#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8f s ARG 3 N 0.00 4.02 -0.80 -0.52 3.52 -1.26 -5.04 118.95 118.87 3i8f s ARG 3 Ca 0.00 -0.24 -0.14 0.00 -0.13 0.00 0.00 55.73 55.22 3i8f s ARG 3 Cb 0.00 -3.33 0.21 0.00 -1.56 0.00 0.00 34.95 30.27 3i8f s ARG 3 CO 0.00 0.37 0.74 0.00 -0.81 0.00 0.00 175.30 175.60 3i8f s ALA 4 N 0.14 4.04 0.38 6.12 0.00 -1.26 -5.04 121.76 126.15 3i8f s ALA 4 Ca 0.08 -3.25 -0.27 0.00 0.00 0.00 0.00 51.96 48.52 3i8f s ALA 4 Cb -0.11 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.43 3i8f s ALA 4 CO -0.01 -2.25 1.30 -1.59 0.00 0.00 0.00 175.76 173.21 3i8f s LYS 5 N 0.29 4.10 0.20 0.00 -2.85 -1.26 -4.84 119.74 115.38 3i8f s LYS 5 Ca 0.16 2.17 -0.07 0.00 -1.00 0.00 0.00 55.97 57.23 3i8f s LYS 5 Cb -0.12 -2.86 0.32 0.00 -2.06 0.00 0.00 37.83 33.11 3i8f s LYS 5 CO -0.08 -0.39 1.17 2.41 0.10 0.00 0.00 175.35 178.56 3i8f n THR 6 N 0.34 -0.33 -4.31 3.79 -1.04 -1.26 -4.82 114.28 106.66 3i8f n THR 6 Ca 0.02 1.72 0.00 0.00 -2.04 0.00 0.00 64.05 63.76 3i8f n THR 6 Cb 0.43 -2.36 0.00 0.00 -1.82 0.00 0.00 70.33 66.57 3i8f n THR 6 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i8f n GLY 7 N -1.45 0.47 0.17 3.41 0.00 -1.26 -3.57 105.19 102.95 3i8f n GLY 7 Ca 0.11 -0.88 0.13 0.00 0.00 0.00 0.00 46.02 45.38 3i8f n GLY 7 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3i8f h VAL 8 N 0.00 0.00 0.00 1.61 -1.51 -2.03 -3.40 116.25 110.92 3i8f h VAL 8 Ca 0.00 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 3i8f h VAL 8 Cb 0.00 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 3i8f h VAL 8 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 177.57 176.86 3i8f n VAL 9 N -2.66 0.00 -0.21 7.19 0.31 -1.23 -1.97 118.33 119.75 3i8f n VAL 9 Ca 0.04 1.19 0.02 0.00 -0.01 0.00 0.00 64.34 65.58 3i8f n VAL 9 Cb 0.44 -1.65 0.12 0.00 -0.91 0.00 0.00 33.84 31.85 3i8f n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3i8f h ARG 10 N 0.00 0.24 -0.47 5.55 2.43 -1.81 -1.63 114.38 118.69 3i8f h ARG 10 Ca 0.00 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3i8f h ARG 10 Cb 0.00 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.44 3i8f h ARG 10 CO 0.00 0.16 0.16 -0.09 -1.51 0.00 0.00 179.97 178.70 3i8f h ARG 11 N 0.25 0.32 -0.06 0.20 2.43 -1.76 -1.44 114.38 114.33 3i8f h ARG 11 Ca 0.34 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 3i8f h ARG 11 Cb 0.53 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3i8f h ARG 11 CO -0.44 0.22 0.01 0.00 -1.51 0.00 0.00 179.97 178.25 3i8f h ARG 12 N 0.33 0.09 -0.97 0.20 3.08 -0.71 0.23 114.38 116.64 3i8f h ARG 12 Ca 0.23 -0.02 0.19 0.00 0.07 0.00 0.00 59.98 60.44 3i8f h ARG 12 Cb 0.23 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.18 3i8f h ARG 12 CO -0.23 0.29 0.61 0.87 -1.07 0.00 0.00 179.97 180.44 3i8f h LYS 13 N -0.12 0.63 0.01 0.04 1.57 -0.95 0.23 116.57 117.99 3i8f h LYS 13 Ca 0.02 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 3i8f h LYS 13 Cb 0.24 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.42 3i8f h LYS 13 CO 0.00 0.42 -0.62 0.45 -0.57 0.00 0.00 179.45 179.13 3i8f h HIS 14 N 0.65 0.59 -0.95 -1.35 3.86 -0.95 -3.04 115.15 113.96 3i8f h HIS 14 Ca 0.53 -0.33 0.20 0.00 -1.16 0.00 0.00 60.37 59.61 3i8f h HIS 14 Cb 0.97 -0.06 -0.11 0.00 1.06 0.00 0.00 27.41 29.26 3i8f h HIS 14 CO -0.00 1.16 0.53 -0.22 0.86 0.00 0.00 177.93 180.26 3i8f h LYS 15 N -0.14 0.59 0.62 2.45 1.63 0.11 -1.59 116.57 120.24 3i8f h LYS 15 Ca -0.08 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.65 3i8f h LYS 15 Cb 1.34 -0.13 0.01 0.00 -0.60 0.00 0.00 32.23 32.84 3i8f h LYS 15 CO 0.12 0.39 -0.30 -0.22 -3.45 0.00 0.00 179.45 175.99 3i8f h LYS 16 N 0.61 -0.80 -0.66 1.90 3.64 -0.63 -2.81 116.57 117.81 3i8f h LYS 16 Ca 0.57 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 60.14 3i8f h LYS 16 Cb 0.98 0.18 -0.12 0.00 -0.41 0.00 0.00 32.23 32.86 3i8f h LYS 16 CO -0.44 -0.53 -0.15 0.82 -2.27 0.00 0.00 179.45 176.88 3i8f h ILE 17 N -0.94 0.35 -0.89 2.00 1.08 -1.34 -0.37 117.51 117.40 3i8f h ILE 17 Ca -0.09 -0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.51 3i8f h ILE 17 Cb 0.64 0.34 -0.07 0.00 -3.07 0.00 0.00 36.82 34.66 3i8f h ILE 17 CO 0.14 0.00 0.57 -0.07 -0.69 0.00 0.00 178.15 178.10 3i8f h LEU 18 N 0.01 0.69 -0.67 1.44 3.38 -1.32 0.30 115.31 119.14 3i8f h LEU 18 Ca 0.32 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.23 3i8f h LEU 18 Cb 0.50 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3i8f h LEU 18 CO -0.67 0.36 -0.00 0.50 0.09 0.00 0.00 178.44 178.72 3i8f h LYS 19 N 0.74 1.03 0.00 1.13 3.64 -0.81 -0.56 116.57 121.74 3i8f h LYS 19 Ca 0.44 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3i8f h LYS 19 Cb 0.64 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3i8f h LYS 19 CO -0.20 1.01 0.00 -0.07 -2.27 0.00 0.00 179.45 177.92 3i8f h LEU 20 N 0.94 0.00 -1.77 5.20 -0.00 0.21 -1.57 115.31 118.32 3i8f h LEU 20 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 3i8f h LEU 20 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 3i8f h LEU 20 CO 0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 178.44 178.41 3i8f n ALA 21 N -1.97 2.60 -1.52 1.53 0.00 -0.29 -4.98 120.51 115.88 3i8f n ALA 21 Ca -0.01 -0.67 -0.55 0.00 0.00 0.00 0.00 53.44 52.21 3i8f n ALA 21 Cb 0.15 -0.82 -0.07 0.00 0.00 0.00 0.00 19.45 18.71 3i8f n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i8f n LYS 22 N 1.13 0.42 -0.32 0.00 4.76 -0.59 -1.79 118.16 121.77 3i8f n LYS 22 Ca 0.14 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.73 3i8f n LYS 22 Cb 0.57 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 3i8f n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i8f n GLY 23 N 1.86 0.74 3.95 0.72 0.00 -1.26 -5.08 105.19 106.12 3i8f n GLY 23 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 3i8f n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i8f s TYR 24 N -2.36 3.25 0.28 1.61 4.12 -0.74 -5.07 117.35 118.45 3i8f s TYR 24 Ca 0.00 0.26 -0.28 0.00 0.02 0.00 0.00 57.07 57.06 3i8f s TYR 24 Cb 0.00 -2.28 -0.09 0.00 -1.52 0.00 0.00 41.96 38.07 3i8f s TYR 24 CO 0.00 -0.32 0.95 -0.46 0.02 0.00 0.00 175.55 175.74 3i8f s TRP 25 N -2.54 3.85 0.00 2.71 -0.11 -1.26 -4.34 118.94 117.26 3i8f s TRP 25 Ca 0.48 1.86 0.00 0.00 1.22 0.00 0.00 56.10 59.65 3i8f s TRP 25 Cb -0.10 -2.96 0.00 0.00 -1.50 0.00 0.00 33.47 28.91 3i8f s TRP 25 CO 0.38 0.33 0.00 0.41 -4.62 0.00 0.00 176.95 173.45 3i8f n GLY 26 N 1.09 1.18 0.35 5.86 0.00 -1.26 -0.68 105.19 111.73 3i8f n GLY 26 Ca -0.00 -0.45 0.17 0.00 0.00 0.00 0.00 46.02 45.73 3i8f n GLY 26 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i8f h LEU 27 N 0.00 0.00 -0.63 0.99 -0.00 -1.94 -1.70 115.31 112.03 3i8f h LEU 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3i8f h LEU 27 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 3i8f h LEU 27 CO 0.00 0.00 0.19 0.54 -0.00 0.00 0.00 178.44 179.17 3i8f n ARG 28 N -3.15 0.06 0.00 1.13 1.74 0.14 0.87 116.66 117.45 3i8f n ARG 28 Ca 0.00 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 3i8f n ARG 28 Cb 0.42 -1.90 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 3i8f n ARG 28 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3i8f n SER 29 N -1.81 2.28 -0.00 0.55 3.41 -0.65 -3.83 113.62 113.56 3i8f n SER 29 Ca -0.01 -0.15 0.06 0.00 -0.26 0.00 0.00 58.87 58.51 3i8f n SER 29 Cb 0.21 0.75 -0.08 0.00 -0.26 0.00 0.00 64.21 64.83 3i8f n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i8f n LYS 30 N -0.98 1.25 -3.78 4.33 5.02 0.81 -4.77 118.16 120.04 3i8f n LYS 30 Ca 0.00 -0.07 -0.36 0.00 -2.02 0.00 0.00 58.31 55.86 3i8f n LYS 30 Cb 0.00 -1.19 -0.11 0.00 -0.02 0.00 0.00 35.03 33.70 3i8f n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3i8f s SER 31 N -2.92 5.21 0.00 4.39 0.15 0.25 -4.98 113.70 115.80 3i8f s SER 31 Ca -0.02 -2.21 0.00 0.00 0.70 0.00 0.00 55.95 54.42 3i8f s SER 31 Cb 0.08 -1.82 0.00 0.00 -1.71 0.00 0.00 66.02 62.56 3i8f s SER 31 CO 0.46 -0.50 0.00 0.33 1.20 0.00 0.00 173.24 174.73 3i8f n PHE 32 N 4.34 0.00 0.26 3.44 -0.00 -1.26 0.19 117.46 124.42 3i8f n PHE 32 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.29 3i8f n PHE 32 Cb 0.40 -0.42 -0.08 0.00 -0.00 0.00 0.00 39.48 39.39 3i8f n PHE 32 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3i8f h ARG 33 N 0.00 -0.62 -0.50 -4.13 3.08 -1.94 0.40 114.38 110.66 3i8f h ARG 33 Ca 0.00 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.22 3i8f h ARG 33 Cb 0.00 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3i8f h ARG 33 CO 0.00 -0.41 0.36 0.87 -1.07 0.00 0.00 179.97 179.71 3i8f h LYS 34 N -0.64 0.07 0.06 0.04 1.79 0.18 -2.00 116.57 116.07 3i8f h LYS 34 Ca -0.06 -0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.20 3i8f h LYS 34 Cb 0.51 -0.02 0.02 0.00 -1.58 0.00 0.00 32.23 31.16 3i8f h LYS 34 CO 0.08 0.05 -0.84 0.00 -1.08 0.00 0.00 179.45 177.66 3i8f h ALA 35 N 1.75 0.03 -0.71 3.86 0.00 -0.36 -2.97 119.26 120.85 3i8f h ALA 35 Ca 0.24 -0.65 0.04 0.00 0.00 0.00 0.00 54.91 54.53 3i8f h ALA 35 Cb 0.85 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 3i8f h ALA 35 CO -0.02 0.47 0.44 -0.09 0.00 0.00 0.00 179.25 180.05 3i8f h ARG 36 N -0.02 0.82 -0.24 0.00 2.43 0.49 -0.04 114.38 117.82 3i8f h ARG 36 Ca -0.12 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 3i8f h ARG 36 Cb 1.56 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 3i8f h ARG 36 CO 0.16 0.54 0.02 0.93 -1.51 0.00 0.00 179.97 180.11 3i8f h GLU 37 N 0.84 0.40 -0.95 0.20 5.08 -1.55 -0.43 114.58 118.18 3i8f h GLU 37 Ca 0.29 -0.12 0.14 0.00 -1.00 0.00 0.00 59.36 58.68 3i8f h GLU 37 Cb 0.06 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.19 3i8f h GLU 37 CO -0.13 0.56 0.60 1.15 -1.00 0.00 0.00 179.01 180.19 3i8f h THR 38 N 0.19 0.85 -0.13 1.13 2.02 -1.26 0.13 112.91 115.84 3i8f h THR 38 Ca 0.07 -0.28 -0.13 0.00 0.77 0.00 0.00 66.41 66.84 3i8f h THR 38 Cb 0.37 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 3i8f h THR 38 CO 0.01 0.15 -0.47 -0.07 0.37 0.00 0.00 175.52 175.51 3i8f h LEU 39 N 0.81 0.36 -0.37 2.58 3.38 -0.50 -1.00 115.31 120.57 3i8f h LEU 39 Ca 0.48 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.33 3i8f h LEU 39 Cb 0.66 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 3i8f h LEU 39 CO -0.25 0.78 0.13 -0.26 0.09 0.00 0.00 178.44 178.93 3i8f h PHE 40 N 0.27 0.23 -0.27 1.13 0.05 0.95 0.06 116.94 119.35 3i8f h PHE 40 Ca 0.02 0.02 -0.15 0.00 3.82 0.00 0.00 57.97 61.68 3i8f h PHE 40 Cb 0.93 -0.05 -0.00 0.00 2.00 0.00 0.00 35.95 38.83 3i8f h PHE 40 CO 0.02 0.09 -0.40 0.00 -0.18 0.00 0.00 178.31 177.85 3i8f h ALA 41 N 1.24 0.42 0.02 2.45 0.00 -1.31 -2.95 119.26 119.13 3i8f h ALA 41 Ca 0.17 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.66 3i8f h ALA 41 Cb 0.15 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3i8f h ALA 41 CO -0.17 0.52 -0.32 0.00 0.00 0.00 0.00 179.25 179.28 3i8f h ALA 42 N 0.67 -0.47 -0.62 0.00 0.00 -0.90 0.22 119.26 118.16 3i8f h ALA 42 Ca 0.03 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.04 3i8f h ALA 42 Cb 0.99 0.55 -0.12 0.00 0.00 0.00 0.00 17.79 19.21 3i8f h ALA 42 CO 0.09 -0.83 -0.23 0.78 0.00 0.00 0.00 179.25 179.06 3i8f h GLY 43 N -0.48 0.24 1.14 0.00 0.00 -0.94 0.11 103.07 103.14 3i8f h GLY 43 Ca 0.06 0.30 -0.18 0.00 0.00 0.00 0.00 47.33 47.51 3i8f h GLY 43 CO -0.25 -0.24 -0.49 3.43 0.00 0.00 0.00 176.54 179.00 3i8f h ASN 44 N -0.07 0.99 -0.59 0.19 4.21 -1.30 -2.16 115.58 116.85 3i8f h ASN 44 Ca 0.28 -0.51 0.08 0.00 1.21 0.00 0.00 56.30 57.36 3i8f h ASN 44 Cb 0.51 -0.28 -0.06 0.00 -1.12 0.00 0.00 38.32 37.37 3i8f h ASN 44 CO -0.67 1.31 0.25 1.88 -1.29 0.00 0.00 177.43 178.91 3i8f h TYR 45 N 0.71 0.44 0.00 1.19 0.99 0.32 0.11 116.97 120.73 3i8f h TYR 45 Ca 0.03 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.79 3i8f h TYR 45 Cb 1.09 -0.11 0.00 0.00 1.00 0.00 0.00 36.73 38.71 3i8f h TYR 45 CO 0.07 0.15 0.00 0.00 -0.00 0.00 0.00 178.16 178.38 3i8f n ALA 46 N -2.42 -0.39 -0.35 3.88 0.00 0.31 -0.36 120.51 121.17 3i8f n ALA 46 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.44 3i8f n ALA 46 Cb 0.23 0.09 -0.07 0.00 0.00 0.00 0.00 19.45 19.71 3i8f n ALA 46 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3i8f n TYR 47 N -2.11 -0.31 0.16 0.00 9.36 -0.83 0.15 117.16 123.58 3i8f n TYR 47 Ca 0.00 1.05 0.16 0.00 3.32 0.00 0.00 57.90 62.44 3i8f n TYR 47 Cb 0.00 -0.60 0.76 0.00 -0.63 0.00 0.00 39.34 38.86 3i8f n TYR 47 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3i8f h ALA 48 N 0.53 2.02 0.03 2.98 0.00 -0.63 -2.22 119.26 121.98 3i8f h ALA 48 Ca 0.16 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.78 3i8f h ALA 48 Cb 0.37 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3i8f h ALA 48 CO -0.80 -0.34 -1.51 0.45 0.00 0.00 0.00 179.25 177.05 3i8f h HIS 49 N 0.00 0.11 0.00 0.00 3.86 0.44 -2.05 115.15 117.51 3i8f h HIS 49 Ca 0.12 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 3i8f h HIS 49 Cb 0.54 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.00 3i8f h HIS 49 CO 0.00 1.11 -0.16 0.00 0.86 0.00 0.00 177.93 179.74 3i8f h ARG 50 N 0.02 0.00 0.23 2.45 3.08 -0.17 1.02 114.38 121.00 3i8f h ARG 50 Ca -0.21 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.51 3i8f h ARG 50 Cb 1.95 0.00 0.03 0.00 0.08 0.00 0.00 29.97 32.03 3i8f h ARG 50 CO 0.11 0.16 -1.47 0.87 -1.07 0.00 0.00 179.97 178.57 3i8f h LYS 51 N 0.00 0.49 0.00 0.04 1.79 -1.58 -3.24 116.57 114.07 3i8f h LYS 51 Ca -0.00 -0.84 0.00 0.00 -2.18 0.00 0.00 60.65 57.63 3i8f h LYS 51 Cb 0.35 0.31 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 3i8f h LYS 51 CO 0.02 1.40 0.00 0.00 -1.08 0.00 0.00 179.45 179.79 3i8f h ARG 52 N 0.13 0.00 0.27 3.15 2.47 -0.29 -3.25 114.38 116.86 3i8f h ARG 52 Ca -0.25 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.46 3i8f h ARG 52 Cb 2.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.46 3i8f h ARG 52 CO 0.26 0.00 -0.13 -0.09 0.56 0.00 0.00 179.97 180.57 3i8f h ARG 53 N 0.00 -0.35 -0.44 0.04 2.43 0.97 -2.63 114.38 114.39 3i8f h ARG 53 Ca 0.00 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3i8f h ARG 53 Cb 0.35 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.92 3i8f h ARG 53 CO 0.00 -0.23 -0.31 0.87 -1.51 0.00 0.00 179.97 178.78 3i8f h LYS 54 N -0.50 -0.06 -0.22 0.20 1.57 -1.70 0.50 116.57 116.36 3i8f h LYS 54 Ca -0.04 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3i8f h LYS 54 Cb 0.28 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3i8f h LYS 54 CO 0.06 -0.04 0.45 0.00 -0.57 0.00 0.00 179.45 179.35 3i8f h ARG 55 N -0.06 0.00 0.20 3.15 3.08 -1.67 -0.31 114.38 118.77 3i8f h ARG 55 Ca 0.07 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.80 3i8f h ARG 55 Cb 0.25 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.32 3i8f h ARG 55 CO -0.45 0.00 -1.52 0.22 -1.07 0.00 0.00 179.97 177.15 3i8f h ASP 56 N 0.00 0.66 -0.24 7.04 1.82 0.32 -3.30 116.42 122.73 3i8f h ASP 56 Ca 0.10 -0.92 -0.07 0.00 -0.39 0.00 0.00 57.03 55.75 3i8f h ASP 56 Cb 1.01 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.79 3i8f h ASP 56 CO -0.00 1.71 -0.13 -0.26 -1.61 0.00 0.00 179.24 178.94 3i8f h PHE 57 N 0.02 0.59 -0.99 0.28 -1.00 0.36 -2.80 116.94 113.40 3i8f h PHE 57 Ca -0.29 -0.15 0.18 0.00 2.81 0.00 0.00 57.97 60.52 3i8f h PHE 57 Cb 2.04 -0.13 -0.11 0.00 3.61 0.00 0.00 35.95 41.36 3i8f h PHE 57 CO 0.13 0.79 0.59 -0.09 -1.61 0.00 0.00 178.31 178.11 3i8f h ARG 58 N 0.22 0.74 -0.61 1.51 2.43 -1.59 0.20 114.38 117.29 3i8f h ARG 58 Ca 0.05 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 3i8f h ARG 58 Cb 0.64 -0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 29.95 3i8f h ARG 58 CO 0.04 0.49 0.22 0.00 -1.51 0.00 0.00 179.97 179.21 3i8f h ARG 59 N 0.76 0.39 0.54 0.20 3.08 -1.57 -0.07 114.38 117.70 3i8f h ARG 59 Ca 0.56 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.56 3i8f h ARG 59 Cb 0.86 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.82 3i8f h ARG 59 CO -0.38 0.26 -0.26 1.25 -1.07 0.00 0.00 179.97 179.77 3i8f h LEU 60 N 0.40 -0.61 -0.97 3.04 5.85 -0.53 -2.28 115.31 120.21 3i8f h LEU 60 Ca 0.31 -0.01 0.28 0.00 0.84 0.00 0.00 57.88 59.30 3i8f h LEU 60 Cb 0.38 0.16 -0.14 0.00 0.37 0.00 0.00 40.66 41.43 3i8f h LEU 60 CO -0.31 -0.38 0.51 -0.50 -0.34 0.00 0.00 178.44 177.42 3i8f h TRP 61 N -0.80 0.84 0.39 1.25 6.55 -0.78 0.38 115.95 123.78 3i8f h TRP 61 Ca -0.07 0.04 -0.02 0.00 0.95 0.00 0.00 58.89 59.79 3i8f h TRP 61 Cb 0.59 -0.21 0.00 0.00 -0.86 0.00 0.00 29.16 28.68 3i8f h TRP 61 CO -0.02 -0.11 -0.19 0.82 -1.05 0.00 0.00 178.44 177.89 3i8f h ILE 62 N 0.38 0.62 -0.80 1.49 5.03 -0.63 0.14 117.51 123.75 3i8f h ILE 62 Ca 0.67 -0.16 0.01 0.00 -0.12 0.00 0.00 64.86 65.26 3i8f h ILE 62 Cb 1.43 0.71 -0.04 0.00 -3.03 0.00 0.00 36.82 35.89 3i8f h ILE 62 CO -0.58 0.03 0.52 0.58 -0.68 0.00 0.00 178.15 178.03 3i8f h VAL 63 N -0.61 1.21 0.00 1.67 2.07 -0.30 0.60 116.25 120.89 3i8f h VAL 63 Ca -0.05 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3i8f h VAL 63 Cb 0.45 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3i8f h VAL 63 CO 0.09 0.20 0.00 -1.14 0.02 0.00 0.00 177.57 176.74 3i8f n ARG 64 N -4.52 0.00 -0.18 1.57 3.00 0.11 -0.85 116.66 115.78 3i8f n ARG 64 Ca 0.08 0.58 -0.04 0.00 -0.00 0.00 0.00 57.85 58.47 3i8f n ARG 64 Cb 0.02 -1.41 0.03 0.00 0.00 0.00 0.00 32.46 31.09 3i8f n ARG 64 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 3i8f h ILE 65 N 0.00 0.28 -0.46 5.15 5.03 -0.83 -0.23 117.51 126.46 3i8f h ILE 65 Ca 0.00 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.79 3i8f h ILE 65 Cb 0.00 0.28 -0.07 0.00 -3.03 0.00 0.00 36.82 33.99 3i8f h ILE 65 CO 0.00 0.00 -0.46 -1.13 -0.68 0.00 0.00 178.15 175.88 3i8f h ASN 66 N -0.11 -1.57 -0.48 1.72 -1.24 0.35 0.30 115.58 114.54 3i8f h ASN 66 Ca 0.25 0.22 0.10 0.00 0.71 0.00 0.00 56.30 57.57 3i8f h ASN 66 Cb 0.51 0.66 -0.09 0.00 0.73 0.00 0.00 38.32 40.12 3i8f h ASN 66 CO -0.63 -0.29 -0.12 0.00 -1.29 0.00 0.00 177.43 175.10 3i8f h ALA 67 N -0.16 0.31 0.22 1.57 0.00 0.09 0.52 119.26 121.81 3i8f h ALA 67 Ca 0.08 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3i8f h ALA 67 Cb 0.44 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3i8f h ALA 67 CO -0.55 -0.45 -0.29 0.00 0.00 0.00 0.00 179.25 177.96 3i8f h ALA 68 N 1.47 -0.93 0.00 0.00 0.00 0.70 -1.98 119.26 118.53 3i8f h ALA 68 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3i8f h ALA 68 Cb 0.36 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3i8f h ALA 68 CO -0.50 -0.96 0.00 0.00 0.00 0.00 0.00 179.25 177.79 3i8f h ARG 70 N 0.00 0.27 0.47 0.00 2.47 0.76 -2.35 114.38 116.00 3i8f h ARG 70 Ca 0.00 -0.22 -0.02 0.00 -1.26 0.00 0.00 59.98 58.48 3i8f h ARG 70 Cb 0.19 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 3i8f h ARG 70 CO 0.00 0.87 -0.24 0.37 0.56 0.00 0.00 179.97 181.53 3i8f h GLN 71 N 0.18 -0.63 -0.31 0.04 -0.00 -0.48 -3.25 115.11 110.67 3i8f h GLN 71 Ca -0.02 0.04 0.06 0.00 -0.00 0.00 0.00 58.65 58.73 3i8f h GLN 71 Cb 1.28 0.14 -0.08 0.00 0.00 0.00 0.00 27.48 28.82 3i8f h GLN 71 CO 0.11 -0.42 -0.37 0.45 0.00 0.00 0.00 178.83 178.60 3i8f h HIS 72 N -0.65 -1.06 0.00 3.99 3.86 -1.61 -3.46 115.15 116.23 3i8f h HIS 72 Ca -0.06 0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3i8f h HIS 72 Cb 0.50 0.51 0.00 0.00 1.06 0.00 0.00 27.41 29.48 3i8f h HIS 72 CO 0.08 -0.42 0.00 0.41 0.86 0.00 0.00 177.93 178.86 3i8f n GLY 73 N -1.42 0.00 3.45 2.45 0.00 -1.08 -5.14 105.19 103.45 3i8f n GLY 73 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 3i8f n GLY 73 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i8f s LEU 74 N 0.00 2.05 0.66 0.99 0.05 -0.91 -5.01 118.68 116.51 3i8f s LEU 74 Ca 0.00 -1.46 -0.11 0.00 0.05 0.00 0.00 54.13 52.61 3i8f s LEU 74 Cb 0.00 -0.25 -0.01 0.00 -2.05 0.00 0.00 46.19 43.88 3i8f s LEU 74 CO 0.00 -0.72 1.05 0.20 -0.55 0.00 0.00 176.35 176.33 3i8f s ASN 75 N -3.50 5.71 0.25 1.48 0.01 -1.26 -3.57 114.94 114.06 3i8f s ASN 75 Ca 0.33 1.55 -0.02 0.00 -0.71 0.00 0.00 52.86 54.01 3i8f s ASN 75 Cb 0.07 -2.49 0.31 0.00 0.41 0.00 0.00 41.25 39.55 3i8f s ASN 75 CO 0.15 -1.22 1.72 0.22 -1.51 0.00 0.00 177.10 176.46 3i8f h TYR 76 N -0.52 0.80 0.65 2.20 3.20 -1.92 0.53 116.97 121.90 3i8f h TYR 76 Ca -0.44 -0.14 -0.03 0.00 3.14 0.00 0.00 58.73 61.26 3i8f h TYR 76 Cb 1.20 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.27 3i8f h TYR 76 CO 0.63 0.80 -0.33 0.66 -1.64 0.00 0.00 178.16 178.28 3i8f h SER 77 N 0.67 -0.80 -0.92 -2.11 4.64 -1.99 0.40 113.55 113.44 3i8f h SER 77 Ca 0.12 0.03 0.21 0.00 -0.47 0.00 0.00 61.79 61.68 3i8f h SER 77 Cb 0.55 0.21 -0.12 0.00 -0.31 0.00 0.00 62.40 62.74 3i8f h SER 77 CO 0.03 -0.54 0.48 0.71 -0.87 0.00 0.00 176.83 176.63 3i8f h THR 78 N -0.89 0.57 -0.22 2.95 1.35 -1.92 0.17 112.91 114.92 3i8f h THR 78 Ca -0.09 -0.18 -0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3i8f h THR 78 Cb 0.69 -0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.09 3i8f h THR 78 CO 0.13 0.10 0.12 0.15 -0.25 0.00 0.00 175.52 175.77 3i8f h PHE 79 N 0.53 0.30 -0.50 4.73 -0.00 -0.68 -2.55 116.94 118.77 3i8f h PHE 79 Ca 0.56 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.97 58.46 3i8f h PHE 79 Cb 1.00 -0.09 -0.02 0.00 -0.00 0.00 0.00 35.95 36.83 3i8f h PHE 79 CO -0.08 0.26 0.03 0.82 -0.00 0.00 0.00 178.31 179.34 3i8f h ILE 80 N 0.24 1.24 0.11 1.41 1.08 0.13 -2.26 117.51 119.47 3i8f h ILE 80 Ca 0.08 -0.98 -0.01 0.00 -0.39 0.00 0.00 64.86 63.57 3i8f h ILE 80 Cb 0.06 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 34.64 3i8f h ILE 80 CO -0.01 0.35 -0.06 -0.74 -0.69 0.00 0.00 178.15 177.00 3i8f h HIS 81 N 0.77 -0.14 -0.41 1.37 2.76 -0.53 -2.06 115.15 116.90 3i8f h HIS 81 Ca 0.15 -0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.44 3i8f h HIS 81 Cb 0.43 0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.42 3i8f h HIS 81 CO 0.02 -0.09 0.46 0.78 -1.30 0.00 0.00 177.93 177.81 3i8f h GLY 82 N -0.15 0.00 2.00 5.26 0.00 -1.52 0.76 103.07 109.42 3i8f h GLY 82 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 3i8f h GLY 82 CO 0.02 0.00 -0.52 -2.00 0.00 0.00 0.00 176.54 174.05 3i8f h LEU 83 N 0.00 0.00 -0.01 3.11 5.85 -1.19 -2.30 115.31 120.77 3i8f h LEU 83 Ca 0.20 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 3i8f h LEU 83 Cb 1.12 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.16 3i8f h LEU 83 CO -0.00 0.52 -0.26 0.50 -0.34 0.00 0.00 178.44 178.85 3i8f h LYS 84 N 0.00 0.19 0.00 1.25 3.64 0.12 -2.67 116.57 119.11 3i8f h LYS 84 Ca -0.01 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3i8f h LYS 84 Cb 0.99 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3i8f h LYS 84 CO 0.07 0.92 0.00 1.63 -2.27 0.00 0.00 179.45 179.79 3i8f n LYS 85 N -4.49 0.07 -0.05 1.90 5.02 -0.68 -0.61 118.16 119.32 3i8f n LYS 85 Ca -0.10 0.27 -0.03 0.00 -2.02 0.00 0.00 58.31 56.44 3i8f n LYS 85 Cb 0.51 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.87 3i8f n LYS 85 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i8f n ALA 86 N -1.37 1.89 -2.01 7.82 0.00 -0.87 -4.95 120.51 121.02 3i8f n ALA 86 Ca 0.03 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.51 3i8f n ALA 86 Cb 0.08 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.03 3i8f n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8f n GLY 87 N 1.56 0.58 2.91 0.00 0.00 0.22 -5.05 105.19 105.41 3i8f n GLY 87 Ca -0.21 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 3i8f n GLY 87 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i8f s ILE 88 N -2.90 2.93 -0.83 -0.61 -4.36 -1.16 -4.88 121.20 109.39 3i8f s ILE 88 Ca 0.00 -4.20 0.00 0.00 -0.26 0.00 0.00 60.65 56.19 3i8f s ILE 88 Cb 0.00 -2.93 0.00 0.00 1.25 0.00 0.00 42.46 40.78 3i8f s ILE 88 CO 0.00 -0.99 0.71 -0.62 0.24 0.00 0.00 174.94 174.28 3i8f n GLU 89 N 2.06 0.00 0.00 0.37 1.02 -1.26 -3.94 120.64 118.89 3i8f n GLU 89 Ca 0.19 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 3i8f n GLU 89 Cb 0.35 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3i8f n GLU 89 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3i8f n VAL 90 N -1.21 0.00 0.00 2.62 0.31 -1.26 -4.12 118.33 114.67 3i8f n VAL 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i8f n VAL 90 Cb 0.13 -0.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 3i8f n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3i8f n ASP 91 N 0.00 0.00 -2.28 4.52 4.64 -1.25 -4.77 116.55 117.41 3i8f n ASP 91 Ca 0.00 0.00 -0.03 0.00 -1.38 0.00 0.00 54.79 53.38 3i8f n ASP 91 Cb 0.00 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.06 3i8f n ASP 91 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 3i8f n ARG 92 N 0.00 -4.03 -0.20 -0.67 3.00 -1.26 -1.85 116.66 111.66 3i8f n ARG 92 Ca 0.00 3.07 0.19 0.00 -0.00 0.00 0.00 57.85 61.11 3i8f n ARG 92 Cb 0.00 -4.21 0.35 0.00 0.00 0.00 0.00 32.46 28.60 3i8f n ARG 92 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3i8f n LYS 93 N 1.45 -0.03 0.00 -0.14 4.01 -1.26 0.03 118.16 122.22 3i8f n LYS 93 Ca -0.21 0.80 0.00 0.00 -0.51 0.00 0.00 58.31 58.40 3i8f n LYS 93 Cb 0.32 -1.46 0.00 0.00 -0.51 0.00 0.00 35.03 33.38 3i8f n LYS 93 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 3i8f n ASN 94 N -4.28 0.00 0.00 4.39 5.15 -1.26 -2.97 115.26 116.30 3i8f n ASN 94 Ca 0.22 0.85 0.03 0.00 -0.60 0.00 0.00 54.58 55.08 3i8f n ASN 94 Cb 0.78 -0.36 0.16 0.00 -0.53 0.00 0.00 39.78 39.83 3i8f n ASN 94 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3i8f n LEU 95 N -1.57 0.00 -0.55 1.20 4.77 0.10 -0.74 117.00 120.22 3i8f n LEU 95 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i8f n LEU 95 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i8f n LEU 95 CO 0.00 0.00 0.21 0.00 -1.33 0.00 0.00 177.39 176.27 3i8f n ALA 96 N -0.97 2.17 0.27 -1.18 0.00 0.15 -2.91 120.51 118.05 3i8f n ALA 96 Ca 0.04 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.64 3i8f n ALA 96 Cb 0.02 -1.00 0.90 0.00 0.00 0.00 0.00 19.45 19.37 3i8f n ALA 96 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3i8f h ASP 97 N 0.25 0.00 0.00 0.00 3.58 -1.12 -3.38 116.42 115.74 3i8f h ASP 97 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3i8f h ASP 97 Cb 0.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.48 3i8f h ASP 97 CO 0.00 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.36 3i8f n LEU 98 N -3.81 0.00 0.00 2.28 -0.00 -1.15 -3.94 117.00 110.38 3i8f n LEU 98 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 3i8f n LEU 98 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.57 3i8f n LEU 98 CO 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.66 3i8f n ALA 99 N -3.00 0.00 -3.55 1.47 0.00 -1.25 -4.74 120.51 109.45 3i8f n ALA 99 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3i8f n ALA 99 Cb 0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.35 3i8f n ALA 99 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i8f s VAL 100 N -0.98 -0.00 -0.23 0.00 1.01 -1.25 -4.64 120.40 114.31 3i8f s VAL 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3i8f s VAL 100 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.51 3i8f s VAL 100 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 175.10 172.99 3i8f n ARG 101 N 2.98 -1.85 -1.05 2.72 1.85 -1.26 -4.38 116.66 115.66 3i8f n ARG 101 Ca -0.15 0.35 -0.04 0.00 -1.00 0.00 0.00 57.85 57.00 3i8f n ARG 101 Cb 0.56 -4.04 -0.03 0.00 -1.05 0.00 0.00 32.46 27.90 3i8f n ARG 101 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3i8f n GLU 102 N 0.09 0.14 0.00 2.89 -0.58 -1.26 -4.98 120.64 116.93 3i8f n GLU 102 Ca -0.02 -0.71 0.00 0.00 -0.42 0.00 0.00 57.16 56.01 3i8f n GLU 102 Cb 0.29 0.47 0.02 0.00 -0.57 0.00 0.00 31.44 31.64 3i8f n GLU 102 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3i8f n PRO 103 N -0.15 0.00 0.09 3.49 -0.04 -1.26 -2.22 135.00 134.91 3i8f n PRO 103 Ca -0.18 0.47 -0.12 0.00 -0.04 0.00 0.00 63.50 63.62 3i8f n PRO 103 Cb 0.59 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.47 3i8f n PRO 103 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3i8f h GLN 104 N 0.00 -0.27 -0.08 0.54 1.08 -1.96 -2.70 115.11 111.72 3i8f h GLN 104 Ca 0.00 0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 3i8f h GLN 104 Cb 0.01 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.50 3i8f h GLN 104 CO 0.00 0.11 -0.05 -0.39 -0.95 0.00 0.00 178.83 177.55 3i8f h VAL 105 N -0.72 1.33 -0.90 -0.54 -1.51 -1.88 -2.96 116.25 109.07 3i8f h VAL 105 Ca -0.03 -1.09 0.20 0.00 -1.23 0.00 0.00 66.70 64.55 3i8f h VAL 105 Cb 0.49 1.88 -0.17 0.00 -2.13 0.00 0.00 31.29 31.37 3i8f h VAL 105 CO 0.05 0.30 -0.15 0.15 -1.23 0.00 0.00 177.57 176.69 3i8f h PHE 106 N -0.20 -0.35 -1.13 5.19 3.57 -1.60 1.10 116.94 123.52 3i8f h PHE 106 Ca 0.02 0.08 0.38 0.00 3.53 0.00 0.00 57.97 61.98 3i8f h PHE 106 Cb 0.51 0.29 -0.14 0.00 2.79 0.00 0.00 35.95 39.40 3i8f h PHE 106 CO 0.07 -0.38 0.68 0.00 -2.23 0.00 0.00 178.31 176.45 3i8f h ALA 107 N 1.89 2.32 0.04 2.41 0.00 -1.30 0.57 119.26 125.19 3i8f h ALA 107 Ca 0.46 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.47 3i8f h ALA 107 Cb 0.77 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3i8f h ALA 107 CO -0.89 -0.97 -0.34 0.93 0.00 0.00 0.00 179.25 177.98 3i8f h GLU 108 N 0.17 0.09 0.00 0.00 5.08 0.11 -2.95 114.58 117.08 3i8f h GLU 108 Ca 0.78 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.98 3i8f h GLU 108 Cb 2.14 0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.45 3i8f h GLU 108 CO -0.55 1.08 0.11 1.28 -1.00 0.00 0.00 179.01 179.92 3i8f n LEU 109 N -4.44 0.00 -0.08 1.33 4.77 0.05 -0.83 117.00 117.80 3i8f n LEU 109 Ca -0.13 0.36 -0.06 0.00 -0.03 0.00 0.00 56.01 56.15 3i8f n LEU 109 Cb 0.60 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 3i8f n LEU 109 CO 0.38 -0.36 -0.44 0.52 -1.33 0.00 0.00 177.39 176.15 3i8f n VAL 110 N -1.35 1.44 0.25 4.08 0.31 -0.37 -4.03 118.33 118.65 3i8f n VAL 110 Ca 0.00 0.19 -0.18 0.00 -0.01 0.00 0.00 64.34 64.34 3i8f n VAL 110 Cb 0.11 -2.37 -0.10 0.00 -0.91 0.00 0.00 33.84 30.56 3i8f n VAL 110 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3i8f h GLU 111 N -1.00 -0.91 -1.38 5.55 4.39 -1.04 0.85 114.58 121.04 3i8f h GLU 111 Ca -0.01 0.06 0.47 0.00 0.34 0.00 0.00 59.36 60.23 3i8f h GLU 111 Cb 0.66 0.21 -0.14 0.00 -0.10 0.00 0.00 28.75 29.38 3i8f h GLU 111 CO -0.01 -0.61 0.89 0.00 -1.16 0.00 0.00 179.01 178.12 3i8f h ARG 112 N -0.94 0.02 0.00 2.33 2.47 -1.23 0.26 114.38 117.29 3i8f h ARG 112 Ca -0.05 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3i8f h ARG 112 Cb 0.85 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.16 3i8f h ARG 112 CO -0.12 0.01 0.00 0.00 0.56 0.00 0.00 179.97 180.42 3i8f n ALA 113 N -2.52 -0.11 0.00 0.04 0.00 -0.13 -1.37 120.51 116.41 3i8f n ALA 113 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3i8f n ALA 113 Cb 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 21.00 3i8f n ALA 113 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3i8f n LYS 114 N -1.81 0.00 -0.10 0.00 2.85 0.11 -1.01 118.16 118.20 3i8f n LYS 114 Ca 0.00 0.27 -0.16 0.00 -1.05 0.00 0.00 58.31 57.37 3i8f n LYS 114 Cb 0.00 -1.59 -0.08 0.00 -0.65 0.00 0.00 35.03 32.72 3i8f n LYS 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i8f n ALA 115 N -1.24 0.73 0.74 0.58 0.00 0.87 -3.64 120.51 118.55 3i8f n ALA 115 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3i8f n ALA 115 Cb 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.28 3i8f n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8f n ALA 116 N -3.65 2.15 0.07 0.00 0.00 -0.18 -3.74 120.51 115.16 3i8f n ALA 116 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3i8f n ALA 116 Cb 0.56 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3i8f n ALA 116 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3i8f n GLN 117 N 0.28 0.00 0.00 0.00 0.00 -1.05 -4.59 117.38 112.02 3i8f n GLN 117 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3i8f n GLN 117 Cb 0.24 -0.38 0.00 0.00 0.00 0.00 0.00 30.24 30.11 3i8f n GLN 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47