#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i s ARG 3 N 0.00 3.19 -0.56 -0.52 3.52 -1.26 -5.07 118.95 118.25 3i8i s ARG 3 Ca 0.00 -0.76 -0.03 0.00 -0.13 0.00 0.00 55.73 54.82 3i8i s ARG 3 Cb 0.00 -2.62 0.15 0.00 -1.56 0.00 0.00 34.95 30.91 3i8i s ARG 3 CO 0.00 -0.00 0.37 0.00 -0.81 0.00 0.00 175.30 174.85 3i8i s ALA 4 N 0.86 3.45 0.78 6.12 0.00 -1.26 -5.09 121.76 126.63 3i8i s ALA 4 Ca -0.04 -3.06 -0.11 0.00 0.00 0.00 0.00 51.96 48.75 3i8i s ALA 4 Cb -0.15 -2.58 0.06 0.00 0.00 0.00 0.00 23.12 20.46 3i8i s ALA 4 CO -0.01 -2.02 1.09 -1.59 0.00 0.00 0.00 175.76 173.23 3i8i s LYS 5 N 0.26 2.17 0.18 0.00 -2.85 -1.26 -4.92 119.74 113.32 3i8i s LYS 5 Ca 0.14 1.14 -0.20 0.00 -1.00 0.00 0.00 55.97 56.06 3i8i s LYS 5 Cb -0.21 -1.89 0.10 0.00 -2.06 0.00 0.00 37.83 33.77 3i8i s LYS 5 CO -0.03 -1.69 1.61 1.15 0.10 0.00 0.00 175.35 176.48 3i8i h THR 6 N -1.16 0.30 0.00 3.79 2.02 -2.04 -3.45 112.91 112.37 3i8i h THR 6 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3i8i h THR 6 Cb 1.23 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 3i8i h THR 6 CO 0.52 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.02 3i8i n GLY 7 N -1.41 2.12 0.09 2.16 0.00 -1.26 -3.06 105.19 103.83 3i8i n GLY 7 Ca 0.03 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 3i8i n GLY 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3i8i n VAL 8 N 0.00 1.45 -0.15 1.61 3.14 -1.26 -4.65 118.33 118.48 3i8i n VAL 8 Ca 0.00 -0.83 -0.04 0.00 -2.96 0.00 0.00 64.34 60.52 3i8i n VAL 8 Cb 0.00 -0.69 -0.04 0.00 -1.06 0.00 0.00 33.84 32.06 3i8i n VAL 8 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 3i8i n VAL 9 N -2.86 -0.24 0.17 1.55 0.31 -1.17 -2.64 118.33 113.45 3i8i n VAL 9 Ca -0.26 1.32 -0.14 0.00 -0.01 0.00 0.00 64.34 65.25 3i8i n VAL 9 Cb 1.10 -1.67 -0.08 0.00 -0.91 0.00 0.00 33.84 32.28 3i8i n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3i8i h ARG 10 N 0.00 -0.37 -1.11 5.55 2.43 -1.82 -2.82 114.38 116.24 3i8i h ARG 10 Ca 0.06 0.03 0.32 0.00 -0.81 0.00 0.00 59.98 59.57 3i8i h ARG 10 Cb 0.14 0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 29.66 3i8i h ARG 10 CO -0.33 -0.20 0.70 -0.09 -1.51 0.00 0.00 179.97 178.54 3i8i h ARG 11 N -0.44 0.30 0.04 0.20 2.43 -1.79 -1.75 114.38 113.38 3i8i h ARG 11 Ca -0.04 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3i8i h ARG 11 Cb 0.33 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3i8i h ARG 11 CO 0.06 0.20 -0.02 0.00 -1.51 0.00 0.00 179.97 178.70 3i8i h ARG 12 N 0.31 -0.05 -0.92 0.20 3.08 -1.31 -2.58 114.38 113.10 3i8i h ARG 12 Ca 0.68 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.80 3i8i h ARG 12 Cb 1.82 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.82 3i8i h ARG 12 CO -0.39 0.36 0.60 0.87 -1.07 0.00 0.00 179.97 180.34 3i8i h LYS 13 N -0.48 1.01 -0.02 0.04 1.57 -1.23 0.27 116.57 117.73 3i8i h LYS 13 Ca -0.01 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3i8i h LYS 13 Cb 0.44 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3i8i h LYS 13 CO 0.01 0.67 -0.17 0.45 -0.57 0.00 0.00 179.45 179.83 3i8i h HIS 14 N 1.04 0.03 0.00 -1.35 3.86 -1.30 -2.72 115.15 114.71 3i8i h HIS 14 Ca 0.40 -0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.48 3i8i h HIS 14 Cb 0.21 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 3i8i h HIS 14 CO -0.00 0.21 -0.72 0.87 0.86 0.00 0.00 177.93 179.14 3i8i h LYS 15 N 0.03 0.00 0.15 2.45 1.57 -0.55 -2.55 116.57 117.66 3i8i h LYS 15 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3i8i h LYS 15 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3i8i h LYS 15 CO 0.02 0.53 -0.07 0.87 -0.57 0.00 0.00 179.45 180.24 3i8i h LYS 16 N 0.00 -0.19 0.25 3.15 1.57 -1.05 -1.58 116.57 118.72 3i8i h LYS 16 Ca -0.03 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3i8i h LYS 16 Cb 1.47 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.83 3i8i h LYS 16 CO 0.07 -0.09 -0.13 0.82 -0.57 0.00 0.00 179.45 179.55 3i8i h ILE 17 N -0.24 0.73 -0.57 1.86 1.08 -1.58 -1.81 117.51 116.98 3i8i h ILE 17 Ca -0.02 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.62 3i8i h ILE 17 Cb 0.18 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 3i8i h ILE 17 CO 0.03 0.00 0.43 -0.07 -0.69 0.00 0.00 178.15 177.85 3i8i h LEU 18 N -0.35 0.00 0.23 1.44 3.38 -1.36 0.22 115.31 118.87 3i8i h LEU 18 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3i8i h LEU 18 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3i8i h LEU 18 CO 0.05 0.00 -0.11 0.11 0.09 0.00 0.00 178.44 178.58 3i8i h LYS 19 N 0.00 -0.30 -0.87 1.13 1.57 -0.46 -2.69 116.57 114.96 3i8i h LYS 19 Ca 0.27 0.02 0.25 0.00 -1.87 0.00 0.00 60.65 59.32 3i8i h LYS 19 Cb 1.13 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.47 3i8i h LYS 19 CO -0.00 -0.20 0.97 -0.07 -0.57 0.00 0.00 179.45 179.58 3i8i h LEU 20 N -0.38 0.00 -3.18 2.94 3.38 -0.69 1.03 115.31 118.41 3i8i h LEU 20 Ca -0.03 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 3i8i h LEU 20 Cb 0.24 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 3i8i h LEU 20 CO 0.05 0.00 0.17 0.00 0.09 0.00 0.00 178.44 178.75 3i8i n ALA 21 N -2.31 4.04 -1.78 1.53 0.00 0.66 -4.95 120.51 117.70 3i8i n ALA 21 Ca 0.19 -1.75 -0.37 0.00 0.00 0.00 0.00 53.44 51.51 3i8i n ALA 21 Cb 1.24 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 3i8i n ALA 21 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3i8i s LYS 22 N -2.44 4.16 0.00 0.00 2.47 0.36 -3.62 119.74 120.67 3i8i s LYS 22 Ca 0.43 1.61 0.00 0.00 -1.56 0.00 0.00 55.97 56.45 3i8i s LYS 22 Cb 0.34 -2.61 0.00 0.00 -1.46 0.00 0.00 37.83 34.10 3i8i s LYS 22 CO 0.11 -0.17 0.00 0.41 0.16 0.00 0.00 175.35 175.87 3i8i n GLY 23 N 0.48 2.51 3.13 5.54 0.00 -1.26 -5.03 105.19 110.55 3i8i n GLY 23 Ca 0.04 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 3i8i n GLY 23 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i8i n TYR 24 N 0.00 -4.06 -2.39 1.61 0.53 -1.24 -4.87 117.16 106.75 3i8i n TYR 24 Ca 0.00 0.13 -0.40 0.00 -1.02 0.00 0.00 57.90 56.61 3i8i n TYR 24 Cb 0.00 -1.56 -0.04 0.00 -1.03 0.00 0.00 39.34 36.72 3i8i n TYR 24 CO 0.00 0.00 0.00 -0.46 -1.02 0.00 0.00 176.86 175.38 3i8i s TRP 25 N -2.02 3.44 0.00 -0.72 -0.00 -1.26 -4.10 118.94 114.27 3i8i s TRP 25 Ca 0.47 1.63 0.00 0.00 -0.00 0.00 0.00 56.10 58.20 3i8i s TRP 25 Cb -0.27 -3.38 0.00 0.00 -0.00 0.00 0.00 33.47 29.82 3i8i s TRP 25 CO 0.76 -0.88 0.00 0.41 -0.00 0.00 0.00 176.95 177.24 3i8i n GLY 26 N 1.07 2.03 0.26 5.86 0.00 -1.26 0.27 105.19 113.42 3i8i n GLY 26 Ca -0.01 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.30 3i8i n GLY 26 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i8i h LEU 27 N 0.00 0.00 -1.21 0.99 3.38 -1.97 -2.24 115.31 114.26 3i8i h LEU 27 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i8i h LEU 27 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i8i h LEU 27 CO 0.00 0.06 0.27 0.03 0.09 0.00 0.00 178.44 178.89 3i8i h ARG 28 N 0.00 0.00 0.00 1.13 3.08 -0.47 0.18 114.38 118.30 3i8i h ARG 28 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i8i h ARG 28 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3i8i h ARG 28 CO 0.01 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.78 3i8i n SER 29 N -2.27 0.38 -0.08 7.04 3.41 -0.86 -3.42 113.62 117.82 3i8i n SER 29 Ca -0.01 -0.68 -0.09 0.00 -0.26 0.00 0.00 58.87 57.83 3i8i n SER 29 Cb 0.29 0.57 -0.11 0.00 -0.26 0.00 0.00 64.21 64.70 3i8i n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i8i n LYS 30 N -0.57 1.33 -3.58 4.33 4.76 0.42 -4.85 118.16 120.00 3i8i n LYS 30 Ca 0.00 0.02 -0.38 0.00 -2.87 0.00 0.00 58.31 55.08 3i8i n LYS 30 Cb 0.01 -1.38 -0.11 0.00 -1.84 0.00 0.00 35.03 31.71 3i8i n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3i8i s SER 31 N -5.06 6.07 0.35 4.39 0.15 0.08 -4.97 113.70 114.71 3i8i s SER 31 Ca -0.11 0.05 0.15 0.00 0.70 0.00 0.00 55.95 56.74 3i8i s SER 31 Cb 0.05 -2.13 1.13 0.00 -1.71 0.00 0.00 66.02 63.36 3i8i s SER 31 CO 0.57 -0.05 1.64 0.15 1.20 0.00 0.00 173.24 176.76 3i8i h PHE 32 N 8.21 0.88 -0.04 3.44 3.57 -1.90 0.34 116.94 131.45 3i8i h PHE 32 Ca -0.35 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.06 3i8i h PHE 32 Cb 1.18 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 39.71 3i8i h PHE 32 CO 0.75 -0.25 -0.48 0.00 -2.23 0.00 0.00 178.31 176.10 3i8i h ARG 33 N 0.25 0.39 0.00 1.11 3.08 -1.93 0.73 114.38 118.00 3i8i h ARG 33 Ca 0.75 -0.37 -0.07 0.00 0.07 0.00 0.00 59.98 60.36 3i8i h ARG 33 Cb 1.78 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.91 3i8i h ARG 33 CO -0.65 1.03 -0.36 0.87 -1.07 0.00 0.00 179.97 179.80 3i8i h LYS 34 N -0.12 0.00 0.07 0.04 1.79 -1.43 0.45 116.57 117.37 3i8i h LYS 34 Ca -0.05 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3i8i h LYS 34 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 3i8i h LYS 34 CO 0.10 0.36 -0.03 0.00 -1.08 0.00 0.00 179.45 178.79 3i8i h ALA 35 N 1.64 -0.09 -0.33 3.86 0.00 -0.36 -1.14 119.26 122.84 3i8i h ALA 35 Ca -0.00 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.68 3i8i h ALA 35 Cb 0.71 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 3i8i h ALA 35 CO 0.05 -0.24 0.05 -0.09 0.00 0.00 0.00 179.25 179.02 3i8i h ARG 36 N -0.73 0.15 -0.02 0.00 2.43 -0.67 0.44 114.38 115.98 3i8i h ARG 36 Ca -0.01 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3i8i h ARG 36 Cb 0.59 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.05 3i8i h ARG 36 CO 0.02 0.10 -0.49 0.93 -1.51 0.00 0.00 179.97 179.02 3i8i h GLU 37 N 0.15 -0.59 0.16 0.20 5.08 -0.95 -1.56 114.58 117.08 3i8i h GLU 37 Ca 0.16 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.57 3i8i h GLU 37 Cb 0.19 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3i8i h GLU 37 CO -0.22 -0.40 -0.37 1.15 -1.00 0.00 0.00 179.01 178.17 3i8i h THR 38 N -0.62 0.23 -0.85 1.13 2.02 -0.62 -2.94 112.91 111.27 3i8i h THR 38 Ca 0.03 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.37 3i8i h THR 38 Cb 0.69 0.23 -0.15 0.00 -1.74 0.00 0.00 68.15 67.18 3i8i h THR 38 CO -0.36 0.00 -0.28 -0.07 0.37 0.00 0.00 175.52 175.18 3i8i h LEU 39 N -0.63 -1.03 -0.72 2.58 3.38 0.37 0.19 115.31 119.45 3i8i h LEU 39 Ca 0.02 0.27 0.14 0.00 0.09 0.00 0.00 57.88 58.39 3i8i h LEU 39 Cb 0.64 0.60 -0.14 0.00 0.09 0.00 0.00 40.66 41.86 3i8i h LEU 39 CO -0.19 -0.29 -0.23 -0.26 0.09 0.00 0.00 178.44 177.56 3i8i h PHE 40 N -0.03 -0.54 0.19 1.13 0.05 -1.11 0.25 116.94 116.89 3i8i h PHE 40 Ca 0.37 0.07 -0.00 0.00 3.82 0.00 0.00 57.97 62.22 3i8i h PHE 40 Cb 0.61 0.35 -0.00 0.00 2.00 0.00 0.00 35.95 38.90 3i8i h PHE 40 CO -0.72 -0.34 -0.12 0.00 -0.18 0.00 0.00 178.31 176.95 3i8i h ALA 41 N 1.57 -0.30 -0.71 2.45 0.00 -0.73 -2.00 119.26 119.55 3i8i h ALA 41 Ca 0.33 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.33 3i8i h ALA 41 Cb 0.55 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.39 3i8i h ALA 41 CO -0.76 -0.68 0.21 0.00 0.00 0.00 0.00 179.25 178.02 3i8i h ALA 42 N 0.49 0.92 -0.30 0.00 0.00 0.15 -0.08 119.26 120.43 3i8i h ALA 42 Ca -0.02 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3i8i h ALA 42 Cb 0.26 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3i8i h ALA 42 CO 0.02 -0.29 0.19 0.78 0.00 0.00 0.00 179.25 179.95 3i8i h GLY 43 N 0.32 0.42 2.00 0.00 0.00 -0.05 -1.29 103.07 104.48 3i8i h GLY 43 Ca 0.39 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.47 3i8i h GLY 43 CO -0.45 0.14 -0.47 3.43 0.00 0.00 0.00 176.54 179.19 3i8i h ASN 44 N 0.39 0.00 0.24 0.19 -0.26 -0.64 -0.83 115.58 114.66 3i8i h ASN 44 Ca 0.11 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.84 3i8i h ASN 44 Cb -0.03 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.23 3i8i h ASN 44 CO -0.04 0.47 -0.11 1.88 -1.06 0.00 0.00 177.43 178.57 3i8i h TYR 45 N 0.00 -0.30 -0.89 1.19 0.99 -0.76 -0.45 116.97 116.75 3i8i h TYR 45 Ca -0.00 -0.01 0.12 0.00 2.00 0.00 0.00 58.73 60.83 3i8i h TYR 45 Cb 0.97 0.10 -0.08 0.00 1.00 0.00 0.00 36.73 38.72 3i8i h TYR 45 CO 0.00 0.04 0.51 0.00 -0.00 0.00 0.00 178.16 178.71 3i8i h ALA 46 N -0.03 1.31 0.89 3.88 0.00 -1.11 1.65 119.26 125.84 3i8i h ALA 46 Ca -0.03 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3i8i h ALA 46 Cb 0.47 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.14 3i8i h ALA 46 CO 0.05 0.09 -0.44 -0.92 0.00 0.00 0.00 179.25 178.03 3i8i h TYR 47 N 0.81 -1.14 -0.32 0.00 3.20 -0.95 0.83 116.97 119.40 3i8i h TYR 47 Ca 0.45 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.35 3i8i h TYR 47 Cb 0.48 0.38 -0.05 0.00 1.54 0.00 0.00 36.73 39.08 3i8i h TYR 47 CO -0.05 -0.70 -0.00 0.00 -1.64 0.00 0.00 178.16 175.77 3i8i h ALA 48 N -1.09 0.29 0.73 1.82 0.00 -0.04 -2.86 119.26 118.10 3i8i h ALA 48 Ca -0.12 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3i8i h ALA 48 Cb 0.93 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3i8i h ALA 48 CO 0.19 -0.41 -0.44 0.45 0.00 0.00 0.00 179.25 179.04 3i8i h HIS 49 N 0.09 -1.18 -0.66 0.00 3.86 0.25 0.22 115.15 117.73 3i8i h HIS 49 Ca 0.16 -0.01 0.15 0.00 -1.16 0.00 0.00 60.37 59.50 3i8i h HIS 49 Cb 0.21 0.42 -0.12 0.00 1.06 0.00 0.00 27.41 28.98 3i8i h HIS 49 CO -0.24 -0.66 -0.11 0.54 0.86 0.00 0.00 177.93 178.33 3i8i n ARG 50 N -5.23 -0.06 0.33 2.45 1.74 0.28 0.15 116.66 116.33 3i8i n ARG 50 Ca -0.13 1.01 -0.16 0.00 -0.77 0.00 0.00 57.85 57.80 3i8i n ARG 50 Cb 0.45 -1.54 -0.08 0.00 -1.02 0.00 0.00 32.46 30.28 3i8i n ARG 50 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3i8i h LYS 51 N 0.00 -0.83 -1.01 5.56 1.57 -1.19 -2.92 116.57 117.74 3i8i h LYS 51 Ca 0.34 0.06 0.27 0.00 -1.87 0.00 0.00 60.65 59.45 3i8i h LYS 51 Cb 0.59 0.19 -0.06 0.00 0.08 0.00 0.00 32.23 33.03 3i8i h LYS 51 CO -0.66 -0.51 0.70 -0.09 -0.57 0.00 0.00 179.45 178.32 3i8i h ARG 52 N -1.08 0.16 -0.97 3.15 2.43 0.47 -0.61 114.38 117.93 3i8i h ARG 52 Ca -0.09 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3i8i h ARG 52 Cb 0.70 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.17 3i8i h ARG 52 CO 0.14 0.10 0.64 -0.09 -1.51 0.00 0.00 179.97 179.26 3i8i h ARG 53 N 0.16 1.23 0.00 0.20 2.43 0.93 -0.77 114.38 118.57 3i8i h ARG 53 Ca 0.51 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 3i8i h ARG 53 Cb 1.72 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 30.99 3i8i h ARG 53 CO -0.11 0.82 0.00 1.63 -1.51 0.00 0.00 179.97 180.80 3i8i n LYS 54 N -4.41 0.01 -0.01 0.20 5.02 -0.23 -2.19 118.16 116.54 3i8i n LYS 54 Ca 0.12 0.36 0.01 0.00 -2.02 0.00 0.00 58.31 56.78 3i8i n LYS 54 Cb 0.05 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.51 3i8i n LYS 54 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3i8i n ARG 55 N -1.48 1.27 -0.03 1.97 1.85 -0.52 -4.05 116.66 115.68 3i8i n ARG 55 Ca 0.02 -0.04 -0.07 0.00 -1.00 0.00 0.00 57.85 56.76 3i8i n ARG 55 Cb 0.08 -1.17 0.11 0.00 -1.05 0.00 0.00 32.46 30.43 3i8i n ARG 55 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 3i8i h ASP 56 N 0.00 0.65 0.13 2.89 3.32 -0.84 -2.11 116.42 120.46 3i8i h ASP 56 Ca -0.07 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 3i8i h ASP 56 Cb 0.75 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3i8i h ASP 56 CO 0.00 0.94 -0.06 -0.26 -1.72 0.00 0.00 179.24 178.14 3i8i h PHE 57 N 0.52 -0.17 -0.73 4.55 -1.00 -1.67 -2.81 116.94 115.64 3i8i h PHE 57 Ca 0.06 -0.00 0.15 0.00 2.81 0.00 0.00 57.97 60.98 3i8i h PHE 57 Cb 0.84 0.05 -0.14 0.00 3.61 0.00 0.00 35.95 40.32 3i8i h PHE 57 CO 0.04 0.29 -0.18 -0.09 -1.61 0.00 0.00 178.31 176.76 3i8i h ARG 58 N -0.74 0.00 -0.62 1.51 2.43 -1.69 -0.45 114.38 114.82 3i8i h ARG 58 Ca -0.02 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3i8i h ARG 58 Cb 0.53 -0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.98 3i8i h ARG 58 CO 0.03 0.00 -0.57 0.00 -1.51 0.00 0.00 179.97 177.92 3i8i h ARG 59 N 0.00 -0.25 -0.32 0.20 3.08 -1.30 -0.84 114.38 114.96 3i8i h ARG 59 Ca 0.35 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.47 3i8i h ARG 59 Cb 0.53 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.56 3i8i h ARG 59 CO -0.74 -0.16 -0.45 1.25 -1.07 0.00 0.00 179.97 178.80 3i8i h LEU 60 N -0.26 -1.46 -0.53 3.04 6.46 -0.84 -0.67 115.31 121.06 3i8i h LEU 60 Ca 0.10 0.21 0.09 0.00 -0.12 0.00 0.00 57.88 58.17 3i8i h LEU 60 Cb 0.53 0.62 -0.11 0.00 -0.73 0.00 0.00 40.66 40.97 3i8i h LEU 60 CO -0.72 -0.39 -0.35 -0.50 -0.62 0.00 0.00 178.44 175.85 3i8i h TRP 61 N -0.39 -0.99 0.12 1.25 6.55 -0.53 0.27 115.95 122.22 3i8i h TRP 61 Ca 0.11 0.07 0.02 0.00 0.95 0.00 0.00 58.89 60.04 3i8i h TRP 61 Cb 0.60 0.51 -0.04 0.00 -0.86 0.00 0.00 29.16 29.38 3i8i h TRP 61 CO -0.60 -0.39 -0.31 0.82 -1.05 0.00 0.00 178.44 176.91 3i8i h ILE 62 N -0.21 0.34 -0.62 1.49 2.04 -0.58 0.61 117.51 120.59 3i8i h ILE 62 Ca 0.20 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.18 3i8i h ILE 62 Cb 0.55 0.34 -0.12 0.00 -0.74 0.00 0.00 36.82 36.85 3i8i h ILE 62 CO -0.64 0.00 -0.23 0.58 0.00 0.00 0.00 178.15 177.86 3i8i h VAL 63 N -0.53 0.28 0.07 1.67 2.07 0.41 0.30 116.25 120.51 3i8i h VAL 63 Ca 0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.57 3i8i h VAL 63 Cb 0.56 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3i8i h VAL 63 CO -0.18 0.00 -0.15 0.03 0.02 0.00 0.00 177.57 177.29 3i8i h ARG 64 N -0.07 -0.28 0.39 1.57 3.08 0.39 -1.45 114.38 118.01 3i8i h ARG 64 Ca 0.28 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 3i8i h ARG 64 Cb 0.51 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 3i8i h ARG 64 CO -0.67 -0.19 -0.35 0.82 -1.07 0.00 0.00 179.97 178.52 3i8i h ILE 65 N -0.29 0.29 -1.00 2.04 2.04 0.17 -0.55 117.51 120.20 3i8i h ILE 65 Ca 0.03 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.15 3i8i h ILE 65 Cb 0.31 0.29 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 3i8i h ILE 65 CO -0.09 0.00 0.68 -1.13 0.00 0.00 0.00 178.15 177.60 3i8i h ASN 66 N -0.75 0.26 0.76 1.72 -1.24 -0.39 0.55 115.58 116.49 3i8i h ASN 66 Ca -0.03 0.04 -0.18 0.00 0.71 0.00 0.00 56.30 56.84 3i8i h ASN 66 Cb 0.66 -0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.69 3i8i h ASN 66 CO -0.04 0.07 -0.84 0.00 -1.29 0.00 0.00 177.43 175.34 3i8i h ALA 67 N 1.57 0.61 0.03 1.57 0.00 -0.42 -3.08 119.26 119.54 3i8i h ALA 67 Ca 0.52 -0.74 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3i8i h ALA 67 Cb 1.60 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3i8i h ALA 67 CO -0.15 1.00 -0.02 0.00 0.00 0.00 0.00 179.25 180.08 3i8i h ALA 68 N 1.12 -0.42 0.00 0.00 0.00 0.16 -3.28 119.26 116.85 3i8i h ALA 68 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i8i h ALA 68 Cb 1.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3i8i h ALA 68 CO 0.11 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 178.95 3i8i n ARG 70 N -1.03 0.21 0.07 0.00 0.63 -1.17 -2.21 116.66 113.17 3i8i n ARG 70 Ca 0.05 0.11 0.13 0.00 -0.92 0.00 0.00 57.85 57.21 3i8i n ARG 70 Cb 0.03 -1.68 0.35 0.00 0.45 0.00 0.00 32.46 31.61 3i8i n ARG 70 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3i8i n GLN 71 N -2.00 0.23 -1.65 -0.14 6.02 0.19 -3.10 117.38 116.92 3i8i n GLN 71 Ca 0.05 0.14 -0.27 0.00 -0.01 0.00 0.00 57.00 56.91 3i8i n GLN 71 Cb 0.41 -1.72 0.06 0.00 1.02 0.00 0.00 30.24 30.01 3i8i n GLN 71 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3i8i n HIS 72 N -2.09 2.80 -3.82 1.08 8.25 -1.10 -4.95 115.22 115.40 3i8i n HIS 72 Ca 0.05 -2.48 -0.24 0.00 -0.26 0.00 0.00 57.72 54.79 3i8i n HIS 72 Cb 0.42 -0.78 0.01 0.00 1.12 0.00 0.00 29.99 30.76 3i8i n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i8i n GLY 73 N -0.83 -0.29 3.83 -1.41 0.00 -1.18 -4.99 105.19 100.32 3i8i n GLY 73 Ca 0.51 0.14 -0.06 0.00 0.00 0.00 0.00 46.02 46.60 3i8i n GLY 73 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i8i s LEU 74 N -6.85 -0.23 0.55 0.99 0.05 -0.94 -5.01 118.68 107.25 3i8i s LEU 74 Ca 0.09 -0.57 -0.07 0.00 0.05 0.00 0.00 54.13 53.64 3i8i s LEU 74 Cb -0.05 2.58 -0.02 0.00 -2.05 0.00 0.00 46.19 46.66 3i8i s LEU 74 CO 0.84 -1.24 0.88 0.20 -0.55 0.00 0.00 176.35 176.48 3i8i s ASN 75 N -2.93 5.96 0.12 1.48 0.01 -1.26 -3.15 114.94 115.16 3i8i s ASN 75 Ca 0.11 0.92 0.01 0.00 -0.71 0.00 0.00 52.86 53.20 3i8i s ASN 75 Cb -0.05 -2.05 -0.18 0.00 0.41 0.00 0.00 41.25 39.38 3i8i s ASN 75 CO 0.06 -0.85 1.25 0.22 -1.51 0.00 0.00 177.10 176.28 3i8i h TYR 76 N -0.05 0.29 0.00 2.20 3.20 -1.92 0.16 116.97 120.85 3i8i h TYR 76 Ca -0.46 -0.19 -0.04 0.00 3.14 0.00 0.00 58.73 61.17 3i8i h TYR 76 Cb 1.23 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 3i8i h TYR 76 CO 0.55 1.10 -0.21 0.66 -1.64 0.00 0.00 178.16 178.62 3i8i h SER 77 N 0.06 0.00 0.04 -2.11 4.64 -1.99 -1.61 113.55 112.59 3i8i h SER 77 Ca -0.07 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.90 3i8i h SER 77 Cb 1.77 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.81 3i8i h SER 77 CO 0.16 0.21 -2.00 0.35 -0.87 0.00 0.00 176.83 174.69 3i8i n THR 78 N -3.88 1.60 -0.31 2.95 -2.24 -1.19 -3.46 114.28 107.75 3i8i n THR 78 Ca -0.02 -0.39 -0.10 0.00 -2.27 0.00 0.00 64.05 61.27 3i8i n THR 78 Cb 0.30 -1.80 -0.09 0.00 -2.10 0.00 0.00 70.33 66.65 3i8i n THR 78 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3i8i h PHE 79 N -0.50 -1.61 -0.51 4.78 3.57 -0.90 0.27 116.94 122.04 3i8i h PHE 79 Ca -0.50 0.10 0.09 0.00 3.53 0.00 0.00 57.97 61.19 3i8i h PHE 79 Cb 1.70 0.80 -0.10 0.00 2.79 0.00 0.00 35.95 41.14 3i8i h PHE 79 CO 0.04 -0.35 -0.40 0.82 -2.23 0.00 0.00 178.31 176.19 3i8i h ILE 80 N -0.08 0.13 -0.98 1.41 1.08 -1.47 0.51 117.51 118.10 3i8i h ILE 80 Ca 0.12 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.78 3i8i h ILE 80 Cb 0.40 0.13 -0.10 0.00 -3.07 0.00 0.00 36.82 34.18 3i8i h ILE 80 CO -0.75 0.00 0.61 -0.74 -0.69 0.00 0.00 178.15 176.59 3i8i h HIS 81 N -0.25 0.93 0.60 1.37 2.76 -0.63 0.56 115.15 120.50 3i8i h HIS 81 Ca 0.18 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.35 3i8i h HIS 81 Cb 0.56 -0.28 0.01 0.00 1.55 0.00 0.00 27.41 29.25 3i8i h HIS 81 CO -0.64 0.22 -0.29 0.78 -1.30 0.00 0.00 177.93 176.70 3i8i h GLY 82 N 0.68 -0.84 -0.71 5.26 0.00 0.14 -0.15 103.07 107.45 3i8i h GLY 82 Ca 0.55 0.31 0.36 0.00 0.00 0.00 0.00 47.33 48.55 3i8i h GLY 82 CO -0.32 -0.31 0.72 1.41 0.00 0.00 0.00 176.54 178.04 3i8i h LEU 83 N -0.94 0.37 0.76 3.11 4.07 -0.49 1.78 115.31 123.97 3i8i h LEU 83 Ca -0.08 0.14 -0.04 0.00 0.08 0.00 0.00 57.88 57.98 3i8i h LEU 83 Cb 0.62 0.11 0.01 0.00 1.08 0.00 0.00 40.66 42.47 3i8i h LEU 83 CO 0.14 -0.11 -0.36 0.50 -1.08 0.00 0.00 178.44 177.52 3i8i h LYS 84 N 0.22 -0.98 -0.68 1.13 3.64 0.50 0.28 116.57 120.68 3i8i h LYS 84 Ca 0.74 0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 60.14 3i8i h LYS 84 Cb 2.06 0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 34.07 3i8i h LYS 84 CO -0.45 -0.65 0.21 0.87 -2.27 0.00 0.00 179.45 177.16 3i8i h LYS 85 N -1.11 1.05 -1.00 1.90 1.57 0.12 -1.73 116.57 117.36 3i8i h LYS 85 Ca -0.10 -0.21 0.14 0.00 -1.87 0.00 0.00 60.65 58.60 3i8i h LYS 85 Cb 0.78 -0.16 -0.09 0.00 0.08 0.00 0.00 32.23 32.84 3i8i h LYS 85 CO 0.17 0.89 0.62 0.00 -0.57 0.00 0.00 179.45 180.56 3i8i h ALA 86 N 1.22 1.53 0.00 3.86 0.00 0.26 -3.46 119.26 122.67 3i8i h ALA 86 Ca 0.22 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3i8i h ALA 86 Cb 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3i8i h ALA 86 CO -0.01 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.81 3i8i n GLY 87 N -1.34 1.41 3.71 0.00 0.00 0.05 -5.04 105.19 103.98 3i8i n GLY 87 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3i8i n GLY 87 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i8i s ILE 88 N -2.17 3.28 -1.07 -0.61 -0.00 -0.98 -4.84 121.20 114.81 3i8i s ILE 88 Ca 0.00 0.92 0.21 0.00 -0.00 0.00 0.00 60.65 61.78 3i8i s ILE 88 Cb 0.00 -3.59 -0.21 0.00 -0.00 0.00 0.00 42.46 38.66 3i8i s ILE 88 CO 0.00 0.07 0.91 1.21 -0.00 0.00 0.00 174.94 177.13 3i8i n GLU 89 N 3.98 0.12 0.00 0.37 2.13 -1.26 -4.62 120.64 121.36 3i8i n GLU 89 Ca 0.12 -0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.86 3i8i n GLU 89 Cb 0.42 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.64 3i8i n GLU 89 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3i8i n VAL 90 N -1.39 0.00 0.00 6.31 0.31 -1.26 -3.37 118.33 118.93 3i8i n VAL 90 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3i8i n VAL 90 Cb 0.34 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 3i8i n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3i8i n ASP 91 N 0.00 0.00 -2.67 4.52 4.64 -1.26 -4.53 116.55 117.25 3i8i n ASP 91 Ca 0.00 0.00 -0.02 0.00 -1.38 0.00 0.00 54.79 53.39 3i8i n ASP 91 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3i8i n ASP 91 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 3i8i n ARG 92 N 0.00 -0.17 0.00 -0.67 0.00 -1.22 0.15 116.66 114.75 3i8i n ARG 92 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i8i n ARG 92 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 32.46 32.40 3i8i n ARG 92 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3i8i n LYS 93 N -0.67 0.00 -0.27 -0.14 5.02 -1.26 -2.76 118.16 118.08 3i8i n LYS 93 Ca -0.02 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.34 3i8i n LYS 93 Cb 0.04 0.00 0.29 0.00 -0.02 0.00 0.00 35.03 35.34 3i8i n LYS 93 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 3i8i h ASN 94 N 0.00 0.80 -0.66 4.39 -1.24 -1.90 -2.35 115.58 114.62 3i8i h ASN 94 Ca 0.00 0.02 -0.34 0.00 0.71 0.00 0.00 56.30 56.68 3i8i h ASN 94 Cb 0.00 -0.15 -0.20 0.00 0.73 0.00 0.00 38.32 38.69 3i8i h ASN 94 CO 0.00 0.49 0.44 0.18 -1.29 0.00 0.00 177.43 177.25 3i8i n LEU 95 N -4.51 5.50 -0.77 0.34 4.77 0.39 -3.29 117.00 119.43 3i8i n LEU 95 Ca 0.14 -2.91 0.11 0.00 -0.03 0.00 0.00 56.01 53.32 3i8i n LEU 95 Cb 0.27 -0.73 0.07 0.00 -2.33 0.00 0.00 43.42 40.70 3i8i n LEU 95 CO 0.32 0.87 0.52 0.00 -1.33 0.00 0.00 177.39 177.77 3i8i n ALA 96 N -0.57 2.71 0.71 -1.18 0.00 -0.89 -3.26 120.51 118.03 3i8i n ALA 96 Ca 0.40 -0.66 0.08 0.00 0.00 0.00 0.00 53.44 53.25 3i8i n ALA 96 Cb 1.26 -0.73 0.38 0.00 0.00 0.00 0.00 19.45 20.36 3i8i n ALA 96 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i8i n ASP 97 N 0.90 0.00 0.09 0.00 -0.08 -1.21 0.82 116.55 117.08 3i8i n ASP 97 Ca 0.12 0.10 -0.15 0.00 -1.51 0.00 0.00 54.79 53.34 3i8i n ASP 97 Cb 0.52 -0.30 -0.10 0.00 2.34 0.00 0.00 41.12 43.57 3i8i n ASP 97 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3i8i h LEU 98 N 0.00 0.48 0.00 -2.67 6.46 -1.83 -2.72 115.31 115.03 3i8i h LEU 98 Ca 0.00 -0.46 0.00 0.00 -0.12 0.00 0.00 57.88 57.30 3i8i h LEU 98 Cb 0.15 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 3i8i h LEU 98 CO 0.00 1.32 0.00 0.00 -0.62 0.00 0.00 178.44 179.14 3i8i n ALA 99 N -2.54 1.95 -0.06 1.25 0.00 0.24 0.23 120.51 121.57 3i8i n ALA 99 Ca -0.08 -0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.21 3i8i n ALA 99 Cb 0.96 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 19.14 3i8i n ALA 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i8i n VAL 100 N -1.02 0.74 -0.05 0.00 0.31 -1.13 -4.45 118.33 112.74 3i8i n VAL 100 Ca 0.09 -0.35 -0.01 0.00 -0.01 0.00 0.00 64.34 64.06 3i8i n VAL 100 Cb 0.05 -0.87 -0.15 0.00 -0.91 0.00 0.00 33.84 31.96 3i8i n VAL 100 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i8i n ARG 101 N -2.68 0.67 -3.19 5.55 1.74 -0.69 -4.71 116.66 113.35 3i8i n ARG 101 Ca -0.21 -0.03 -0.21 0.00 -0.77 0.00 0.00 57.85 56.63 3i8i n ARG 101 Cb 0.79 -1.57 -0.05 0.00 -1.02 0.00 0.00 32.46 30.60 3i8i n ARG 101 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3i8i n GLU 102 N -2.61 1.00 -0.31 5.56 -0.58 0.63 -4.96 120.64 119.36 3i8i n GLU 102 Ca -0.19 -3.41 0.21 0.00 -0.42 0.00 0.00 57.16 53.34 3i8i n GLU 102 Cb 0.90 -1.53 0.49 0.00 -0.57 0.00 0.00 31.44 30.73 3i8i n GLU 102 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3i8i h PRO 103 N 3.49 0.43 -0.80 3.49 0.13 -1.77 -0.85 132.00 136.11 3i8i h PRO 103 Ca 0.09 -0.03 0.16 0.00 -0.87 0.00 0.00 66.00 65.36 3i8i h PRO 103 Cb 0.90 -0.10 -0.10 0.00 0.13 0.00 0.00 31.00 31.83 3i8i h PRO 103 CO 0.51 0.28 0.31 1.96 -0.23 0.00 0.00 178.00 180.83 3i8i h GLN 104 N 0.44 0.41 0.06 0.86 4.20 -1.93 0.34 115.11 119.49 3i8i h GLN 104 Ca 0.57 -0.02 -0.25 0.00 0.06 0.00 0.00 58.65 59.01 3i8i h GLN 104 Cb 1.37 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.06 3i8i h GLN 104 CO -0.28 0.27 -1.07 0.28 -0.67 0.00 0.00 178.83 177.36 3i8i h VAL 105 N 0.42 1.44 0.18 -0.54 2.07 -1.52 -2.98 116.25 115.33 3i8i h VAL 105 Ca 0.45 -2.71 -0.01 0.00 0.82 0.00 0.00 66.70 65.26 3i8i h VAL 105 Cb 0.75 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 3i8i h VAL 105 CO -0.45 0.80 -0.09 0.15 0.02 0.00 0.00 177.57 178.00 3i8i h PHE 106 N 0.16 -0.23 -0.41 1.57 3.57 -0.95 -0.66 116.94 119.99 3i8i h PHE 106 Ca -0.10 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.47 3i8i h PHE 106 Cb 1.74 0.08 -0.09 0.00 2.79 0.00 0.00 35.95 40.47 3i8i h PHE 106 CO 0.06 -0.03 -0.31 0.00 -2.23 0.00 0.00 178.31 175.80 3i8i h ALA 107 N 0.39 -0.14 -0.24 2.41 0.00 -0.45 0.60 119.26 121.83 3i8i h ALA 107 Ca -0.03 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3i8i h ALA 107 Cb 0.31 0.68 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 3i8i h ALA 107 CO 0.04 -0.70 -0.15 1.49 0.00 0.00 0.00 179.25 179.93 3i8i h GLU 108 N -0.24 -0.12 -0.58 0.00 4.22 -1.39 0.22 114.58 116.69 3i8i h GLU 108 Ca 0.18 0.01 0.12 0.00 0.08 0.00 0.00 59.36 59.75 3i8i h GLU 108 Cb 0.53 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.71 3i8i h GLU 108 CO -0.54 -0.08 -0.01 -0.07 -2.18 0.00 0.00 179.01 176.13 3i8i h LEU 109 N -0.13 -0.27 -0.63 1.64 3.38 0.85 0.47 115.31 120.62 3i8i h LEU 109 Ca 0.13 0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.38 3i8i h LEU 109 Cb 0.33 0.26 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 3i8i h LEU 109 CO -0.32 -0.11 0.05 0.58 0.09 0.00 0.00 178.44 178.73 3i8i h VAL 110 N 0.11 0.52 0.51 1.22 2.07 0.20 0.27 116.25 121.15 3i8i h VAL 110 Ca 0.30 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.74 3i8i h VAL 110 Cb 0.47 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3i8i h VAL 110 CO -0.50 0.03 -0.27 -0.33 0.02 0.00 0.00 177.57 176.52 3i8i h GLU 111 N 0.16 -0.70 -0.90 1.57 3.07 0.97 1.22 114.58 119.97 3i8i h GLU 111 Ca 0.33 0.05 0.25 0.00 -0.50 0.00 0.00 59.36 59.49 3i8i h GLU 111 Cb 0.54 0.16 -0.14 0.00 -0.84 0.00 0.00 28.75 28.47 3i8i h GLU 111 CO -0.51 -0.47 0.30 0.00 -1.40 0.00 0.00 179.01 176.94 3i8i h ARG 112 N -0.73 0.24 0.00 2.33 2.47 0.12 0.51 114.38 119.32 3i8i h ARG 112 Ca -0.07 -0.01 -0.11 0.00 -1.26 0.00 0.00 59.98 58.54 3i8i h ARG 112 Cb 0.57 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.83 3i8i h ARG 112 CO 0.09 0.16 -0.55 0.00 0.56 0.00 0.00 179.97 180.22 3i8i h ALA 113 N 1.79 0.68 -0.47 0.04 0.00 0.22 -3.21 119.26 118.30 3i8i h ALA 113 Ca 0.58 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3i8i h ALA 113 Cb 1.20 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3i8i h ALA 113 CO -0.64 0.62 0.08 0.87 0.00 0.00 0.00 179.25 180.18 3i8i h LYS 114 N 0.00 0.73 -0.26 0.00 1.79 0.65 -2.82 116.57 116.66 3i8i h LYS 114 Ca -0.02 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 3i8i h LYS 114 Cb 1.38 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 3i8i h LYS 114 CO 0.06 0.69 0.00 0.00 -1.08 0.00 0.00 179.45 179.12 3i8i n ALA 115 N -2.47 1.40 -3.39 3.86 0.00 -0.47 -4.64 120.51 114.80 3i8i n ALA 115 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 3i8i n ALA 115 Cb 0.24 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.59 3i8i n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8i s ALA 116 N -1.02 -1.22 0.29 0.00 0.00 -1.06 -5.04 121.76 113.72 3i8i s ALA 116 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.35 3i8i s ALA 116 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.31 3i8i s ALA 116 CO 0.00 -0.23 0.00 1.04 0.00 0.00 0.00 175.76 176.57 3i8i n GLN 117 N 2.83 -3.98 0.00 0.00 1.13 -1.26 -4.59 117.38 111.51 3i8i n GLN 117 Ca -0.13 2.87 0.00 0.00 -1.94 0.00 0.00 57.00 57.80 3i8i n GLN 117 Cb 0.57 -3.30 0.00 0.00 0.11 0.00 0.00 30.24 27.61 3i8i n GLN 117 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03