#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8f n VAL 3 N 0.00 -0.23 -2.33 1.55 0.24 -1.26 -4.84 118.33 111.46 3i8f n VAL 3 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 3i8f n VAL 3 Cb 0.00 -0.21 -0.03 0.00 -1.47 0.00 0.00 33.84 32.13 3i8f n VAL 3 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3i8f s LYS 4 N -1.35 4.38 -0.02 7.34 -0.14 -1.26 -5.00 119.74 123.69 3i8f s LYS 4 Ca 0.01 1.88 -0.03 0.00 -1.36 0.00 0.00 55.97 56.47 3i8f s LYS 4 Cb -0.00 -3.35 0.00 0.00 -1.68 0.00 0.00 37.83 32.80 3i8f s LYS 4 CO 0.06 -0.36 0.07 -1.64 -0.76 0.00 0.00 175.35 172.72 3i8f s MET 5 N 1.29 0.20 -0.42 1.68 -1.94 -1.26 -5.06 119.30 113.79 3i8f s MET 5 Ca 0.61 -0.10 -0.04 0.00 -1.71 0.00 0.00 55.69 54.45 3i8f s MET 5 Cb -0.32 0.08 0.05 0.00 2.01 0.00 0.00 34.83 36.66 3i8f s MET 5 CO 0.29 -0.03 2.79 -2.39 -0.01 0.00 0.00 175.02 175.66 3i8f n HIS 6 N 2.53 1.49 -3.65 -0.03 1.44 -1.26 -4.86 115.22 110.89 3i8f n HIS 6 Ca -0.16 -1.91 0.00 0.00 -2.01 0.00 0.00 57.72 53.64 3i8f n HIS 6 Cb 0.58 -1.37 -0.06 0.00 0.12 0.00 0.00 29.99 29.25 3i8f n HIS 6 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 3i8f s VAL 7 N -2.05 0.00 0.54 0.61 -7.23 -1.26 -4.55 120.40 106.45 3i8f s VAL 7 Ca 0.58 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.77 3i8f s VAL 7 Cb 0.37 -1.00 0.02 0.00 0.56 0.00 0.00 36.38 36.33 3i8f s VAL 7 CO -0.20 0.00 0.16 -0.54 -0.31 0.00 0.00 175.10 174.21 3i8f s LYS 8 N 0.96 2.23 0.00 4.82 1.02 -1.26 -5.06 119.74 122.46 3i8f s LYS 8 Ca -0.06 -2.31 0.00 0.00 0.02 0.00 0.00 55.97 53.62 3i8f s LYS 8 Cb -0.03 -1.72 0.00 0.00 -0.52 0.00 0.00 37.83 35.56 3i8f s LYS 8 CO -0.11 -0.52 0.70 1.63 -0.92 0.00 0.00 175.35 176.13 3i8f n LYS 9 N -1.50 0.00 0.18 1.68 5.02 -1.26 -2.92 118.16 119.36 3i8f n LYS 9 Ca -0.14 0.41 0.10 0.00 -2.02 0.00 0.00 58.31 56.65 3i8f n LYS 9 Cb 0.66 -1.20 0.51 0.00 -0.02 0.00 0.00 35.03 34.98 3i8f n LYS 9 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3i8f h GLY 10 N 0.00 0.00 -4.23 0.72 0.00 -1.99 -2.89 103.07 94.67 3i8f h GLY 10 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 3i8f h GLY 10 CO 0.00 0.00 0.77 1.22 0.00 0.00 0.00 176.54 178.53 3i8f n ASP 11 N -2.23 3.58 -4.81 0.19 9.92 -1.15 -4.74 116.55 117.32 3i8f n ASP 11 Ca -0.01 1.18 -0.36 0.00 -0.53 0.00 0.00 54.79 55.06 3i8f n ASP 11 Cb 0.21 -1.57 -0.07 0.00 -0.64 0.00 0.00 41.12 39.06 3i8f n ASP 11 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3i8f s THR 12 N -0.47 5.46 0.14 -3.53 -4.23 -1.26 -2.50 115.64 109.25 3i8f s THR 12 Ca 0.60 0.21 -0.15 0.00 -1.18 0.00 0.00 61.69 61.18 3i8f s THR 12 Cb -0.52 -3.44 0.02 0.00 1.34 0.00 0.00 72.50 69.91 3i8f s THR 12 CO 0.55 0.54 0.38 0.54 -0.54 0.00 0.00 174.62 176.09 3i8f s VAL 13 N -0.41 0.07 0.51 2.29 0.11 0.61 -2.70 120.40 120.87 3i8f s VAL 13 Ca 0.12 -0.79 0.05 0.00 -2.93 0.00 0.00 61.98 58.43 3i8f s VAL 13 Cb -0.12 -1.36 0.05 0.00 -1.53 0.00 0.00 36.38 33.43 3i8f s VAL 13 CO 0.01 -0.32 0.45 0.00 -3.33 0.00 0.00 175.10 171.92 3i8f n LEU 14 N -0.23 0.00 -4.50 2.54 -0.00 -1.21 -0.00 117.00 113.60 3i8f n LEU 14 Ca -0.14 -2.55 -0.33 0.00 -0.00 0.00 0.00 56.01 52.99 3i8f n LEU 14 Cb 0.63 -0.11 -0.12 0.00 -0.00 0.00 0.00 43.42 43.81 3i8f n LEU 14 CO 0.19 -0.59 -0.41 -0.69 -0.00 0.00 0.00 177.39 175.88 3i8f s VAL 15 N -2.46 3.38 -0.01 1.47 1.01 -1.11 -3.99 120.40 118.68 3i8f s VAL 15 Ca 0.34 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 3i8f s VAL 15 Cb -0.03 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 3i8f s VAL 15 CO 0.22 0.58 -0.10 0.00 0.00 0.00 0.00 175.10 175.80 3i8f n ALA 16 N 2.57 1.95 0.00 5.51 0.00 -0.41 -4.40 120.51 125.73 3i8f n ALA 16 Ca -0.18 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3i8f n ALA 16 Cb 0.53 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.08 3i8f n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i8f n SER 17 N -3.41 0.00 0.00 0.00 3.41 -1.25 -4.88 113.62 107.49 3i8f n SER 17 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 3i8f n SER 17 Cb 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3i8f n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i8f n GLY 18 N 0.00 4.67 7.00 5.00 0.00 -1.26 -5.02 105.19 115.58 3i8f n GLY 18 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3i8f n GLY 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i8f n LYS 19 N 0.00 0.00 -1.88 1.61 5.02 -1.26 -3.57 118.16 118.09 3i8f n LYS 19 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3i8f n LYS 19 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 3i8f n LYS 19 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3i8f s TYR 20 N 0.00 2.06 -1.03 2.13 2.02 -1.26 -4.60 117.35 116.66 3i8f s TYR 20 Ca 0.00 0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.80 3i8f s TYR 20 Cb 0.00 -4.03 0.00 0.00 -0.40 0.00 0.00 41.96 37.53 3i8f s TYR 20 CO 0.00 -4.30 0.00 1.17 -1.57 0.00 0.00 175.55 170.85 3i8f n LYS 21 N 6.37 0.00 -1.42 -0.62 3.00 -1.23 -4.78 118.16 119.48 3i8f n LYS 21 Ca 0.17 0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.65 3i8f n LYS 21 Cb 0.41 -0.97 -0.09 0.00 0.00 0.00 0.00 35.03 34.38 3i8f n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i8f n GLY 22 N -0.20 -3.09 0.00 3.14 0.00 -1.26 -4.38 105.19 99.40 3i8f n GLY 22 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3i8f n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8f n ARG 23 N -4.30 2.87 -2.90 1.61 1.74 -1.26 -4.61 116.66 109.81 3i8f n ARG 23 Ca -0.08 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.77 3i8f n ARG 23 Cb 0.66 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.12 3i8f n ARG 23 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3i8f s VAL 24 N 0.44 3.58 0.00 1.55 1.01 -1.26 -2.77 120.40 122.95 3i8f s VAL 24 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3i8f s VAL 24 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.06 3i8f s VAL 24 CO 0.00 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.49 3i8f n GLY 25 N -2.14 0.71 3.88 4.51 0.00 1.00 -4.90 105.19 108.26 3i8f n GLY 25 Ca 0.03 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 3i8f n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i8f s LYS 26 N -2.00 3.66 -0.61 1.61 2.20 -1.26 -0.29 119.74 123.05 3i8f s LYS 26 Ca 0.00 0.50 -0.05 0.00 -0.36 0.00 0.00 55.97 56.06 3i8f s LYS 26 Cb 0.00 -2.27 0.16 0.00 -1.51 0.00 0.00 37.83 34.21 3i8f s LYS 26 CO 0.00 -0.27 0.44 0.14 -0.36 0.00 0.00 175.35 175.30 3i8f s VAL 27 N -2.76 3.95 0.22 4.02 -7.23 -1.04 -4.16 120.40 113.41 3i8f s VAL 27 Ca 0.52 -2.67 -0.30 0.00 -1.81 0.00 0.00 61.98 57.71 3i8f s VAL 27 Cb -0.10 -3.57 -0.09 0.00 0.56 0.00 0.00 36.38 33.18 3i8f s VAL 27 CO 0.43 -0.86 0.94 -0.75 -0.31 0.00 0.00 175.10 174.54 3i8f s LYS 28 N 0.25 4.84 0.36 4.82 2.47 -0.99 -4.28 119.74 127.21 3i8f s LYS 28 Ca 0.15 1.48 0.00 0.00 -1.56 0.00 0.00 55.97 56.04 3i8f s LYS 28 Cb -0.20 -3.29 0.00 0.00 -1.46 0.00 0.00 37.83 32.88 3i8f s LYS 28 CO -0.04 0.48 0.00 0.39 0.16 0.00 0.00 175.35 176.34 3i8f n GLU 29 N 1.65 -3.82 -0.07 4.03 4.71 -1.26 -3.97 120.64 121.90 3i8f n GLU 29 Ca -0.01 2.80 -0.15 0.00 -0.01 0.00 0.00 57.16 59.78 3i8f n GLU 29 Cb 0.47 -3.25 -0.05 0.00 -1.01 0.00 0.00 31.44 27.60 3i8f n GLU 29 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3i8f n VAL 30 N -0.19 1.12 -2.86 2.62 0.31 -1.26 -3.17 118.33 114.90 3i8f n VAL 30 Ca 0.00 -0.10 -0.01 0.00 -0.01 0.00 0.00 64.34 64.23 3i8f n VAL 30 Cb 0.00 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.08 3i8f n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3i8f n LEU 31 N -3.90 -6.32 0.02 7.52 4.77 -1.25 -3.16 117.00 114.68 3i8f n LEU 31 Ca -0.27 -0.02 -0.18 0.00 -0.03 0.00 0.00 56.01 55.51 3i8f n LEU 31 Cb 0.62 -3.05 -0.12 0.00 -2.33 0.00 0.00 43.42 38.55 3i8f n LEU 31 CO 0.06 -1.09 0.18 1.55 -1.33 0.00 0.00 177.39 176.76 3i8f h PRO 32 N 0.52 0.44 0.00 3.23 0.13 -1.96 -2.28 132.00 132.08 3i8f h PRO 32 Ca 0.00 -0.51 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3i8f h PRO 32 Cb 0.99 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3i8f h PRO 32 CO 0.26 1.17 0.07 0.36 -0.23 0.00 0.00 178.00 179.62 3i8f n LYS 33 N -4.13 0.03 -0.00 0.86 0.00 -1.26 0.14 118.16 113.79 3i8f n LYS 33 Ca -0.11 0.48 0.00 0.00 -0.00 0.00 0.00 58.31 58.68 3i8f n LYS 33 Cb 0.74 -1.66 0.00 0.00 -0.00 0.00 0.00 35.03 34.11 3i8f n LYS 33 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3i8f n LYS 34 N -1.60 1.61 -4.12 -1.58 4.76 -1.23 -5.03 118.16 110.97 3i8f n LYS 34 Ca -0.00 -1.17 -0.37 0.00 -2.87 0.00 0.00 58.31 53.90 3i8f n LYS 34 Cb 0.08 -1.01 -0.03 0.00 -1.84 0.00 0.00 35.03 32.23 3i8f n LYS 34 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 3i8f n TYR 35 N -0.30 -1.42 -3.69 2.13 4.19 0.37 -4.95 117.16 113.50 3i8f n TYR 35 Ca 0.00 0.38 -0.14 0.00 3.31 0.00 0.00 57.90 61.46 3i8f n TYR 35 Cb 0.17 -2.97 -0.09 0.00 0.49 0.00 0.00 39.34 36.95 3i8f n TYR 35 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3i8f s ALA 36 N -3.90 -1.34 0.24 2.98 0.00 -0.87 -2.28 121.76 116.58 3i8f s ALA 36 Ca 0.25 1.51 0.06 0.00 0.00 0.00 0.00 51.96 53.78 3i8f s ALA 36 Cb -0.13 -0.86 -0.05 0.00 0.00 0.00 0.00 23.12 22.08 3i8f s ALA 36 CO 0.96 -0.26 -0.08 0.14 0.00 0.00 0.00 175.76 176.53 3i8f s VAL 37 N 0.23 1.51 0.14 0.00 -7.23 0.19 -3.96 120.40 111.30 3i8f s VAL 37 Ca -0.00 -2.13 0.09 0.00 -1.81 0.00 0.00 61.98 58.13 3i8f s VAL 37 Cb -0.04 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 3i8f s VAL 37 CO 0.01 -0.43 -0.21 0.27 -0.31 0.00 0.00 175.10 174.43 3i8f s ILE 38 N -3.11 1.93 0.00 -0.62 -4.36 -1.19 0.21 121.20 114.06 3i8f s ILE 38 Ca 0.26 -1.78 0.00 0.00 -0.26 0.00 0.00 60.65 58.87 3i8f s ILE 38 Cb 0.03 -1.81 0.00 0.00 1.25 0.00 0.00 42.46 41.93 3i8f s ILE 38 CO 0.09 -0.13 0.00 1.33 0.24 0.00 0.00 174.94 176.47 3i8f n VAL 39 N 0.67 0.00 0.00 8.37 0.24 -1.26 -2.34 118.33 124.01 3i8f n VAL 39 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 3i8f n VAL 39 Cb 0.55 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 3i8f n VAL 39 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i8f n GLU 40 N 0.00 1.24 0.00 7.34 4.71 -1.26 -4.67 120.64 128.00 3i8f n GLU 40 Ca 0.00 -1.07 0.00 0.00 -0.01 0.00 0.00 57.16 56.08 3i8f n GLU 40 Cb 0.00 -1.00 0.00 0.00 -1.01 0.00 0.00 31.44 29.43 3i8f n GLU 40 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3i8f n GLY 41 N -0.26 -0.48 3.38 0.62 0.00 -1.26 -4.89 105.19 102.29 3i8f n GLY 41 Ca 0.00 -0.17 -0.46 0.00 0.00 0.00 0.00 46.02 45.40 3i8f n GLY 41 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3i8f n VAL 42 N 0.00 1.60 -1.49 1.61 3.14 -1.26 -4.76 118.33 117.17 3i8f n VAL 42 Ca 0.00 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 3i8f n VAL 42 Cb 0.00 -0.08 0.00 0.00 -1.06 0.00 0.00 33.84 32.70 3i8f n VAL 42 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 3i8f n ASN 43 N 2.01 0.00 -3.16 6.55 2.04 -1.26 0.02 115.26 121.46 3i8f n ASN 43 Ca 0.15 -0.66 -0.29 0.00 -0.44 0.00 0.00 54.58 53.34 3i8f n ASN 43 Cb 0.30 0.00 0.01 0.00 -2.53 0.00 0.00 39.78 37.56 3i8f n ASN 43 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3i8f n ILE 44 N 0.00 0.00 -2.15 1.53 3.06 -1.26 -3.69 119.36 116.85 3i8f n ILE 44 Ca 0.00 -0.37 -0.43 0.00 -2.50 0.00 0.00 62.75 59.45 3i8f n ILE 44 Cb 0.33 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.48 3i8f n ILE 44 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 3i8f s VAL 45 N -1.49 3.71 -0.88 9.51 -7.23 -1.25 -4.53 120.40 118.24 3i8f s VAL 45 Ca 0.42 0.77 -0.25 0.00 -1.81 0.00 0.00 61.98 61.12 3i8f s VAL 45 Cb -0.37 -3.82 0.04 0.00 0.56 0.00 0.00 36.38 32.79 3i8f s VAL 45 CO 0.49 -0.42 1.36 -0.54 -0.31 0.00 0.00 175.10 175.68 3i8f s LYS 46 N 4.92 3.39 -0.83 4.82 1.02 -0.44 -4.87 119.74 127.75 3i8f s LYS 46 Ca 0.70 -0.69 -0.25 0.00 0.02 0.00 0.00 55.97 55.76 3i8f s LYS 46 Cb -0.22 -4.77 -0.19 0.00 -0.52 0.00 0.00 37.83 32.13 3i8f s LYS 46 CO 0.30 -2.18 1.90 1.63 -0.92 0.00 0.00 175.35 176.09 3i8f n LYS 47 N 9.13 0.96 -0.35 1.68 5.02 -1.26 -3.75 118.16 129.59 3i8f n LYS 47 Ca 0.18 -1.87 -0.02 0.00 -2.02 0.00 0.00 58.31 54.58 3i8f n LYS 47 Cb 0.50 -3.32 0.01 0.00 -0.02 0.00 0.00 35.03 32.20 3i8f n LYS 47 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i8f n ALA 48 N 12.68 3.51 0.00 7.82 0.00 -0.23 -4.87 120.51 139.42 3i8f n ALA 48 Ca 0.46 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3i8f n ALA 48 Cb 0.44 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3i8f n ALA 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i8f n VAL 49 N 0.87 0.00 0.00 0.00 0.31 -1.23 -4.71 118.33 113.58 3i8f n VAL 49 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 3i8f n VAL 49 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 3i8f n VAL 49 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i8f n ARG 50 N 0.00 0.00 -0.85 5.55 3.00 -1.26 -3.09 116.66 120.02 3i8f n ARG 50 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.85 57.85 3i8f n ARG 50 Cb 0.00 0.00 0.31 0.00 0.00 0.00 0.00 32.46 32.77 3i8f n ARG 50 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 3i8f n VAL 51 N 0.00 2.52 -2.25 1.55 3.14 -1.26 -2.99 118.33 119.04 3i8f n VAL 51 Ca 0.00 -1.31 -0.00 0.00 -2.96 0.00 0.00 64.34 60.06 3i8f n VAL 51 Cb 0.00 -0.36 -0.01 0.00 -1.06 0.00 0.00 33.84 32.41 3i8f n VAL 51 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3i8f n SER 52 N 0.24 0.16 -3.19 6.55 3.41 -1.26 -3.47 113.62 116.06 3i8f n SER 52 Ca 0.30 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 3i8f n SER 52 Cb 1.17 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 65.06 3i8f n SER 52 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3i8f n PRO 53 N 0.25 1.23 -1.71 4.33 -0.02 -1.26 -4.89 135.00 132.93 3i8f n PRO 53 Ca -0.07 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.99 3i8f n PRO 53 Cb 0.91 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.36 3i8f n PRO 53 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i8f n LYS 54 N 0.00 2.64 -1.08 -0.52 4.76 -1.26 -4.40 118.16 118.29 3i8f n LYS 54 Ca 0.00 0.95 0.00 0.00 -2.87 0.00 0.00 58.31 56.39 3i8f n LYS 54 Cb 0.00 -2.77 0.00 0.00 -1.84 0.00 0.00 35.03 30.42 3i8f n LYS 54 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3i8f n TYR 55 N 3.58 -2.96 -1.21 2.13 0.53 -1.26 -4.89 117.16 113.09 3i8f n TYR 55 Ca 0.15 1.57 -0.36 0.00 -1.02 0.00 0.00 57.90 58.23 3i8f n TYR 55 Cb 0.34 -2.72 0.06 0.00 -1.03 0.00 0.00 39.34 35.98 3i8f n TYR 55 CO 0.00 0.00 0.00 -0.35 -1.02 0.00 0.00 176.86 175.49 3i8f n PRO 56 N -0.72 0.19 -0.94 -0.72 -0.04 -1.26 -4.78 135.00 126.73 3i8f n PRO 56 Ca 0.00 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 3i8f n PRO 56 Cb 0.00 -1.60 -0.03 0.00 -0.04 0.00 0.00 33.50 31.83 3i8f n PRO 56 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3i8f n GLN 57 N -0.03 -1.78 0.00 0.54 3.00 -1.23 -4.89 117.38 112.99 3i8f n GLN 57 Ca 0.08 1.24 0.00 0.00 -0.01 0.00 0.00 57.00 58.31 3i8f n GLN 57 Cb 0.50 -2.23 0.00 0.00 0.00 0.00 0.00 30.24 28.51 3i8f n GLN 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i8f n GLY 58 N -2.97 -0.05 0.00 1.08 0.00 -1.16 -4.28 105.19 97.81 3i8f n GLY 58 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3i8f n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8f n GLY 59 N 0.00 -0.25 3.03 -0.02 0.00 -1.18 -4.50 105.19 102.27 3i8f n GLY 59 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3i8f n GLY 59 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i8f s PHE 60 N 0.00 3.56 0.00 1.61 -0.00 -1.25 -1.07 117.98 120.83 3i8f s PHE 60 Ca 0.00 -3.04 0.00 0.00 -0.00 0.00 0.00 56.93 53.89 3i8f s PHE 60 Cb 0.00 -3.03 0.00 0.00 -0.00 0.00 0.00 43.02 39.99 3i8f s PHE 60 CO 0.00 -0.72 0.00 -0.89 -0.00 0.00 0.00 175.22 173.61 3i8f n ILE 61 N 2.68 0.00 0.00 -4.49 -0.00 -1.25 -4.49 119.36 111.81 3i8f n ILE 61 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.90 3i8f n ILE 61 Cb 0.36 -1.15 0.00 0.00 -0.00 0.00 0.00 39.64 38.85 3i8f n ILE 61 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 3i8f n GLU 62 N -1.12 0.00 -2.00 0.38 -0.00 -1.26 -1.33 120.64 115.31 3i8f n GLU 62 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 3i8f n GLU 62 Cb 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 31.44 31.07 3i8f n GLU 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3i8f n LYS 63 N -2.23 -4.50 -1.92 3.44 3.00 -1.24 -4.15 118.16 110.56 3i8f n LYS 63 Ca 0.00 3.17 -0.42 0.00 -0.00 0.00 0.00 58.31 61.06 3i8f n LYS 63 Cb 0.00 -3.56 -0.03 0.00 0.00 0.00 0.00 35.03 31.44 3i8f n LYS 63 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 3i8f s GLU 64 N -0.42 3.19 0.86 1.64 2.02 -1.26 -4.01 118.70 120.73 3i8f s GLU 64 Ca 0.00 1.45 -0.12 0.00 0.02 0.00 0.00 54.97 56.32 3i8f s GLU 64 Cb 0.00 -4.26 0.11 0.00 0.10 0.00 0.00 34.13 30.08 3i8f s GLU 64 CO 0.00 -2.03 1.13 0.00 0.02 0.00 0.00 175.26 174.38 3i8f s ALA 65 N 7.51 2.05 0.64 5.21 0.00 0.10 -4.86 121.76 132.41 3i8f s ALA 65 Ca 0.83 -0.46 -0.12 0.00 0.00 0.00 0.00 51.96 52.20 3i8f s ALA 65 Cb -0.23 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 3i8f s ALA 65 CO 0.32 -2.03 1.04 -2.14 0.00 0.00 0.00 175.76 172.96 3i8f s PRO 66 N -5.29 3.28 0.00 0.00 0.02 -1.26 -4.51 135.00 127.24 3i8f s PRO 66 Ca 0.63 0.93 0.01 0.00 0.02 0.00 0.00 61.00 62.59 3i8f s PRO 66 Cb -0.14 -2.04 -0.01 0.00 0.02 0.00 0.00 34.50 32.34 3i8f s PRO 66 CO 0.53 -0.82 -0.04 -0.51 -0.33 0.00 0.00 177.00 175.83 3i8f s LEU 67 N -5.15 2.04 0.13 -5.54 1.02 0.13 -4.93 118.68 106.38 3i8f s LEU 67 Ca 0.58 -0.12 -0.31 0.00 0.02 0.00 0.00 54.13 54.29 3i8f s LEU 67 Cb -0.13 -0.16 -0.11 0.00 0.02 0.00 0.00 46.19 45.81 3i8f s LEU 67 CO 0.50 0.00 1.83 1.57 0.02 0.00 0.00 176.35 180.27 3i8f n HIS 68 N 2.79 2.64 0.20 0.29 -0.00 -1.26 0.58 115.22 120.46 3i8f n HIS 68 Ca -0.14 -0.14 0.08 0.00 0.46 0.00 0.00 57.72 57.98 3i8f n HIS 68 Cb 0.58 -2.73 0.42 0.00 -0.12 0.00 0.00 29.99 28.15 3i8f n HIS 68 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3i8f h ALA 69 N 8.44 1.25 -0.30 1.57 0.00 -1.77 -0.14 119.26 128.31 3i8f h ALA 69 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3i8f h ALA 69 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3i8f h ALA 69 CO 0.95 -0.25 0.00 -1.13 0.00 0.00 0.00 179.25 178.82 3i8f n SER 70 N -2.21 1.67 -0.10 0.00 3.41 -1.26 -3.26 113.62 111.88 3i8f n SER 70 Ca -0.01 -1.96 0.10 0.00 -0.26 0.00 0.00 58.87 56.74 3i8f n SER 70 Cb 0.36 -0.20 -0.09 0.00 -0.26 0.00 0.00 64.21 64.02 3i8f n SER 70 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i8f n LYS 71 N 0.40 0.55 0.00 4.33 4.76 -0.07 -4.76 118.16 123.38 3i8f n LYS 71 Ca 0.11 -0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 3i8f n LYS 71 Cb 0.27 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 3i8f n LYS 71 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 3i8f n VAL 72 N -1.18 0.00 -0.02 -0.18 0.24 -1.20 -1.29 118.33 114.70 3i8f n VAL 72 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 3i8f n VAL 72 Cb 0.34 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 3i8f n VAL 72 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3i8f n ARG 73 N 0.00 0.00 -0.65 7.34 1.74 -1.26 -3.84 116.66 119.99 3i8f n ARG 73 Ca 0.00 0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 3i8f n ARG 73 Cb 0.00 -0.01 0.18 0.00 -1.02 0.00 0.00 32.46 31.61 3i8f n ARG 73 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3i8f n PRO 74 N -0.00 -1.26 -3.50 5.56 -0.04 -1.26 -3.36 135.00 131.14 3i8f n PRO 74 Ca 0.00 -0.33 -0.11 0.00 -0.04 0.00 0.00 63.50 63.02 3i8f n PRO 74 Cb 0.00 -1.99 -0.02 0.00 -0.04 0.00 0.00 33.50 31.44 3i8f n PRO 74 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3i8f s ILE 75 N -2.40 0.01 -0.08 0.52 -1.16 -1.10 -2.98 121.20 114.01 3i8f s ILE 75 Ca 0.62 -0.19 -0.30 0.00 -0.51 0.00 0.00 60.65 60.27 3i8f s ILE 75 Cb -0.20 -1.11 0.09 0.00 0.61 0.00 0.00 42.46 41.85 3i8f s ILE 75 CO 0.65 -0.06 0.81 0.00 -2.81 0.00 0.00 174.94 173.53 3i8f n PRO 77 N 0.69 -0.74 0.00 0.00 -0.02 -1.26 -4.24 135.00 129.43 3i8f n PRO 77 Ca -0.15 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 3i8f n PRO 77 Cb 0.58 0.11 0.00 0.00 -0.02 0.00 0.00 33.50 34.17 3i8f n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i8f n ALA 78 N -0.73 0.00 -2.74 3.55 0.00 -1.26 -5.10 120.51 114.24 3i8f n ALA 78 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3i8f n ALA 78 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 3i8f n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8f n GLY 80 N 1.55 -3.00 3.51 0.00 0.00 -1.24 -5.01 105.19 101.01 3i8f n GLY 80 Ca 0.08 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 3i8f n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8f s LYS 81 N -2.63 0.68 0.46 1.61 1.02 -1.16 -5.00 119.74 114.73 3i8f s LYS 81 Ca 0.00 0.90 -0.22 0.00 0.02 0.00 0.00 55.97 56.67 3i8f s LYS 81 Cb 0.00 0.27 -0.10 0.00 -0.52 0.00 0.00 37.83 37.48 3i8f s LYS 81 CO 0.00 -0.10 0.81 -2.30 -0.92 0.00 0.00 175.35 172.83 3i8f n PRO 82 N 3.17 0.95 -2.58 -1.68 -0.02 -1.26 -4.69 135.00 128.89 3i8f n PRO 82 Ca -0.16 0.35 -0.43 0.00 -2.02 0.00 0.00 63.50 61.24 3i8f n PRO 82 Cb 0.56 -1.86 -0.02 0.00 -0.02 0.00 0.00 33.50 32.16 3i8f n PRO 82 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i8f s THR 83 N -1.42 4.50 -0.82 3.45 2.01 -1.26 -3.00 115.64 119.11 3i8f s THR 83 Ca 0.66 1.79 0.25 0.00 0.31 0.00 0.00 61.69 64.70 3i8f s THR 83 Cb -0.54 -4.25 0.24 0.00 0.01 0.00 0.00 72.50 67.96 3i8f s THR 83 CO 0.55 -0.26 1.78 -1.14 -0.69 0.00 0.00 174.62 174.86 3i8f n ARG 84 N 6.60 0.13 -2.56 4.92 3.00 0.58 -4.95 116.66 124.37 3i8f n ARG 84 Ca 0.13 0.18 0.00 0.00 -0.00 0.00 0.00 57.85 58.16 3i8f n ARG 84 Cb 0.46 -1.68 0.00 0.00 0.00 0.00 0.00 32.46 31.24 3i8f n ARG 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3i8f n VAL 85 N -1.91 -0.79 -4.25 5.15 0.31 -1.12 -4.89 118.33 110.83 3i8f n VAL 85 Ca 0.05 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.18 3i8f n VAL 85 Cb 0.34 -2.07 -0.12 0.00 -0.91 0.00 0.00 33.84 31.08 3i8f n VAL 85 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3i8f s ARG 86 N 0.00 1.05 -0.07 5.55 3.00 -0.52 -4.93 118.95 123.03 3i8f s ARG 86 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 55.73 54.53 3i8f s ARG 86 Cb 0.00 -1.05 0.02 0.00 0.00 0.00 0.00 34.95 33.92 3i8f s ARG 86 CO 0.00 0.22 -0.04 -1.59 0.00 0.00 0.00 175.30 173.89 3i8f s LYS 87 N -2.39 0.95 -0.45 3.54 -2.85 -1.26 0.19 119.74 117.46 3i8f s LYS 87 Ca 0.08 -0.09 -0.10 0.00 -1.00 0.00 0.00 55.97 54.86 3i8f s LYS 87 Cb -0.07 -1.05 0.10 0.00 -2.06 0.00 0.00 37.83 34.75 3i8f s LYS 87 CO 0.04 -0.18 0.32 0.15 0.10 0.00 0.00 175.35 175.78 3i8f s LYS 88 N 1.37 2.60 0.00 1.78 -0.14 -1.22 -4.94 119.74 119.18 3i8f s LYS 88 Ca -0.03 -1.60 0.00 0.00 -1.36 0.00 0.00 55.97 52.98 3i8f s LYS 88 Cb -0.13 -3.90 0.00 0.00 -1.68 0.00 0.00 37.83 32.12 3i8f s LYS 88 CO -0.03 -1.09 0.00 1.97 -0.76 0.00 0.00 175.35 175.45 3i8f n PHE 89 N 4.95 0.00 0.00 3.18 1.16 -1.26 -4.24 117.46 121.25 3i8f n PHE 89 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.49 3i8f n PHE 89 Cb 0.42 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.29 3i8f n PHE 89 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 3i8f n LEU 90 N 0.00 0.00 0.00 5.98 7.99 -1.26 -4.94 117.00 124.77 3i8f n LEU 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 3i8f n LEU 90 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 3i8f n LEU 90 CO 0.00 0.00 0.00 1.21 -1.51 0.00 0.00 177.39 177.09 3i8f n GLU 91 N 0.00 2.80 -3.47 3.23 4.07 -1.26 -5.07 120.64 120.94 3i8f n GLU 91 Ca 0.00 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 56.93 3i8f n GLU 91 Cb 0.00 0.00 -0.12 0.00 -0.06 0.00 0.00 31.44 31.26 3i8f n GLU 91 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3i8f s ASN 92 N -1.26 1.23 0.78 4.31 2.20 -1.26 -3.45 114.94 117.50 3i8f s ASN 92 Ca 0.00 -0.19 -0.15 0.00 -0.94 0.00 0.00 52.86 51.59 3i8f s ASN 92 Cb 0.00 0.49 0.03 0.00 -2.00 0.00 0.00 41.25 39.77 3i8f s ASN 92 CO 0.00 -0.33 0.88 0.61 -2.94 0.00 0.00 177.10 175.32 3i8f n GLY 93 N 5.32 -0.74 2.61 0.45 0.00 0.51 -4.79 105.19 108.55 3i8f n GLY 93 Ca -0.05 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 3i8f n GLY 93 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i8f n LYS 94 N -2.10 2.89 -3.36 1.61 4.81 -1.26 -1.44 118.16 119.31 3i8f n LYS 94 Ca 0.12 -4.73 -0.29 0.00 -0.87 0.00 0.00 58.31 52.53 3i8f n LYS 94 Cb 0.50 -2.27 -0.04 0.00 0.02 0.00 0.00 35.03 33.25 3i8f n LYS 94 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 3i8f s LYS 95 N -2.85 3.66 0.89 1.64 0.00 -1.26 -4.27 119.74 117.55 3i8f s LYS 95 Ca 0.42 0.05 -0.12 0.00 0.00 0.00 0.00 55.97 56.32 3i8f s LYS 95 Cb 0.19 -2.65 0.13 0.00 0.00 0.00 0.00 37.83 35.49 3i8f s LYS 95 CO -0.05 0.24 1.13 0.96 0.00 0.00 0.00 175.35 177.63 3i8f s ILE 96 N -2.02 2.17 -0.13 3.79 -4.36 -1.26 0.21 121.20 119.60 3i8f s ILE 96 Ca 0.44 0.06 0.00 0.00 -0.26 0.00 0.00 60.65 60.89 3i8f s ILE 96 Cb -0.11 -2.81 0.13 0.00 1.25 0.00 0.00 42.46 40.92 3i8f s ILE 96 CO 0.28 -0.07 1.60 -2.11 0.24 0.00 0.00 174.94 174.88 3i8f n ARG 97 N -3.70 1.35 0.00 0.37 0.00 -1.16 -3.62 116.66 109.89 3i8f n ARG 97 Ca 0.07 -0.75 0.00 0.00 -0.00 0.00 0.00 57.85 57.17 3i8f n ARG 97 Cb 0.59 -1.29 0.00 0.00 -0.00 0.00 0.00 32.46 31.76 3i8f n ARG 97 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 3i8f n VAL 98 N 0.50 0.00 0.00 8.89 3.14 -1.26 -5.09 118.33 124.52 3i8f n VAL 98 Ca 0.15 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.53 3i8f n VAL 98 Cb 0.66 0.08 0.00 0.00 -1.06 0.00 0.00 33.84 33.53 3i8f n VAL 98 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i8f s ALA 100 N -0.07 -1.94 -0.32 0.00 0.00 -1.26 -4.84 121.76 113.32 3i8f s ALA 100 Ca 0.00 1.48 0.07 0.00 0.00 0.00 0.00 51.96 53.52 3i8f s ALA 100 Cb 0.00 -0.44 0.49 0.00 0.00 0.00 0.00 23.12 23.17 3i8f s ALA 100 CO 0.00 -0.43 1.45 1.17 0.00 0.00 0.00 175.76 177.95 3i8f n LYS 101 N 0.37 2.25 0.00 0.00 4.81 -1.26 -4.58 118.16 119.75 3i8f n LYS 101 Ca -0.07 -3.41 0.00 0.00 -0.87 0.00 0.00 58.31 53.95 3i8f n LYS 101 Cb 0.59 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.70 3i8f n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57