#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwq s ARG 2 N 0.00 4.19 -0.09 0.00 3.52 -1.26 -5.01 118.95 120.30 2wwq s ARG 2 Ca 0.00 2.45 0.04 0.00 -0.13 0.00 0.00 55.73 58.09 2wwq s ARG 2 Cb 0.00 -3.08 -0.01 0.00 -1.56 0.00 0.00 34.95 30.30 2wwq s ARG 2 CO 0.00 -0.57 -0.20 0.08 -0.81 0.00 0.00 175.30 173.80 2wwq s VAL 3 N 0.30 2.42 -2.13 7.11 1.01 -1.26 -5.01 120.40 122.84 2wwq s VAL 3 Ca 0.64 -0.91 0.18 0.00 0.00 0.00 0.00 61.98 61.89 2wwq s VAL 3 Cb -0.45 -1.94 0.45 0.00 0.00 0.00 0.00 36.38 34.43 2wwq s VAL 3 CO 0.42 0.56 1.41 0.29 0.00 0.00 0.00 175.10 177.78 2wwq n LYS 4 N 3.18 2.13 -3.28 2.72 5.02 -1.26 -4.91 118.16 121.76 2wwq n LYS 4 Ca -0.18 -1.74 -0.17 0.00 -2.02 0.00 0.00 58.31 54.19 2wwq n LYS 4 Cb 0.52 -1.41 0.06 0.00 -0.02 0.00 0.00 35.03 34.18 2wwq n LYS 4 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wwq n ARG 5 N 0.93 -5.81 0.00 1.97 1.74 -1.26 -4.77 116.66 109.46 2wwq n ARG 5 Ca 0.17 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.87 2wwq n ARG 5 Cb 0.44 -5.00 0.00 0.00 -1.02 0.00 0.00 32.46 26.87 2wwq n ARG 5 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wwq n GLY 6 N -1.57 0.91 1.74 -0.13 0.00 -1.26 -2.83 105.19 102.05 2wwq n GLY 6 Ca -0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 46.02 45.35 2wwq n GLY 6 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wwq n VAL 7 N 0.00 2.78 0.44 1.61 0.24 -1.26 -4.81 118.33 117.32 2wwq n VAL 7 Ca 0.00 -1.72 0.12 0.00 -2.04 0.00 0.00 64.34 60.70 2wwq n VAL 7 Cb 0.00 -0.32 0.48 0.00 -1.47 0.00 0.00 33.84 32.52 2wwq n VAL 7 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wwq n ILE 8 N -0.14 0.78 0.00 1.34 3.06 -1.13 -3.33 119.36 119.95 2wwq n ILE 8 Ca 0.35 0.14 0.00 0.00 -2.50 0.00 0.00 62.75 60.74 2wwq n ILE 8 Cb 1.25 -1.06 0.00 0.00 0.54 0.00 0.00 39.64 40.37 2wwq n ILE 8 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2wwq n ALA 9 N -1.78 0.00 0.08 1.51 0.00 -1.26 -2.81 120.51 116.25 2wwq n ALA 9 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2wwq n ALA 9 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 2wwq n ALA 9 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2wwq n ARG 10 N -0.28 0.87 -0.01 0.00 1.85 -1.25 -1.43 116.66 116.41 2wwq n ARG 10 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.84 2wwq n ARG 10 Cb 0.00 -1.07 -0.01 0.00 -1.05 0.00 0.00 32.46 30.34 2wwq n ARG 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wwq n ALA 11 N 1.17 1.97 0.75 2.89 0.00 -1.21 -4.09 120.51 121.99 2wwq n ALA 11 Ca 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.49 2wwq n ALA 11 Cb 0.43 0.34 0.19 0.00 0.00 0.00 0.00 19.45 20.41 2wwq n ALA 11 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2wwq n ARG 12 N -2.27 0.17 0.08 0.00 1.85 -0.80 -3.13 116.66 112.55 2wwq n ARG 12 Ca -0.02 0.04 -0.09 0.00 -1.00 0.00 0.00 57.85 56.78 2wwq n ARG 12 Cb 0.53 -1.60 -0.08 0.00 -1.05 0.00 0.00 32.46 30.26 2wwq n ARG 12 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2wwq h HIS 13 N 0.00 0.19 -0.31 2.89 3.86 -1.46 -3.38 115.15 116.95 2wwq h HIS 13 Ca 0.00 -0.13 -0.11 0.00 -1.16 0.00 0.00 60.37 58.97 2wwq h HIS 13 Cb 0.64 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 2wwq h HIS 13 CO 0.00 1.04 -0.28 -0.22 0.86 0.00 0.00 177.93 179.33 2wwq h LYS 14 N 0.04 0.63 0.05 2.45 1.63 -1.69 -1.94 116.57 117.75 2wwq h LYS 14 Ca -0.05 -0.26 0.01 0.00 -0.85 0.00 0.00 60.65 59.50 2wwq h LYS 14 Cb 1.72 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 33.29 2wwq h LYS 14 CO 0.15 0.84 -0.32 0.87 -3.45 0.00 0.00 179.45 177.53 2wwq h LYS 15 N 0.54 -0.43 0.13 1.90 1.57 -1.72 -2.98 116.57 115.57 2wwq h LYS 15 Ca 0.07 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2wwq h LYS 15 Cb 0.76 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.14 2wwq h LYS 15 CO 0.06 -0.29 -0.22 0.82 -0.57 0.00 0.00 179.45 179.25 2wwq h ILE 16 N -0.45 0.51 -0.82 1.86 1.08 -1.59 -1.96 117.51 116.14 2wwq h ILE 16 Ca -0.00 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.56 2wwq h ILE 16 Cb 0.46 0.51 -0.06 0.00 -3.07 0.00 0.00 36.82 34.66 2wwq h ILE 16 CO -0.19 0.00 0.53 -0.07 -0.69 0.00 0.00 178.15 177.73 2wwq h LEU 17 N -0.42 0.71 -0.86 1.44 3.38 -1.50 0.12 115.31 118.18 2wwq h LEU 17 Ca 0.02 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2wwq h LEU 17 Cb 0.43 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2wwq h LEU 17 CO -0.12 0.43 -0.33 0.11 0.09 0.00 0.00 178.44 178.63 2wwq h LYS 18 N 0.79 0.00 -0.20 1.13 1.79 -1.29 -2.91 116.57 115.89 2wwq h LYS 18 Ca 0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 2wwq h LYS 18 Cb 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2wwq h LYS 18 CO -0.14 0.33 0.00 1.04 -1.08 0.00 0.00 179.45 179.59 2wwq n GLN 19 N -3.42 2.17 -0.02 3.15 6.02 -0.50 -4.15 117.38 120.62 2wwq n GLN 19 Ca 0.00 -1.74 0.01 0.00 -0.01 0.00 0.00 57.00 55.27 2wwq n GLN 19 Cb 0.51 -1.47 0.02 0.00 1.02 0.00 0.00 30.24 30.33 2wwq n GLN 19 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wwq n ALA 20 N 1.00 2.31 -0.47 -1.58 0.00 0.28 -5.04 120.51 117.01 2wwq n ALA 20 Ca 0.17 -0.74 -0.28 0.00 0.00 0.00 0.00 53.44 52.59 2wwq n ALA 20 Cb 0.51 -0.11 0.23 0.00 0.00 0.00 0.00 19.45 20.08 2wwq n ALA 20 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2wwq n LYS 21 N -0.00 -2.89 -1.00 0.00 2.85 -1.12 -4.22 118.16 111.78 2wwq n LYS 21 Ca 0.02 -0.84 0.00 0.00 -1.05 0.00 0.00 58.31 56.44 2wwq n LYS 21 Cb 0.17 -1.83 0.00 0.00 -0.65 0.00 0.00 35.03 32.72 2wwq n LYS 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2wwq n GLY 22 N 1.83 0.71 3.44 2.58 0.00 -1.26 -4.99 105.19 107.50 2wwq n GLY 22 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 2wwq n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wwq s TYR 23 N -2.85 3.10 0.06 1.61 4.12 -1.26 -5.07 117.35 117.06 2wwq s TYR 23 Ca 0.00 -0.46 -0.18 0.00 0.02 0.00 0.00 57.07 56.45 2wwq s TYR 23 Cb 0.00 -2.25 -0.10 0.00 -1.52 0.00 0.00 41.96 38.08 2wwq s TYR 23 CO 0.00 -0.38 0.42 0.98 0.02 0.00 0.00 175.55 176.59 2wwq n TYR 24 N 4.93 0.00 -3.97 2.71 9.36 -1.26 -4.25 117.16 124.69 2wwq n TYR 24 Ca -0.16 0.56 0.00 0.00 3.32 0.00 0.00 57.90 61.62 2wwq n TYR 24 Cb 0.51 -1.11 0.00 0.00 -0.63 0.00 0.00 39.34 38.11 2wwq n TYR 24 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2wwq n GLY 25 N 0.98 0.05 0.00 2.98 0.00 -1.26 -3.77 105.19 104.16 2wwq n GLY 25 Ca 0.10 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2wwq n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wwq n ALA 26 N 0.88 0.80 0.14 4.61 0.00 -1.26 -3.33 120.51 122.35 2wwq n ALA 26 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 2wwq n ALA 26 Cb 0.00 -0.76 0.78 0.00 0.00 0.00 0.00 19.45 19.46 2wwq n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwq h ARG 27 N 0.00 0.00 0.00 0.00 2.47 -1.75 -2.22 114.38 112.88 2wwq h ARG 27 Ca 0.00 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.55 2wwq h ARG 27 Cb 0.22 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.50 2wwq h ARG 27 CO 0.00 0.00 -1.72 -1.13 0.56 0.00 0.00 179.97 177.68 2wwq n SER 28 N -3.65 2.31 0.02 7.04 3.41 -1.21 -4.20 113.62 117.34 2wwq n SER 28 Ca 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.53 2wwq n SER 28 Cb 0.52 0.87 -0.09 0.00 -0.26 0.00 0.00 64.21 65.24 2wwq n SER 28 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2wwq h ARG 29 N 0.00 -0.07 -6.24 4.33 3.08 -1.58 -3.46 114.38 110.44 2wwq h ARG 29 Ca -0.26 0.01 -0.57 0.00 0.07 0.00 0.00 59.98 59.23 2wwq h ARG 29 Cb 1.53 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.55 2wwq h ARG 29 CO 0.01 0.35 -0.01 0.08 -1.07 0.00 0.00 179.97 179.33 2wwq s VAL 30 N -4.40 4.73 -0.12 2.04 1.01 -1.05 -5.02 120.40 117.59 2wwq s VAL 30 Ca -0.15 1.27 -0.25 0.00 0.00 0.00 0.00 61.98 62.85 2wwq s VAL 30 Cb 0.02 -3.93 -0.22 0.00 0.00 0.00 0.00 36.38 32.25 2wwq s VAL 30 CO 0.64 0.53 0.75 0.22 0.00 0.00 0.00 175.10 177.24 2wwq h TYR 31 N 4.69 -0.01 -0.17 5.22 3.20 -1.90 -2.17 116.97 125.83 2wwq h TYR 31 Ca -0.49 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.40 2wwq h TYR 31 Cb 1.21 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.46 2wwq h TYR 31 CO 0.67 0.81 -0.10 0.54 -1.64 0.00 0.00 178.16 178.44 2wwq n ARG 32 N -4.67 -0.08 -1.05 1.82 1.74 -1.26 -1.98 116.66 111.18 2wwq n ARG 32 Ca -0.09 1.06 -0.19 0.00 -0.77 0.00 0.00 57.85 57.86 2wwq n ARG 32 Cb 0.40 -1.58 0.01 0.00 -1.02 0.00 0.00 32.46 30.27 2wwq n ARG 32 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2wwq n VAL 33 N -3.37 2.93 -1.75 1.55 0.31 -1.23 -2.63 118.33 114.14 2wwq n VAL 33 Ca 0.00 -2.00 0.00 0.00 -0.01 0.00 0.00 64.34 62.33 2wwq n VAL 33 Cb 0.05 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 2wwq n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wwq n ALA 34 N 0.50 1.54 0.00 3.52 0.00 -0.82 -4.29 120.51 120.96 2wwq n ALA 34 Ca 0.36 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2wwq n ALA 34 Cb 0.58 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.88 2wwq n ALA 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2wwq n PHE 35 N 0.00 0.00 0.42 0.00 7.35 -0.98 -3.57 117.46 120.68 2wwq n PHE 35 Ca 0.00 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.74 2wwq n PHE 35 Cb 0.56 0.05 0.25 0.00 0.35 0.00 0.00 39.48 40.69 2wwq n PHE 35 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wwq n GLN 36 N -2.91 0.04 -0.10 -4.13 10.64 -1.10 -0.77 117.38 119.06 2wwq n GLN 36 Ca 0.00 0.28 -0.18 0.00 -1.83 0.00 0.00 57.00 55.27 2wwq n GLN 36 Cb 0.45 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.24 2wwq n GLN 36 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2wwq n ALA 37 N -1.45 0.75 -0.22 2.61 0.00 -1.26 -3.84 120.51 117.10 2wwq n ALA 37 Ca 0.03 -0.56 0.07 0.00 0.00 0.00 0.00 53.44 52.99 2wwq n ALA 37 Cb 0.12 -0.30 0.34 0.00 0.00 0.00 0.00 19.45 19.61 2wwq n ALA 37 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2wwq h VAL 38 N -1.00 0.99 0.00 0.00 3.04 -1.43 -0.52 116.25 117.32 2wwq h VAL 38 Ca -0.29 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 2wwq h VAL 38 Cb 1.12 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 2wwq h VAL 38 CO -0.17 0.14 0.00 -0.38 -1.01 0.00 0.00 177.57 176.15 2wwq n ILE 39 N -4.50 0.00 -0.37 3.17 5.41 0.05 -1.95 119.36 121.17 2wwq n ILE 39 Ca 0.13 1.43 0.33 0.00 1.00 0.00 0.00 62.75 65.63 2wwq n ILE 39 Cb 0.28 -2.26 0.60 0.00 -0.71 0.00 0.00 39.64 37.54 2wwq n ILE 39 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2wwq h LYS 40 N 0.00 0.08 0.80 0.38 1.79 -1.58 -1.34 116.57 116.71 2wwq h LYS 40 Ca 0.00 -0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 2wwq h LYS 40 Cb 0.00 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2wwq h LYS 40 CO 0.00 0.05 -0.43 0.00 -1.08 0.00 0.00 179.45 178.00 2wwq h ALA 41 N 1.82 -1.15 -0.65 3.86 0.00 -1.08 -2.19 119.26 119.88 2wwq h ALA 41 Ca 0.83 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.49 2wwq h ALA 41 Cb 2.31 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 20.55 2wwq h ALA 41 CO -0.61 -1.15 0.39 0.78 0.00 0.00 0.00 179.25 178.66 2wwq h GLY 42 N -1.13 0.94 0.41 0.00 0.00 -0.66 -1.59 103.07 101.05 2wwq h GLY 42 Ca -0.11 -0.39 0.05 0.00 0.00 0.00 0.00 47.33 46.88 2wwq h GLY 42 CO 0.15 0.38 -0.12 -1.61 0.00 0.00 0.00 176.54 175.34 2wwq h GLN 43 N 0.88 -0.10 -0.23 4.80 5.75 -1.22 -1.24 115.11 123.75 2wwq h GLN 43 Ca 0.23 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.77 2wwq h GLN 43 Cb -0.03 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 2wwq h GLN 43 CO -0.04 -0.07 0.02 1.88 -2.65 0.00 0.00 178.83 177.97 2wwq h TYR 44 N -0.10 0.03 -0.10 3.99 0.99 -1.33 0.62 116.97 121.07 2wwq h TYR 44 Ca 0.12 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.91 2wwq h TYR 44 Cb 0.29 0.02 -0.06 0.00 1.00 0.00 0.00 36.73 37.98 2wwq h TYR 44 CO -0.29 -0.01 -0.28 0.00 -0.00 0.00 0.00 178.16 177.58 2wwq h ALA 45 N 1.18 -0.33 -0.51 3.88 0.00 -0.68 0.21 119.26 123.02 2wwq h ALA 45 Ca 0.11 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.11 2wwq h ALA 45 Cb 0.12 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2wwq h ALA 45 CO -0.16 -0.76 0.34 -0.92 0.00 0.00 0.00 179.25 177.75 2wwq h TYR 46 N -0.37 0.40 0.17 0.00 3.20 -1.15 -0.88 116.97 118.33 2wwq h TYR 46 Ca 0.09 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 2wwq h TYR 46 Cb 0.51 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.65 2wwq h TYR 46 CO -0.36 0.21 -0.08 -0.09 -1.64 0.00 0.00 178.16 176.20 2wwq h ARG 47 N 0.39 -0.21 0.00 1.82 2.43 0.67 -3.20 114.38 116.28 2wwq h ARG 47 Ca 0.23 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2wwq h ARG 47 Cb 0.39 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2wwq h ARG 47 CO -0.06 -0.14 0.00 -0.25 -1.51 0.00 0.00 179.97 178.01 2wwq n ASP 48 N -2.98 0.38 0.22 -3.80 10.43 0.59 -2.71 116.55 118.67 2wwq n ASP 48 Ca -0.03 0.65 0.06 0.00 2.57 0.00 0.00 54.79 58.04 2wwq n ASP 48 Cb 0.09 -0.71 0.51 0.00 1.84 0.00 0.00 41.12 42.85 2wwq n ASP 48 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 2wwq h ARG 49 N 0.00 0.00 0.06 -1.24 2.43 -1.14 0.18 114.38 114.66 2wwq h ARG 49 Ca 0.00 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.81 2wwq h ARG 49 Cb 0.09 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 2wwq h ARG 49 CO 0.00 0.20 -2.06 0.54 -1.51 0.00 0.00 179.97 177.15 2wwq n ARG 50 N -4.19 0.68 0.18 0.20 3.00 -1.10 -3.81 116.66 111.62 2wwq n ARG 50 Ca -0.02 0.29 0.06 0.00 -0.01 0.00 0.00 57.85 58.17 2wwq n ARG 50 Cb 0.27 -1.64 0.34 0.00 0.00 0.00 0.00 32.46 31.42 2wwq n ARG 50 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 2wwq h GLN 51 N -0.27 0.00 0.62 5.56 4.20 -1.49 -2.78 115.11 120.95 2wwq h GLN 51 Ca -0.49 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.19 2wwq h GLN 51 Cb 1.82 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.61 2wwq h GLN 51 CO -0.07 0.00 -0.30 0.00 -0.67 0.00 0.00 178.83 177.79 2wwq h ARG 52 N 0.00 -0.80 0.00 1.46 3.08 -1.06 -0.92 114.38 116.14 2wwq h ARG 52 Ca 0.00 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2wwq h ARG 52 Cb 0.78 0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.01 2wwq h ARG 52 CO 0.00 -0.53 0.00 1.63 -1.07 0.00 0.00 179.97 180.00 2wwq n LYS 53 N -4.31 0.02 -0.00 0.04 5.02 -1.06 -1.38 118.16 116.49 2wwq n LYS 53 Ca -0.10 0.10 -0.21 0.00 -2.02 0.00 0.00 58.31 56.07 2wwq n LYS 53 Cb 0.33 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.70 2wwq n LYS 53 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wwq n ARG 54 N -1.10 0.75 0.07 1.97 1.74 -0.49 -3.74 116.66 115.86 2wwq n ARG 54 Ca 0.00 0.28 0.12 0.00 -0.77 0.00 0.00 57.85 57.48 2wwq n ARG 54 Cb 0.00 -1.71 0.06 0.00 -1.02 0.00 0.00 32.46 29.79 2wwq n ARG 54 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2wwq n GLN 55 N -3.55 0.43 0.06 5.56 6.02 -0.47 -1.74 117.38 123.68 2wwq n GLN 55 Ca -0.32 0.08 -0.23 0.00 -0.01 0.00 0.00 57.00 56.52 2wwq n GLN 55 Cb 1.02 -1.72 -0.15 0.00 1.02 0.00 0.00 30.24 30.41 2wwq n GLN 55 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 2wwq h PHE 56 N 0.00 0.65 0.00 1.08 -1.00 -1.56 -2.03 116.94 114.08 2wwq h PHE 56 Ca 0.00 -0.48 0.00 0.00 2.81 0.00 0.00 57.97 60.30 2wwq h PHE 56 Cb 0.85 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.39 2wwq h PHE 56 CO 0.00 1.64 0.00 -2.13 -1.61 0.00 0.00 178.31 176.21 2wwq n ARG 57 N -3.70 0.71 0.02 1.51 0.63 -0.71 0.10 116.66 115.21 2wwq n ARG 57 Ca -0.24 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.68 2wwq n ARG 57 Cb 1.02 -1.32 -0.00 0.00 0.45 0.00 0.00 32.46 32.61 2wwq n ARG 57 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2wwq n GLN 58 N 0.22 0.02 -0.18 -0.14 6.02 -0.78 -4.57 117.38 117.97 2wwq n GLN 58 Ca 0.00 0.01 -0.02 0.00 -0.01 0.00 0.00 57.00 56.98 2wwq n GLN 58 Cb 0.20 -0.53 0.04 0.00 1.02 0.00 0.00 30.24 30.98 2wwq n GLN 58 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2wwq h LEU 59 N -0.03 -0.51 0.24 1.08 6.46 -0.56 -0.57 115.31 121.42 2wwq h LEU 59 Ca -0.01 0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 57.91 2wwq h LEU 59 Cb 0.63 0.34 -0.02 0.00 -0.73 0.00 0.00 40.66 40.87 2wwq h LEU 59 CO -0.01 -0.18 -0.36 -0.50 -0.62 0.00 0.00 178.44 176.78 2wwq h TRP 60 N -0.00 -1.00 -0.65 1.25 6.55 -0.62 -2.95 115.95 118.52 2wwq h TRP 60 Ca 0.26 0.02 0.14 0.00 0.95 0.00 0.00 58.89 60.25 2wwq h TRP 60 Cb 0.40 0.41 -0.10 0.00 -0.86 0.00 0.00 29.16 29.00 2wwq h TRP 60 CO -0.46 -0.44 0.08 0.82 -1.05 0.00 0.00 178.44 177.39 2wwq h ILE 61 N -0.62 0.53 -0.97 1.49 2.04 -1.62 0.25 117.51 118.61 2wwq h ILE 61 Ca -0.03 -0.07 0.30 0.00 1.00 0.00 0.00 64.86 66.07 2wwq h ILE 61 Cb 0.57 0.32 -0.17 0.00 -0.74 0.00 0.00 36.82 36.80 2wwq h ILE 61 CO -0.10 0.03 0.23 0.00 0.00 0.00 0.00 178.15 178.31 2wwq h ALA 62 N 1.56 1.48 0.00 1.87 0.00 -1.14 -1.23 119.26 121.81 2wwq h ALA 62 Ca 0.35 0.29 -0.27 0.00 0.00 0.00 0.00 54.91 55.28 2wwq h ALA 62 Cb 0.57 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 2wwq h ALA 62 CO -0.50 -0.65 -2.21 2.89 0.00 0.00 0.00 179.25 178.79 2wwq n ARG 63 N -5.35 0.85 -0.32 0.00 1.85 0.79 -1.93 116.66 112.56 2wwq n ARG 63 Ca 0.27 -0.05 0.04 0.00 -1.00 0.00 0.00 57.85 57.11 2wwq n ARG 63 Cb 0.89 -1.48 0.23 0.00 -1.05 0.00 0.00 32.46 31.04 2wwq n ARG 63 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 2wwq h ILE 64 N 0.00 1.06 0.70 8.89 2.04 -1.23 -1.91 117.51 127.06 2wwq h ILE 64 Ca -0.40 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.07 2wwq h ILE 64 Cb 1.88 -0.08 0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2wwq h ILE 64 CO 0.02 0.19 -0.33 -1.13 0.00 0.00 0.00 178.15 176.90 2wwq h ASN 65 N 1.05 -0.79 -0.98 1.72 -1.24 -0.95 -2.11 115.58 112.28 2wwq h ASN 65 Ca 0.40 0.00 0.25 0.00 0.71 0.00 0.00 56.30 57.67 2wwq h ASN 65 Cb 0.21 0.20 -0.13 0.00 0.73 0.00 0.00 38.32 39.34 2wwq h ASN 65 CO -0.16 -0.43 0.55 0.00 -1.29 0.00 0.00 177.43 176.10 2wwq h ALA 66 N -1.08 1.74 0.33 1.57 0.00 -1.19 -1.28 119.26 119.34 2wwq h ALA 66 Ca -0.10 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2wwq h ALA 66 Cb 0.74 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2wwq h ALA 66 CO 0.16 -0.31 -0.16 0.00 0.00 0.00 0.00 179.25 178.94 2wwq h ALA 67 N 1.74 -0.99 -0.85 0.00 0.00 -1.09 -2.90 119.26 115.17 2wwq h ALA 67 Ca 0.64 -0.10 0.20 0.00 0.00 0.00 0.00 54.91 55.65 2wwq h ALA 67 Cb 1.24 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 2wwq h ALA 67 CO -0.50 -0.96 0.57 0.00 0.00 0.00 0.00 179.25 178.36 2wwq h ALA 68 N -1.75 2.30 0.35 0.00 0.00 -1.30 -2.75 119.26 116.10 2wwq h ALA 68 Ca -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2wwq h ALA 68 Cb 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2wwq h ALA 68 CO 0.07 -0.56 -0.23 -0.09 0.00 0.00 0.00 179.25 178.45 2wwq h ARG 69 N 0.32 -0.54 -0.84 0.00 9.65 -1.03 -2.26 114.38 119.69 2wwq h ARG 69 Ca 0.43 0.04 0.10 0.00 -1.10 0.00 0.00 59.98 59.45 2wwq h ARG 69 Cb 1.18 0.12 -0.08 0.00 -1.39 0.00 0.00 29.97 29.80 2wwq h ARG 69 CO -0.13 -0.36 0.48 1.96 2.80 0.00 0.00 179.97 184.72 2wwq h GLN 70 N -0.56 0.76 0.00 0.20 4.20 -1.40 -3.38 115.11 114.94 2wwq h GLN 70 Ca -0.03 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2wwq h GLN 70 Cb 0.47 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2wwq h GLN 70 CO 0.03 0.51 0.00 0.09 -0.67 0.00 0.00 178.83 178.78 2wwq n ASN 71 N -4.75 0.00 0.00 1.46 3.02 -1.00 -5.07 115.26 108.92 2wwq n ASN 71 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 2wwq n ASN 71 Cb 0.30 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 2wwq n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wwq n GLY 72 N 3.06 0.34 2.97 7.41 0.00 -0.88 -5.05 105.19 113.03 2wwq n GLY 72 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2wwq n GLY 72 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wwq n ILE 73 N 0.00 0.00 -2.27 -0.61 -5.35 -1.25 -4.23 119.36 105.65 2wwq n ILE 73 Ca 0.00 -0.05 -0.26 0.00 -0.27 0.00 0.00 62.75 62.17 2wwq n ILE 73 Cb 0.00 -0.15 0.11 0.00 -1.74 0.00 0.00 39.64 37.87 2wwq n ILE 73 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2wwq s SER 74 N -1.24 4.22 0.05 7.28 1.04 -1.26 -3.39 113.70 120.39 2wwq s SER 74 Ca 0.29 0.12 -0.35 0.00 0.48 0.00 0.00 55.95 56.49 2wwq s SER 74 Cb 0.03 -0.52 -0.19 0.00 0.10 0.00 0.00 66.02 65.43 2wwq s SER 74 CO 0.44 -1.97 1.45 0.22 0.98 0.00 0.00 173.24 174.36 2wwq h TYR 75 N -0.83 -1.15 -0.67 5.02 3.20 -1.92 -1.41 116.97 119.20 2wwq h TYR 75 Ca -0.42 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.49 2wwq h TYR 75 Cb 1.28 0.38 -0.08 0.00 1.54 0.00 0.00 36.73 39.85 2wwq h TYR 75 CO -0.24 -0.71 -0.40 0.43 -1.64 0.00 0.00 178.16 175.60 2wwq n SER 76 N -5.60 -0.71 -0.26 -2.11 7.64 -1.26 -2.51 113.62 108.80 2wwq n SER 76 Ca -0.16 1.37 -0.05 0.00 1.01 0.00 0.00 58.87 61.04 2wwq n SER 76 Cb 0.49 -0.24 0.06 0.00 -1.01 0.00 0.00 64.21 63.50 2wwq n SER 76 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2wwq h LYS 77 N 0.00 1.00 0.00 1.43 1.57 -1.90 -3.18 116.57 115.49 2wwq h LYS 77 Ca 0.11 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wwq h LYS 77 Cb 0.28 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2wwq h LYS 77 CO -0.63 0.73 0.00 0.34 -0.57 0.00 0.00 179.45 179.32 2wwq n PHE 78 N -4.50 0.00 -0.33 -1.35 -0.00 -0.53 -3.59 117.46 107.17 2wwq n PHE 78 Ca 0.06 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.66 2wwq n PHE 78 Cb 0.07 -0.25 0.38 0.00 -0.00 0.00 0.00 39.48 39.69 2wwq n PHE 78 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.76 177.73 2wwq h ILE 79 N 0.00 0.69 -0.19 -2.13 6.09 -1.58 -1.85 117.51 118.54 2wwq h ILE 79 Ca 0.00 -0.23 -0.69 0.00 -1.37 0.00 0.00 64.86 62.57 2wwq h ILE 79 Cb 0.00 -0.03 -0.01 0.00 0.47 0.00 0.00 36.82 37.25 2wwq h ILE 79 CO 0.00 0.12 3.46 -3.20 -3.07 0.00 0.00 178.15 175.46 2wwq n ASN 80 N -4.69 7.44 0.00 2.19 2.85 -1.20 -2.28 115.26 119.56 2wwq n ASN 80 Ca 0.23 -2.72 0.00 0.00 -0.11 0.00 0.00 54.58 51.98 2wwq n ASN 80 Cb 0.62 -1.56 0.00 0.00 1.24 0.00 0.00 39.78 40.09 2wwq n ASN 80 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2wwq n GLY 81 N 3.45 -0.08 0.29 8.20 0.00 -0.70 -4.63 105.19 111.72 2wwq n GLY 81 Ca 0.69 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.83 2wwq n GLY 81 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wwq h LEU 82 N 0.00 0.00 0.18 0.99 3.38 -1.38 -0.90 115.31 117.58 2wwq h LEU 82 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2wwq h LEU 82 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wwq h LEU 82 CO 0.00 0.00 -0.09 0.11 0.09 0.00 0.00 178.44 178.55 2wwq h LYS 83 N 0.00 -0.23 0.00 1.13 1.57 -1.77 -2.92 116.57 114.35 2wwq h LYS 83 Ca 0.04 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2wwq h LYS 83 Cb 0.19 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2wwq h LYS 83 CO -0.00 -0.15 0.00 1.63 -0.57 0.00 0.00 179.45 180.36 2wwq n LYS 84 N -4.90 0.07 0.07 3.15 5.02 -1.17 -1.51 118.16 118.89 2wwq n LYS 84 Ca -0.03 0.40 -0.23 0.00 -2.02 0.00 0.00 58.31 56.43 2wwq n LYS 84 Cb 0.09 -1.67 -0.15 0.00 -0.02 0.00 0.00 35.03 33.29 2wwq n LYS 84 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wwq h ALA 85 N 2.26 0.15 -1.17 7.82 0.00 -1.18 -3.49 119.26 123.66 2wwq h ALA 85 Ca 0.00 -1.14 0.02 0.00 0.00 0.00 0.00 54.91 53.79 2wwq h ALA 85 Cb 0.19 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2wwq h ALA 85 CO 0.00 1.02 -0.32 0.43 0.00 0.00 0.00 179.25 180.38 2wwq n SER 86 N -3.59 -2.64 0.00 0.00 7.64 -0.57 -4.96 113.62 109.50 2wwq n SER 86 Ca -0.25 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.20 2wwq n SER 86 Cb 1.08 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2wwq n SER 86 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2wwq n VAL 87 N -2.01 0.00 0.00 0.44 0.31 -1.26 -4.60 118.33 111.21 2wwq n VAL 87 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2wwq n VAL 87 Cb 0.16 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 2wwq n VAL 87 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2wwq n GLU 88 N 0.00 0.00 -0.07 5.55 4.07 -1.26 -5.03 120.64 123.90 2wwq n GLU 88 Ca 0.00 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.98 2wwq n GLU 88 Cb 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.33 2wwq n GLU 88 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 2wwq h ILE 89 N 0.00 1.27 0.00 6.31 1.08 -1.81 -3.45 117.51 120.91 2wwq h ILE 89 Ca 0.00 -0.96 0.00 0.00 -0.39 0.00 0.00 64.86 63.51 2wwq h ILE 89 Cb 0.00 1.48 0.00 0.00 -3.07 0.00 0.00 36.82 35.23 2wwq h ILE 89 CO 0.00 0.29 0.00 0.47 -0.69 0.00 0.00 178.15 178.22 2wwq n ASP 90 N -4.64 -2.62 -0.48 1.72 10.43 -1.26 -4.84 116.55 114.87 2wwq n ASP 90 Ca -0.04 0.00 0.02 0.00 2.57 0.00 0.00 54.79 57.34 2wwq n ASP 90 Cb 0.26 -0.44 -0.01 0.00 1.84 0.00 0.00 41.12 42.78 2wwq n ASP 90 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2wwq n ARG 91 N -2.87 -0.36 -0.04 -1.24 1.74 -1.26 -1.88 116.66 110.75 2wwq n ARG 91 Ca 0.00 0.24 -0.06 0.00 -0.77 0.00 0.00 57.85 57.26 2wwq n ARG 91 Cb 0.00 -0.44 -0.04 0.00 -1.02 0.00 0.00 32.46 30.96 2wwq n ARG 91 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wwq n LYS 92 N -1.20 0.21 -0.22 5.56 5.02 -1.26 -2.53 118.16 123.74 2wwq n LYS 92 Ca 0.00 0.05 -0.05 0.00 -2.02 0.00 0.00 58.31 56.29 2wwq n LYS 92 Cb 0.08 -1.16 0.05 0.00 -0.02 0.00 0.00 35.03 33.98 2wwq n LYS 92 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2wwq h ILE 93 N -0.00 1.12 -0.38 -0.18 6.09 -1.91 -2.98 117.51 119.27 2wwq h ILE 93 Ca -0.19 -0.28 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 2wwq h ILE 93 Cb 1.29 0.24 0.00 0.00 0.47 0.00 0.00 36.82 38.82 2wwq h ILE 93 CO -0.03 0.15 0.00 0.18 -3.07 0.00 0.00 178.15 175.38 2wwq n LEU 94 N -4.68 3.03 -0.14 2.19 4.77 -1.25 -3.16 117.00 117.76 2wwq n LEU 94 Ca 0.05 -1.88 -0.12 0.00 -0.03 0.00 0.00 56.01 54.04 2wwq n LEU 94 Cb 0.05 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 2wwq n LEU 94 CO 0.34 0.74 0.63 0.00 -1.33 0.00 0.00 177.39 177.77 2wwq h ALA 95 N 2.55 0.61 -2.14 -1.18 0.00 -1.08 -3.40 119.26 114.63 2wwq h ALA 95 Ca 0.00 -0.41 -0.57 0.00 0.00 0.00 0.00 54.91 53.93 2wwq h ALA 95 Cb 0.76 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 2wwq h ALA 95 CO 0.00 0.63 0.75 0.34 0.00 0.00 0.00 179.25 180.97 2wwq s ASP 96 N -6.71 7.12 0.00 0.00 -1.08 -1.19 -4.74 116.67 110.07 2wwq s ASP 96 Ca -0.11 1.45 0.00 0.00 -0.52 0.00 0.00 52.55 53.37 2wwq s ASP 96 Cb 0.11 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 2wwq s ASP 96 CO 0.87 -0.62 0.76 2.30 0.52 0.00 0.00 175.17 179.00 2wwq n ILE 97 N 5.12 0.00 1.08 4.11 -5.35 -1.26 -4.92 119.36 118.14 2wwq n ILE 97 Ca 0.11 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.71 2wwq n ILE 97 Cb 0.47 0.34 0.22 0.00 -1.74 0.00 0.00 39.64 38.92 2wwq n ILE 97 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wwq n ALA 98 N 0.00 3.56 -0.26 -1.28 0.00 -1.26 -3.94 120.51 117.34 2wwq n ALA 98 Ca 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 53.44 52.95 2wwq n ALA 98 Cb 0.61 -1.04 0.05 0.00 0.00 0.00 0.00 19.45 19.07 2wwq n ALA 98 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2wwq h VAL 99 N 0.66 1.23 -0.10 0.00 -1.51 -1.96 -3.04 116.25 111.53 2wwq h VAL 99 Ca 0.00 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 2wwq h VAL 99 Cb 0.53 0.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.02 2wwq h VAL 99 CO 0.00 0.26 0.00 0.49 -1.23 0.00 0.00 177.57 177.09 2wwq n PHE 100 N -4.46 0.13 -3.10 5.19 0.99 -1.26 -4.83 117.46 110.12 2wwq n PHE 100 Ca 0.06 -0.30 0.05 0.00 -0.00 0.00 0.00 57.45 57.25 2wwq n PHE 100 Cb 0.11 -0.02 0.00 0.00 -1.00 0.00 0.00 39.48 38.57 2wwq n PHE 100 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2wwq s ASP 101 N -0.78 -0.60 0.24 4.37 3.68 -1.23 -5.03 116.67 117.33 2wwq s ASP 101 Ca 0.09 0.01 -0.06 0.00 2.13 0.00 0.00 52.55 54.72 2wwq s ASP 101 Cb 0.05 1.27 0.25 0.00 -1.45 0.00 0.00 42.92 43.04 2wwq s ASP 101 CO 0.07 -0.10 1.85 0.50 0.13 0.00 0.00 175.17 177.62 2wwq h LYS 102 N 7.08 1.18 0.00 4.34 1.63 -1.79 -2.97 116.57 126.05 2wwq h LYS 102 Ca -0.07 -0.15 -0.05 0.00 -0.85 0.00 0.00 60.65 59.53 2wwq h LYS 102 Cb 1.19 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.58 2wwq h LYS 102 CO -0.05 0.89 -0.23 0.28 -3.45 0.00 0.00 179.45 176.88 2wwq h VAL 103 N 1.18 0.54 -0.42 2.00 2.07 -1.93 -0.53 116.25 119.16 2wwq h VAL 103 Ca 0.29 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 2wwq h VAL 103 Cb 0.07 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2wwq h VAL 103 CO -0.04 0.23 0.24 0.00 0.02 0.00 0.00 177.57 178.02 2wwq h ALA 104 N 1.77 0.54 -0.29 1.67 0.00 -1.84 -1.63 119.26 119.47 2wwq h ALA 104 Ca -0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2wwq h ALA 104 Cb 0.81 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2wwq h ALA 104 CO 0.03 0.04 -0.10 0.35 0.00 0.00 0.00 179.25 179.58 2wwq h PHE 105 N 0.55 0.65 0.00 0.00 3.04 -1.23 -3.28 116.94 116.67 2wwq h PHE 105 Ca 0.15 -0.15 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 2wwq h PHE 105 Cb 0.03 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 38.38 2wwq h PHE 105 CO -0.03 0.79 -0.00 1.15 -2.02 0.00 0.00 178.31 178.20 2wwq h THR 106 N 0.33 0.17 -0.05 4.41 2.02 -0.95 -1.74 112.91 117.09 2wwq h THR 106 Ca 0.07 -0.04 -0.13 0.00 0.77 0.00 0.00 66.41 67.08 2wwq h THR 106 Cb 0.60 1.03 0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2wwq h THR 106 CO 0.03 0.00 -0.48 0.00 0.37 0.00 0.00 175.52 175.45 2wwq h ALA 107 N 2.00 0.13 -0.83 6.16 0.00 -1.36 -2.52 119.26 122.84 2wwq h ALA 107 Ca -0.00 -0.51 0.13 0.00 0.00 0.00 0.00 54.91 54.52 2wwq h ALA 107 Cb 0.03 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.74 2wwq h ALA 107 CO 0.00 0.31 0.44 -0.07 0.00 0.00 0.00 179.25 179.93 2wwq h LEU 108 N -0.06 0.57 0.39 0.00 3.38 -1.47 -1.51 115.31 116.61 2wwq h LEU 108 Ca -0.05 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2wwq h LEU 108 Cb 1.16 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2wwq h LEU 108 CO 0.10 0.28 -0.28 0.58 0.09 0.00 0.00 178.44 179.21 2wwq h VAL 109 N 0.68 0.42 -0.46 1.22 2.07 -1.42 -2.09 116.25 116.66 2wwq h VAL 109 Ca 0.43 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.94 2wwq h VAL 109 Cb 0.54 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2wwq h VAL 109 CO -0.32 0.00 0.22 1.05 0.02 0.00 0.00 177.57 178.54 2wwq h GLU 110 N -0.66 0.67 0.00 1.57 4.11 -1.40 -0.54 114.58 118.33 2wwq h GLU 110 Ca -0.04 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.30 2wwq h GLU 110 Cb 0.56 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2wwq h GLU 110 CO 0.01 0.56 0.04 -0.22 0.07 0.00 0.00 179.01 179.48 2wwq h LYS 111 N 0.60 0.00 0.00 1.06 1.63 -1.10 -2.99 116.57 115.77 2wwq h LYS 111 Ca 0.16 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.81 2wwq h LYS 111 Cb 0.12 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.72 2wwq h LYS 111 CO -0.02 0.00 -1.57 0.00 -3.45 0.00 0.00 179.45 174.41 2wwq n ALA 112 N -1.85 1.78 0.09 5.00 0.00 -0.80 -2.92 120.51 121.81 2wwq n ALA 112 Ca -0.02 -0.45 0.19 0.00 0.00 0.00 0.00 53.44 53.16 2wwq n ALA 112 Cb 0.09 0.24 0.74 0.00 0.00 0.00 0.00 19.45 20.52 2wwq n ALA 112 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wwq h LYS 113 N 0.00 0.00 0.00 0.00 1.63 -1.05 -1.32 116.57 115.83 2wwq h LYS 113 Ca -0.22 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.58 2wwq h LYS 113 Cb 1.37 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.00 2wwq h LYS 113 CO -0.03 0.00 -1.11 0.00 -3.45 0.00 0.00 179.45 174.86 2wwq n ALA 114 N -2.47 2.89 0.12 5.00 0.00 -1.14 -2.16 120.51 122.75 2wwq n ALA 114 Ca 0.06 -0.33 -0.20 0.00 0.00 0.00 0.00 53.44 52.97 2wwq n ALA 114 Cb 0.51 -1.02 -0.14 0.00 0.00 0.00 0.00 19.45 18.80 2wwq n ALA 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwq h ALA 115 N 2.23 0.00 -0.62 0.00 0.00 -1.31 -3.01 119.26 116.55 2wwq h ALA 115 Ca 0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 54.91 54.02 2wwq h ALA 115 Cb 0.88 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2wwq h ALA 115 CO 0.00 0.80 0.20 1.25 0.00 0.00 0.00 179.25 181.50 2wwq h LEU 116 N 0.15 0.90 -0.01 0.00 5.85 -1.39 -3.49 115.31 117.32 2wwq h LEU 116 Ca -0.19 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2wwq h LEU 116 Cb 2.00 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.80 2wwq h LEU 116 CO 0.23 0.87 0.00 0.00 -0.34 0.00 0.00 178.44 179.20