -4.83 115.26 116.35 3kni n ASN 45 Ca -0.08 -1.39 -0.31 0.00 0.45 0.00 0.00 54.58 53.25 3kni n ASN 45 Cb 0.51 -0.19 0.16 0.00 1.23 0.00 0.00 39.78 41.49 3kni n ASN 45 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3kni n LEU 46 N 2.32 0.69 -3.97 1.20 -0.00 -1.26 -2.70 117.00 113.28 3kni n LEU 46 Ca 0.03 0.24 -0.12 0.00 -0.00 0.00 0.00 56.01 56.16 3kni n LEU 46 Cb 0.10 -1.29 -0.01 0.00 -0.00 0.00 0.00 43.42 42.22 3kni n LEU 46 CO 0.09 -2.97 0.31 -1.10 -0.00 0.00 0.00 177.39 173.72 3kni s GLN 47 N -4.10 2.04 0.08 1.47 -1.52 0.74 -4.79 119.66 113.59 3kni s GLN 47 Ca 0.62 -1.61 -0.07 0.00 -1.95 0.00 0.00 55.36 52.36 3kni s GLN 47 Cb -0.21 0.52 -0.05 0.00 -0.22 0.00 0.00 33.01 33.05 3kni s GLN 47 CO 0.63 -0.90 0.35 0.15 -0.25 0.00 0.00 175.29 175.27 3kni s LYS 48 N -2.77 3.64 -0.35 2.91 3.01 -1.25 -2.50 119.74 122.44 3kni s LYS 48 Ca 0.24 -0.02 0.02 0.00 -1.01 0.00 0.00 55.97 55.20 3kni s LYS 48 Cb -0.02 -2.96 0.15 0.00 -1.01 0.00 0.00 37.83 33.99 3kni s LYS 48 CO 0.16 0.55 0.37 0.08 0.51 0.00 0.00 175.35 177.02 3kni s VAL 49 N -1.48 -0.39 0.30 3.17 1.01 -1.16 -4.92 120.40 116.94 3kni s VAL 49 Ca 0.35 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 61.26 3kni s VAL 49 Cb -0.13 -0.76 -0.10 0.00 0.00 0.00 0.00 36.38 35.40 3kni s VAL 49 CO 0.20 -0.52 0.95 -0.13 0.00 0.00 0.00 175.10 175.61 3kni s ARG 50 N 1.74 4.64 -0.28 2.72 0.52 -1.26 -2.49 118.95 124.54 3kni s ARG 50 Ca 0.15 1.39 0.01 0.00 -0.52 0.00 0.00 55.73 56.76 3kni s ARG 50 Cb -0.14 -2.92 0.15 0.00 0.52 0.00 0.00 34.95 32.56 3kni s ARG 50 CO -0.12 0.32 0.39 0.54 0.02 0.00 0.00 175.30 176.45 3kni s VAL 51 N -1.49 -0.61 0.00 3.52 0.11 -1.00 -5.00 120.40 115.92 3kni s VAL 51 Ca 0.48 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 3kni s VAL 51 Cb -0.21 -0.94 0.00 0.00 -1.53 0.00 0.00 36.38 33.69 3kni s VAL 51 CO 0.27 -0.25 0.00 -2.11 -3.33 0.00 0.00 175.10 169.67 3kni n ARG 52 N 5.35 0.00 -1.46 1.54 1.85 -1.25 -4.49 116.66 118.21 3kni n ARG 52 Ca -0.01 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.87 3kni n ARG 52 Cb 0.49 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.89 3kni n ARG 52 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3kni n VAL 53 N 0.00 -2.48 0.00 8.89 0.31 -1.26 -3.00 118.33 120.79 3kni n VAL 53 Ca 0.00 1.30 0.00 0.00 -0.01 0.00 0.00 64.34 65.63 3kni n VAL 53 Cb 0.00 -2.15 0.00 0.00 -0.91 0.00 0.00 33.84 30.78 3kni n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kni n ALA 54 N -2.78 0.00 0.00 3.52 0.00 -1.26 -1.55 120.51 118.44 3kni n ALA 54 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3kni n ALA 54 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3kni n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kni n GLY 55 N 0.00 0.91 0.00 0.00 0.00 -1.26 -5.09 105.19 99.75 3kni n GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kni n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kni n GLN 56 N -0.36 3.14 0.00 1.61 1.13 -0.59 -5.08 117.38 117.23 3kni n GLN 56 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3kni n GLN 56 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 3kni n GLN 56 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3kni n GLU 57 N 0.00 0.00 -1.94 -1.09 2.13 -1.16 -4.01 120.64 114.57 3kni n GLU 57 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3kni n GLU 57 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3kni n GLU 57 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 3kni n ILE 58 N -2.41 -9.09 -3.37 6.31 3.06 -1.26 -2.97 119.36 109.63 3kni n ILE 58 Ca 0.00 2.54 -0.07 0.00 -2.50 0.00 0.00 62.75 62.72 3kni n ILE 58 Cb 0.00 -3.97 0.01 0.00 0.54 0.00 0.00 39.64 36.22 3kni n ILE 58 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 3kni n THR 59 N 1.55 0.00 -3.75 9.51 -2.24 -1.26 -2.37 114.28 115.71 3kni n THR 59 Ca 0.00 -0.59 -0.12 0.00 -2.27 0.00 0.00 64.05 61.06 3kni n THR 59 Cb 0.00 -0.57 -0.12 0.00 -2.10 0.00 0.00 70.33 67.55 3kni n THR 59 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3kni s PHE 60 N -0.47 -0.36 -1.13 4.78 0.08 -1.04 -4.91 117.98 114.94 3kni s PHE 60 Ca 0.12 0.84 -0.10 0.00 0.12 0.00 0.00 56.93 57.92 3kni s PHE 60 Cb -0.01 0.11 0.26 0.00 -0.57 0.00 0.00 43.02 42.81 3kni s PHE 60 CO 0.08 -0.19 1.17 1.03 -0.10 0.00 0.00 175.22 177.20 3kni s ARG 61 N 0.53 4.19 0.15 0.44 0.52 -1.26 -2.96 118.95 120.57 3kni s ARG 61 Ca -0.03 -3.11 0.09 0.00 -0.52 0.00 0.00 55.73 52.16 3kni s ARG 61 Cb -0.05 -4.65 -0.04 0.00 0.52 0.00 0.00 34.95 30.74 3kni s ARG 61 CO -0.03 -1.33 -0.19 0.54 0.02 0.00 0.00 175.30 174.30 3kni s VAL 62 N -0.76 1.86 0.22 3.52 0.11 -1.04 0.17 120.40 124.47 3kni s VAL 62 Ca 0.33 -1.85 -0.19 0.00 -2.93 0.00 0.00 61.98 57.34 3kni s VAL 62 Cb -0.09 -1.82 -0.08 0.00 -1.53 0.00 0.00 36.38 32.87 3kni s VAL 62 CO -0.07 -0.24 0.70 0.00 -3.33 0.00 0.00 175.10 172.17 3kni s ALA 63 N -1.82 3.43 0.64 1.54 0.00 -1.26 0.26 121.76 124.55 3kni s ALA 63 Ca 0.14 0.12 0.18 0.00 0.00 0.00 0.00 51.96 52.40 3kni s ALA 63 Cb -0.07 -2.78 0.98 0.00 0.00 0.00 0.00 23.12 21.26 3kni s ALA 63 CO 0.06 0.34 1.55 0.00 0.00 0.00 0.00 175.76 177.71 3kni h ALA 64 N 3.35 1.57 -0.10 0.00 0.00 -1.82 0.24 119.26 122.50 3kni h ALA 64 Ca -0.48 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 3kni h ALA 64 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3kni h ALA 64 CO 0.65 -0.57 -0.13 0.66 0.00 0.00 0.00 179.25 179.86 3kni h SER 65 N 0.00 0.29 -0.60 0.00 4.64 -1.91 -3.23 113.55 112.74 3kni h SER 65 Ca 0.00 -0.51 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3kni h SER 65 Cb 1.16 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3kni h SER 65 CO 0.00 0.74 0.00 1.41 -0.87 0.00 0.00 176.83 178.11 3kni n HIS 66 N -4.61 1.83 -0.06 4.77 -0.00 0.75 -4.43 115.22 113.47 3kni n HIS 66 Ca -0.07 -0.69 -0.08 0.00 -0.00 0.00 0.00 57.72 56.88 3kni n HIS 66 Cb 0.35 -0.40 -0.02 0.00 -0.00 0.00 0.00 29.99 29.92 3kni n HIS 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3kni h ILE 67 N 4.00 0.96 -0.89 1.59 2.04 -1.34 -2.33 117.51 121.54 3kni h ILE 67 Ca 0.00 -0.08 0.15 0.00 1.00 0.00 0.00 64.86 65.94 3kni h ILE 67 Cb 1.77 0.72 -0.10 0.00 -0.74 0.00 0.00 36.82 38.47 3kni h ILE 67 CO 0.38 0.04 0.48 1.55 0.00 0.00 0.00 178.15 180.60 3kni h PRO 68 N 0.22 0.65 -0.72 2.37 0.13 -1.81 0.42 132.00 133.26 3kni h PRO 68 Ca 0.11 -0.04 0.19 0.00 -0.87 0.00 0.00 66.00 65.39 3kni h PRO 68 Cb 0.06 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 31.01 3kni h PRO 68 CO -0.10 0.43 0.51 -0.22 -0.23 0.00 0.00 178.00 178.39 3kni h LYS 69 N 0.66 0.09 0.35 0.86 1.63 -1.73 -0.97 116.57 117.47 3kni h LYS 69 Ca 0.49 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.27 3kni h LYS 69 Cb 0.70 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 3kni h LYS 69 CO -0.36 0.06 -0.17 0.28 -3.45 0.00 0.00 179.45 175.81 3kni h VAL 70 N 0.10 0.00 0.00 2.00 2.07 -0.88 -2.23 116.25 117.30 3kni h VAL 70 Ca 0.35 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.74 3kni h VAL 70 Cb 1.24 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3kni h VAL 70 CO -0.04 0.00 0.01 -1.22 0.02 0.00 0.00 177.57 176.34 3kni n TYR 71 N -3.62 0.00 0.59 1.57 4.02 -0.84 0.07 117.16 118.95 3kni n TYR 71 Ca -0.06 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.94 3kni n TYR 71 Cb 0.19 -0.07 -0.14 0.00 -0.02 0.00 0.00 39.34 39.29 3kni n TYR 71 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 3kni n GLU 72 N -1.02 0.29 -0.08 -0.72 0.00 -0.43 -4.28 120.64 114.39 3kni n GLU 72 Ca 0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 57.16 56.93 3kni n GLU 72 Cb 0.01 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 29.85 3kni n GLU 72 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3kni h LEU 73 N 0.00 0.00 -0.81 4.31 3.38 0.19 -3.28 115.31 119.10 3kni h LEU 73 Ca 0.00 -0.59 0.23 0.00 0.09 0.00 0.00 57.88 57.61 3kni h LEU 73 Cb 0.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3kni h LEU 73 CO 0.00 1.12 1.11 0.52 0.09 0.00 0.00 178.44 181.29 3kni n VAL 74 N -4.56 0.00 0.00 1.22 0.31 -1.16 -1.12 118.33 113.03 3kni n VAL 74 Ca -0.18 1.14 0.00 0.00 -0.01 0.00 0.00 64.34 65.29 3kni n VAL 74 Cb 0.49 -2.07 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 3kni n VAL 74 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3kni n GLU 75 N -2.99 0.00 0.00 5.55 4.07 -1.24 -4.07 120.64 121.96 3kni n GLU 75 Ca 0.18 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.28 3kni n GLU 75 Cb 1.36 -0.57 0.00 0.00 -0.06 0.00 0.00 31.44 32.17 3kni n GLU 75 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3kni n ARG 76 N -0.46 0.00 0.00 5.31 3.00 -0.27 0.06 116.66 124.30 3kni n ARG 76 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3kni n ARG 76 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 32.46 31.46 3kni n ARG 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kni n ALA 77 N -0.16 2.12 0.13 7.54 0.00 -1.15 -4.63 120.51 124.36 3kni n ALA 77 Ca 0.00 -0.46 0.14 0.00 0.00 0.00 0.00 53.44 53.11 3kni n ALA 77 Cb 0.00 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.11 3kni n ALA 77 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kni h LYS 78 N 0.00 0.01 -2.12 0.00 1.79 -0.52 -1.33 116.57 114.41 3kni h LYS 78 Ca 0.00 -0.00 -0.70 0.00 -2.18 0.00 0.00 60.65 57.77 3kni h LYS 78 Cb 0.11 -0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 30.53 3kni h LYS 78 CO 0.00 0.01 1.04 0.41 -1.08 0.00 0.00 179.45 179.83 3kni n GLY 79 N -1.59 5.30 3.14 3.86 0.00 -1.26 -4.92 105.19 109.72 3kni n GLY 79 Ca 0.03 -2.30 -0.08 0.00 0.00 0.00 0.00 46.02 43.68 3kni n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kni s LEU 80 N -3.41 2.05 -0.94 0.99 1.43 -0.50 -5.09 118.68 113.20 3kni s LEU 80 Ca 0.52 -0.94 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3kni s LEU 80 Cb 0.35 0.46 0.30 0.00 0.03 0.00 0.00 46.19 47.34 3kni s LEU 80 CO -0.28 -0.66 1.38 2.29 0.23 0.00 0.00 176.35 179.31 3kni n LYS 81 N 0.02 4.24 -3.21 1.70 -0.00 -1.26 -5.01 118.16 114.64 3kni n LYS 81 Ca -0.13 -4.63 -0.40 0.00 -0.00 0.00 0.00 58.31 53.15 3kni n LYS 81 Cb 0.62 -2.43 -0.07 0.00 -0.00 0.00 0.00 35.03 33.15 3kni n LYS 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3kni s LEU 82 N -3.15 4.12 0.00 -5.58 1.43 -1.26 -4.99 118.68 109.24 3kni s LEU 82 Ca 0.36 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 54.13 3kni s LEU 82 Cb 0.12 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.60 3kni s LEU 82 CO 0.01 -0.24 0.00 1.21 0.23 0.00 0.00 176.35 177.56 3kni n GLU 83 N 5.09 0.00 -1.41 1.70 4.07 -1.26 -4.89 120.64 123.94 3kni n GLU 83 Ca -0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 3kni n GLU 83 Cb 0.50 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.88 3kni n GLU 83 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kni n GLY 84 N 0.00 -4.47 3.56 8.31 0.00 -1.26 -4.13 105.19 107.21 3kni n GLY 84 Ca 0.00 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 3kni n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kni n LEU 85 N -0.83 1.26 -3.12 0.99 4.77 -1.26 -4.55 117.00 114.27 3kni n LEU 85 Ca 0.00 -2.29 -0.19 0.00 -0.03 0.00 0.00 56.01 53.50 3kni n LEU 85 Cb 0.00 -1.49 -0.03 0.00 -2.33 0.00 0.00 43.42 39.57 3kni n LEU 85 CO 0.00 -3.35 -0.18 -1.54 -1.33 0.00 0.00 177.39 170.99 3kni n SER 86 N 17.84 -0.01 -0.22 -1.43 3.41 -1.26 -4.93 113.62 127.04 3kni n SER 86 Ca 0.42 -2.95 -0.02 0.00 -0.26 0.00 0.00 58.87 56.06 3kni n SER 86 Cb 0.46 -0.23 0.09 0.00 -0.26 0.00 0.00 64.21 64.27 3kni n SER 86 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3kni h PRO 87 N 3.51 0.63 -1.07 4.33 0.13 -1.90 0.70 132.00 138.32 3kni h PRO 87 Ca 0.05 -0.04 0.31 0.00 -0.87 0.00 0.00 66.00 65.45 3kni h PRO 87 Cb 0.95 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 31.88 3kni h PRO 87 CO 0.44 0.42 0.76 -0.22 -0.23 0.00 0.00 178.00 179.17 3kni h LYS 88 N 0.65 0.05 0.00 0.86 3.11 -1.96 0.28 116.57 119.56 3kni h LYS 88 Ca 0.28 -0.00 -0.32 0.00 -2.81 0.00 0.00 60.65 57.80 3kni h LYS 88 Cb 0.16 -0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.32 3kni h LYS 88 CO -0.17 0.03 -1.97 0.39 -2.81 0.00 0.00 179.45 174.92 3kni n GLU 89 N -4.26 0.65 0.18 1.90 1.02 0.10 -3.62 120.64 116.61 3kni n GLU 89 Ca 0.23 0.17 -0.16 0.00 -0.02 0.00 0.00 57.16 57.38 3kni n GLU 89 Cb 1.11 -1.69 -0.09 0.00 -0.02 0.00 0.00 31.44 30.75 3kni n GLU 89 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3kni h ILE 90 N 0.00 0.08 -0.66 -3.67 1.08 0.39 -2.25 117.51 112.48 3kni h ILE 90 Ca -0.39 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.17 3kni h ILE 90 Cb 2.09 0.08 -0.07 0.00 -3.07 0.00 0.00 36.82 35.86 3kni h ILE 90 CO 0.06 0.00 0.32 0.50 -0.69 0.00 0.00 178.15 178.34 3kni h LYS 91 N -0.80 0.55 0.00 2.37 3.64 -1.51 -1.13 116.57 119.68 3kni h LYS 91 Ca -0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3kni h LYS 91 Cb 0.76 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3kni h LYS 91 CO -0.18 0.36 0.00 1.17 -2.27 0.00 0.00 179.45 178.53 3kni n LYS 92 N -4.88 0.00 0.16 1.90 3.00 -0.95 -1.56 118.16 115.82 3kni n LYS 92 Ca 0.10 0.63 0.11 0.00 -0.00 0.00 0.00 58.31 59.14 3kni n LYS 92 Cb 0.25 -1.38 0.58 0.00 0.00 0.00 0.00 35.03 34.47 3kni n LYS 92 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3kni n GLU 93 N -2.09 0.14 -0.58 1.64 -0.58 -0.89 -2.80 120.64 115.49 3kni n GLU 93 Ca 0.00 0.64 -0.06 0.00 -0.42 0.00 0.00 57.16 57.31 3kni n GLU 93 Cb 0.00 -1.95 -0.09 0.00 -0.57 0.00 0.00 31.44 28.83 3kni n GLU 93 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3kni n LEU 94 N -2.24 3.28 0.00 -4.62 0.00 -0.43 -4.61 117.00 108.37 3kni n LEU 94 Ca -0.01 -2.08 0.00 0.00 0.00 0.00 0.00 56.01 53.92 3kni n LEU 94 Cb 0.03 -0.86 0.00 0.00 0.00 0.00 0.00 43.42 42.59 3kni n LEU 94 CO 0.09 0.84 0.00 -0.11 0.00 0.00 0.00 177.39 178.21 3kni n LEU 95 N 2.54 0.00 0.00 -1.96 -0.00 -1.14 -4.98 117.00 111.46 3kni n LEU 95 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.24 3kni n LEU 95 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 3kni n LEU 95 CO 0.14 0.00 0.00 2.29 -0.00 0.00 0.00 177.39 179.82