#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j28 s ARG 2 N 0.00 1.22 0.01 0.00 0.52 -1.26 -5.07 118.95 114.38 2j28 s ARG 2 Ca 0.00 -1.46 0.00 0.00 -0.52 0.00 0.00 55.73 53.75 2j28 s ARG 2 Cb 0.00 -1.06 0.00 0.00 0.52 0.00 0.00 34.95 34.41 2j28 s ARG 2 CO 0.00 0.19 0.00 0.28 0.02 0.00 0.00 175.30 175.79 2j28 n VAL 3 N -0.02 0.00 -4.21 3.52 0.31 -1.26 -5.01 118.33 111.65 2j28 n VAL 3 Ca -0.11 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.87 2j28 n VAL 3 Cb 0.59 -0.01 -0.08 0.00 -0.91 0.00 0.00 33.84 33.43 2j28 n VAL 3 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2j28 n LYS 4 N -2.53 -0.81 -1.56 5.55 0.00 -1.26 -4.59 118.16 112.97 2j28 n LYS 4 Ca 0.00 0.11 -0.63 0.00 -0.00 0.00 0.00 58.31 57.80 2j28 n LYS 4 Cb 0.00 -3.90 -0.10 0.00 -0.00 0.00 0.00 35.03 31.03 2j28 n LYS 4 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2j28 n ARG 5 N -3.89 0.25 0.11 -1.58 1.85 -1.26 -4.45 116.66 107.69 2j28 n ARG 5 Ca -0.03 0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 2j28 n ARG 5 Cb 0.48 -1.66 0.00 0.00 -1.05 0.00 0.00 32.46 30.23 2j28 n ARG 5 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2j28 n GLY 6 N 5.39 -1.05 0.24 2.89 0.00 -1.26 -4.67 105.19 106.72 2j28 n GLY 6 Ca 0.39 0.18 -0.06 0.00 0.00 0.00 0.00 46.02 46.53 2j28 n GLY 6 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2j28 h VAL 7 N 0.00 1.28 0.07 1.61 3.04 -1.95 -1.17 116.25 119.13 2j28 h VAL 7 Ca 0.00 -1.42 -0.00 0.00 -1.01 0.00 0.00 66.70 64.26 2j28 h VAL 7 Cb 0.00 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.71 2j28 h VAL 7 CO 0.00 0.45 -0.03 0.40 -1.01 0.00 0.00 177.57 177.38 2j28 h ILE 8 N 0.47 1.22 0.08 3.17 5.03 -1.90 -2.87 117.51 122.71 2j28 h ILE 8 Ca 0.06 -1.13 0.01 0.00 -0.12 0.00 0.00 64.86 63.67 2j28 h ILE 8 Cb 0.79 1.94 -0.04 0.00 -3.03 0.00 0.00 36.82 36.48 2j28 h ILE 8 CO 0.06 0.28 -0.42 0.00 -0.68 0.00 0.00 178.15 177.39 2j28 h ALA 9 N 0.24 -0.90 -0.82 1.87 0.00 -1.80 0.22 119.26 118.08 2j28 h ALA 9 Ca -0.01 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 54.97 2j28 h ALA 9 Cb 0.52 0.82 -0.10 0.00 0.00 0.00 0.00 17.79 19.03 2j28 h ALA 9 CO 0.02 -1.01 0.38 -0.09 0.00 0.00 0.00 179.25 178.54 2j28 h ARG 10 N -0.59 0.51 -0.04 0.00 2.43 -1.33 0.96 114.38 116.32 2j28 h ARG 10 Ca -0.00 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2j28 h ARG 10 Cb 0.60 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 2j28 h ARG 10 CO -0.24 0.34 -0.05 0.00 -1.51 0.00 0.00 179.97 178.51 2j28 h ALA 11 N 1.58 -0.02 -0.57 2.80 0.00 -1.19 -1.65 119.26 120.21 2j28 h ALA 11 Ca 0.46 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.44 2j28 h ALA 11 Cb 0.70 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 2j28 h ALA 11 CO -0.40 -0.53 -0.34 -0.09 0.00 0.00 0.00 179.25 177.89 2j28 h ARG 12 N -0.07 -0.00 0.00 0.00 9.65 0.20 0.17 114.38 124.33 2j28 h ARG 12 Ca 0.04 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.86 2j28 h ARG 12 Cb 0.12 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 2j28 h ARG 12 CO -0.08 -0.00 -0.27 0.45 2.80 0.00 0.00 179.97 182.87 2j28 h HIS 13 N -0.00 0.00 -0.80 2.20 3.86 -1.54 -3.05 115.15 115.81 2j28 h HIS 13 Ca 0.09 0.00 0.21 0.00 -1.16 0.00 0.00 60.37 59.51 2j28 h HIS 13 Cb 0.23 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.66 2j28 h HIS 13 CO -0.99 0.27 0.56 -0.22 0.86 0.00 0.00 177.93 178.40 2j28 h LYS 14 N 0.00 0.15 -0.51 2.45 3.64 0.03 0.91 116.57 123.24 2j28 h LYS 14 Ca -0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2j28 h LYS 14 Cb 1.07 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 2j28 h LYS 14 CO 0.03 0.10 0.23 0.87 -2.27 0.00 0.00 179.45 178.41 2j28 h LYS 15 N 0.15 0.72 0.00 1.90 1.57 -1.32 0.50 116.57 120.09 2j28 h LYS 15 Ca 0.39 -0.09 -0.18 0.00 -1.87 0.00 0.00 60.65 58.90 2j28 h LYS 15 Cb 1.32 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 2j28 h LYS 15 CO -0.06 0.57 -1.05 -0.84 -0.57 0.00 0.00 179.45 177.50 2j28 h ILE 16 N 0.72 0.99 0.00 1.86 3.07 0.53 -2.90 117.51 121.78 2j28 h ILE 16 Ca 0.18 -2.55 0.00 0.00 1.55 0.00 0.00 64.86 64.04 2j28 h ILE 16 Cb 0.10 2.43 0.00 0.00 -0.27 0.00 0.00 36.82 39.08 2j28 h ILE 16 CO -0.02 0.56 -0.03 -0.07 -1.05 0.00 0.00 178.15 177.54 2j28 h LEU 17 N 0.00 0.00 0.09 0.16 4.07 -0.08 -3.02 115.31 116.53 2j28 h LEU 17 Ca -0.09 -0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.64 2j28 h LEU 17 Cb 1.63 0.00 0.02 0.00 1.08 0.00 0.00 40.66 43.39 2j28 h LEU 17 CO 0.08 0.00 -0.95 0.50 -1.08 0.00 0.00 178.44 176.99 2j28 h LYS 18 N 0.00 0.48 -1.03 1.13 1.63 -0.00 -3.01 116.57 115.76 2j28 h LYS 18 Ca 0.00 -0.64 -0.21 0.00 -0.85 0.00 0.00 60.65 58.95 2j28 h LYS 18 Cb 0.87 0.21 -0.12 0.00 -0.60 0.00 0.00 32.23 32.59 2j28 h LYS 18 CO 0.00 1.27 0.26 1.04 -3.45 0.00 0.00 179.45 178.57 2j28 n GLN 19 N -4.00 1.50 0.00 1.90 1.13 -1.10 -4.05 117.38 112.75 2j28 n GLN 19 Ca -0.13 -1.18 0.10 0.00 -1.94 0.00 0.00 57.00 53.85 2j28 n GLN 19 Cb 0.85 -1.46 0.47 0.00 0.11 0.00 0.00 30.24 30.21 2j28 n GLN 19 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2j28 n ALA 20 N -0.11 1.99 -2.86 -1.58 0.00 -1.14 -4.87 120.51 111.94 2j28 n ALA 20 Ca 0.24 -0.08 -0.04 0.00 0.00 0.00 0.00 53.44 53.55 2j28 n ALA 20 Cb 0.94 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 19.06 2j28 n ALA 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2j28 n LYS 21 N -1.37 -0.99 -3.78 0.00 4.76 -1.26 -2.00 118.16 113.53 2j28 n LYS 21 Ca 0.08 -0.05 -0.25 0.00 -2.87 0.00 0.00 58.31 55.21 2j28 n LYS 21 Cb 0.18 -0.29 0.00 0.00 -1.84 0.00 0.00 35.03 33.08 2j28 n LYS 21 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2j28 n GLY 22 N -1.17 -1.27 0.00 0.72 0.00 -1.26 -4.99 105.19 97.21 2j28 n GLY 22 Ca -0.04 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.59 2j28 n GLY 22 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2j28 n TYR 23 N -2.57 0.00 -4.01 1.61 4.01 -0.85 -5.04 117.16 110.31 2j28 n TYR 23 Ca -0.32 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.08 2j28 n TYR 23 Cb 0.69 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.57 2j28 n TYR 23 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2j28 s TYR 24 N 1.18 3.01 0.00 -0.72 5.04 -1.26 -4.85 117.35 119.74 2j28 s TYR 24 Ca 0.00 -1.59 0.00 0.00 -2.44 0.00 0.00 57.07 53.04 2j28 s TYR 24 Cb 0.00 -2.02 0.00 0.00 0.35 0.00 0.00 41.96 40.29 2j28 s TYR 24 CO 0.00 -0.75 0.00 0.41 -1.34 0.00 0.00 175.55 173.87 2j28 n GLY 25 N 4.64 2.78 0.61 8.97 0.00 -1.26 -1.05 105.19 119.88 2j28 n GLY 25 Ca -0.17 0.12 0.44 0.00 0.00 0.00 0.00 46.02 46.41 2j28 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j28 h ALA 26 N -0.26 3.40 -0.63 4.61 0.00 -1.97 0.58 119.26 124.98 2j28 h ALA 26 Ca 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.97 2j28 h ALA 26 Cb 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2j28 h ALA 26 CO 0.00 -1.89 0.42 0.00 0.00 0.00 0.00 179.25 177.79 2j28 h ARG 27 N 0.03 0.46 0.00 0.00 3.08 -1.41 -1.34 114.38 115.19 2j28 h ARG 27 Ca 0.78 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.80 2j28 h ARG 27 Cb 3.00 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 32.94 2j28 h ARG 27 CO -0.07 0.30 0.00 -1.13 -1.07 0.00 0.00 179.97 178.00 2j28 n SER 28 N -4.48 1.61 -0.05 7.04 3.41 0.18 -3.91 113.62 117.42 2j28 n SER 28 Ca 0.10 -1.71 -0.06 0.00 -0.26 0.00 0.00 58.87 56.95 2j28 n SER 28 Cb 0.36 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.24 2j28 n SER 28 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2j28 n ARG 29 N -0.35 1.82 0.00 4.33 5.12 0.38 -4.97 116.66 122.98 2j28 n ARG 29 Ca 0.00 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 2j28 n ARG 29 Cb 0.22 -1.23 0.00 0.00 -1.16 0.00 0.00 32.46 30.29 2j28 n ARG 29 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2j28 n VAL 30 N -2.49 0.00 0.00 1.55 0.31 -0.54 -4.99 118.33 112.17 2j28 n VAL 30 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2j28 n VAL 30 Cb 0.77 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.65 2j28 n VAL 30 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2j28 n TYR 31 N 0.00 0.00 0.09 3.52 4.19 -1.26 -4.90 117.16 118.79 2j28 n TYR 31 Ca 0.00 0.00 -0.08 0.00 3.31 0.00 0.00 57.90 61.13 2j28 n TYR 31 Cb 0.00 0.00 -0.04 0.00 0.49 0.00 0.00 39.34 39.79 2j28 n TYR 31 CO 0.00 0.00 0.00 -0.09 0.91 0.00 0.00 176.86 177.68 2j28 h ARG 32 N 0.00 0.13 0.00 2.98 2.43 -1.98 -3.11 114.38 114.84 2j28 h ARG 32 Ca 0.00 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 58.95 2j28 h ARG 32 Cb 0.00 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2j28 h ARG 32 CO 0.00 0.97 -0.62 0.28 -1.51 0.00 0.00 179.97 179.09 2j28 h VAL 33 N 0.06 0.25 -0.74 0.20 2.07 -1.91 -3.26 116.25 112.92 2j28 h VAL 33 Ca -0.04 -1.39 -0.06 0.00 0.82 0.00 0.00 66.70 66.02 2j28 h VAL 33 Cb 1.60 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 33.27 2j28 h VAL 33 CO 0.14 0.14 0.23 0.00 0.02 0.00 0.00 177.57 178.09 2j28 h ALA 34 N 1.81 0.99 0.27 1.67 0.00 -1.66 -2.18 119.26 120.16 2j28 h ALA 34 Ca -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2j28 h ALA 34 Cb 1.16 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2j28 h ALA 34 CO 0.02 0.67 -0.33 0.35 0.00 0.00 0.00 179.25 179.96 2j28 h PHE 35 N 1.11 -0.92 0.00 0.00 3.04 -1.58 -1.80 116.94 116.80 2j28 h PHE 35 Ca 0.24 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.20 2j28 h PHE 35 Cb 0.32 0.36 0.00 0.00 2.56 0.00 0.00 35.95 39.19 2j28 h PHE 35 CO 0.03 -0.42 0.00 0.00 -2.02 0.00 0.00 178.31 175.90 2j28 n GLN 36 N -4.35 0.29 0.00 1.11 10.64 -1.18 -2.43 117.38 121.47 2j28 n GLN 36 Ca -0.07 0.00 0.09 0.00 -1.83 0.00 0.00 57.00 55.19 2j28 n GLN 36 Cb 0.29 -1.50 0.48 0.00 -0.86 0.00 0.00 30.24 28.65 2j28 n GLN 36 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2j28 n ALA 37 N -1.00 2.02 0.29 2.61 0.00 -0.67 -2.95 120.51 120.81 2j28 n ALA 37 Ca 0.07 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.53 2j28 n ALA 37 Cb 0.03 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 2j28 n ALA 37 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2j28 n VAL 38 N -1.26 0.28 -0.09 0.00 0.24 -1.02 -4.30 118.33 112.18 2j28 n VAL 38 Ca 0.09 -0.40 -0.12 0.00 -2.04 0.00 0.00 64.34 61.88 2j28 n VAL 38 Cb 0.14 -0.01 -0.08 0.00 -1.47 0.00 0.00 33.84 32.42 2j28 n VAL 38 CO 0.00 0.00 0.00 0.16 -2.14 0.00 0.00 176.83 174.85 2j28 h ILE 39 N 0.00 0.00 0.00 1.34 -0.00 -1.79 0.66 117.51 117.73 2j28 h ILE 39 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 64.86 64.77 2j28 h ILE 39 Cb 0.88 0.00 -0.01 0.00 -0.00 0.00 0.00 36.82 37.68 2j28 h ILE 39 CO 0.00 0.00 -0.43 0.50 -0.00 0.00 0.00 178.15 178.22 2j28 h LYS 40 N -0.36 0.00 0.00 0.16 1.63 -1.86 0.14 116.57 116.29 2j28 h LYS 40 Ca 0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 2j28 h LYS 40 Cb 0.51 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 2j28 h LYS 40 CO -0.46 0.43 0.00 0.00 -3.45 0.00 0.00 179.45 175.97 2j28 n ALA 41 N -2.25 0.00 0.02 5.00 0.00 -0.47 -3.88 120.51 118.93 2j28 n ALA 41 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 2j28 n ALA 41 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 2j28 n ALA 41 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2j28 h GLY 42 N 0.00 0.05 0.80 0.00 0.00 -0.19 0.21 103.07 103.94 2j28 h GLY 42 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2j28 h GLY 42 CO 0.00 0.00 -0.12 -1.61 0.00 0.00 0.00 176.54 174.81 2j28 h GLN 43 N 0.03 -0.24 -0.46 4.80 4.15 0.07 -2.87 115.11 120.59 2j28 h GLN 43 Ca 0.02 0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.37 2j28 h GLN 43 Cb 0.02 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 2j28 h GLN 43 CO -0.03 -0.16 -0.07 -0.92 -1.93 0.00 0.00 178.83 175.72 2j28 h TYR 44 N -0.25 0.95 -0.21 3.99 3.20 -0.70 -3.36 116.97 120.58 2j28 h TYR 44 Ca 0.02 -0.19 0.03 0.00 3.14 0.00 0.00 58.73 61.72 2j28 h TYR 44 Cb 0.26 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.25 2j28 h TYR 44 CO -0.14 0.93 -0.34 0.00 -1.64 0.00 0.00 178.16 176.97 2j28 h ALA 45 N 0.89 -0.62 -1.26 1.82 0.00 -0.34 1.95 119.26 121.70 2j28 h ALA 45 Ca 0.12 -0.01 0.44 0.00 0.00 0.00 0.00 54.91 55.46 2j28 h ALA 45 Cb 0.60 0.94 -0.14 0.00 0.00 0.00 0.00 17.79 19.19 2j28 h ALA 45 CO 0.04 -0.77 0.78 -0.92 0.00 0.00 0.00 179.25 178.38 2j28 h TYR 46 N -0.27 0.61 0.00 0.00 -0.00 -1.69 0.15 116.97 115.77 2j28 h TYR 46 Ca 0.04 0.03 -0.20 0.00 -0.00 0.00 0.00 58.73 58.59 2j28 h TYR 46 Cb 0.37 -0.15 -0.04 0.00 -0.00 0.00 0.00 36.73 36.92 2j28 h TYR 46 CO -0.65 -0.28 -2.19 0.54 -0.00 0.00 0.00 178.16 175.58 2j28 n ARG 47 N -4.84 0.71 -0.29 1.82 5.12 -0.82 -4.55 116.66 113.81 2j28 n ARG 47 Ca 0.38 -0.09 -0.05 0.00 -1.93 0.00 0.00 57.85 56.16 2j28 n ARG 47 Cb 1.42 -1.51 0.08 0.00 -1.16 0.00 0.00 32.46 31.29 2j28 n ARG 47 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 2j28 h ASP 48 N 0.00 1.09 -0.21 0.55 3.58 0.60 -3.03 116.42 119.00 2j28 h ASP 48 Ca -0.30 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 56.98 2j28 h ASP 48 Cb 1.67 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.43 2j28 h ASP 48 CO 0.02 0.95 0.11 0.03 -2.88 0.00 0.00 179.24 177.47 2j28 h ARG 49 N 1.16 0.30 0.00 0.28 2.47 -1.71 -1.78 114.38 115.10 2j28 h ARG 49 Ca 0.27 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 2j28 h ARG 49 Cb 0.19 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 2j28 h ARG 49 CO -0.03 0.30 0.00 0.54 0.56 0.00 0.00 179.97 181.35 2j28 n ARG 50 N -4.87 0.11 0.00 0.04 5.12 -1.19 -0.24 116.66 115.63 2j28 n ARG 50 Ca -0.03 0.54 0.13 0.00 -1.93 0.00 0.00 57.85 56.56 2j28 n ARG 50 Cb 0.09 -1.81 0.36 0.00 -1.16 0.00 0.00 32.46 29.94 2j28 n ARG 50 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2j28 n GLN 51 N -2.03 0.14 0.06 5.56 6.02 -0.68 -4.31 117.38 122.14 2j28 n GLN 51 Ca -0.00 -0.07 0.01 0.00 -0.01 0.00 0.00 57.00 56.93 2j28 n GLN 51 Cb 0.07 -1.50 0.35 0.00 1.02 0.00 0.00 30.24 30.18 2j28 n GLN 51 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2j28 h ARG 52 N 0.17 0.37 -0.45 -1.09 0.11 -0.50 -3.34 114.38 109.64 2j28 h ARG 52 Ca 0.00 -0.08 0.10 0.00 0.10 0.00 0.00 59.98 60.10 2j28 h ARG 52 Cb 0.49 -0.05 -0.09 0.00 1.11 0.00 0.00 29.97 31.43 2j28 h ARG 52 CO 0.00 0.45 -0.08 1.63 0.10 0.00 0.00 179.97 182.07 2j28 n LYS 53 N -4.29 -0.04 -0.05 0.08 4.01 -1.26 -0.33 118.16 116.28 2j28 n LYS 53 Ca 0.00 0.70 -0.09 0.00 -0.51 0.00 0.00 58.31 58.41 2j28 n LYS 53 Cb 0.25 -1.06 -0.03 0.00 -0.51 0.00 0.00 35.03 33.68 2j28 n LYS 53 CO 0.00 0.00 0.00 0.07 -1.11 0.00 0.00 177.40 176.36 2j28 h ARG 54 N 0.00 -0.33 -1.04 1.97 0.11 -1.94 0.14 114.38 113.29 2j28 h ARG 54 Ca 0.23 0.02 0.27 0.00 0.10 0.00 0.00 59.98 60.60 2j28 h ARG 54 Cb 0.39 0.07 -0.11 0.00 1.11 0.00 0.00 29.97 31.43 2j28 h ARG 54 CO -0.45 -0.22 0.64 1.96 0.10 0.00 0.00 179.97 182.00 2j28 h GLN 55 N -0.34 0.44 0.09 0.08 4.20 -0.97 0.49 115.11 119.11 2j28 h GLN 55 Ca 0.12 -0.03 -0.30 0.00 0.06 0.00 0.00 58.65 58.50 2j28 h GLN 55 Cb 0.54 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 2j28 h GLN 55 CO -0.43 0.29 -1.62 0.74 -0.67 0.00 0.00 178.83 177.14 2j28 h PHE 56 N 0.45 0.36 -0.70 2.96 0.04 -1.42 -3.12 116.94 115.52 2j28 h PHE 56 Ca 0.64 -0.26 -0.06 0.00 2.80 0.00 0.00 57.97 61.09 2j28 h PHE 56 Cb 1.46 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.56 2j28 h PHE 56 CO -0.00 1.64 0.21 -0.09 -0.60 0.00 0.00 178.31 179.47 2j28 h ARG 57 N -0.31 1.08 0.00 1.51 2.43 -0.40 0.49 114.38 119.17 2j28 h ARG 57 Ca -0.37 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 58.56 2j28 h ARG 57 Cb 1.77 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 31.16 2j28 h ARG 57 CO 0.01 0.92 -0.09 -0.56 -1.51 0.00 0.00 179.97 178.74 2j28 h GLN 58 N 1.04 0.00 0.21 0.20 -0.00 -0.17 0.22 115.11 116.61 2j28 h GLN 58 Ca 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.87 2j28 h GLN 58 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.78 2j28 h GLN 58 CO -0.01 0.09 -0.10 1.25 -0.00 0.00 0.00 178.83 180.07 2j28 h LEU 59 N 0.00 -0.24 -0.09 0.06 5.85 -0.79 -2.41 115.31 117.69 2j28 h LEU 59 Ca -0.00 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.64 2j28 h LEU 59 Cb 0.17 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 2j28 h LEU 59 CO 0.01 0.27 -0.14 -0.50 -0.34 0.00 0.00 178.44 177.74 2j28 h TRP 60 N -1.03 -0.36 -0.79 1.25 6.55 0.04 0.29 115.95 121.89 2j28 h TRP 60 Ca -0.03 0.02 0.18 0.00 0.95 0.00 0.00 58.89 60.01 2j28 h TRP 60 Cb 0.34 0.17 -0.12 0.00 -0.86 0.00 0.00 29.16 28.69 2j28 h TRP 60 CO 0.03 -0.21 0.20 0.82 -1.05 0.00 0.00 178.44 178.23 2j28 h ILE 61 N -0.19 0.45 0.85 1.49 2.04 -0.69 0.17 117.51 121.62 2j28 h ILE 61 Ca 0.08 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 2j28 h ILE 61 Cb 0.30 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2j28 h ILE 61 CO -0.21 0.05 -0.43 0.00 0.00 0.00 0.00 178.15 177.56 2j28 h ALA 62 N 1.67 -1.30 -0.94 1.87 0.00 -0.47 -1.02 119.26 119.07 2j28 h ALA 62 Ca 0.46 -0.25 0.19 0.00 0.00 0.00 0.00 54.91 55.31 2j28 h ALA 62 Cb 0.84 0.48 -0.18 0.00 0.00 0.00 0.00 17.79 18.93 2j28 h ALA 62 CO -0.56 -1.23 -0.24 0.00 0.00 0.00 0.00 179.25 177.22 2j28 h ARG 63 N -1.17 -0.00 0.61 0.00 2.47 0.12 0.22 114.38 116.64 2j28 h ARG 63 Ca -0.12 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.58 2j28 h ARG 63 Cb 0.90 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.22 2j28 h ARG 63 CO 0.18 -0.00 -0.35 0.82 0.56 0.00 0.00 179.97 181.18 2j28 h ILE 64 N -0.00 0.00 -0.04 2.04 2.04 -0.54 0.59 117.51 121.60 2j28 h ILE 64 Ca 0.45 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.32 2j28 h ILE 64 Cb 0.68 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2j28 h ILE 64 CO -0.97 0.00 0.20 -1.13 0.00 0.00 0.00 178.15 176.25 2j28 h ASN 65 N -0.90 0.00 0.16 1.72 -1.24 -0.38 -0.57 115.58 114.38 2j28 h ASN 65 Ca -0.08 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.92 2j28 h ASN 65 Cb 0.71 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.76 2j28 h ASN 65 CO 0.10 0.00 -0.08 0.00 -1.29 0.00 0.00 177.43 176.16 2j28 h ALA 66 N 1.64 -0.36 0.67 1.57 0.00 0.03 -3.28 119.26 119.53 2j28 h ALA 66 Ca 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2j28 h ALA 66 Cb 0.42 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2j28 h ALA 66 CO -0.00 -0.34 -0.43 0.00 0.00 0.00 0.00 179.25 178.47 2j28 h ALA 67 N -1.53 -1.22 -1.57 0.00 0.00 -0.32 -2.58 119.26 112.04 2j28 h ALA 67 Ca -0.02 -0.21 0.45 0.00 0.00 0.00 0.00 54.91 55.13 2j28 h ALA 67 Cb 0.16 0.56 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 2j28 h ALA 67 CO 0.04 -1.18 1.33 0.00 0.00 0.00 0.00 179.25 179.43 2j28 h ALA 68 N -1.24 3.48 0.00 0.00 0.00 -1.32 0.61 119.26 120.79 2j28 h ALA 68 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2j28 h ALA 68 Cb 0.84 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2j28 h ALA 68 CO 0.07 -2.13 0.00 -2.13 0.00 0.00 0.00 179.25 175.06 2j28 n ARG 69 N -3.65 0.40 -0.23 0.00 0.63 -0.97 -3.14 116.66 109.71 2j28 n ARG 69 Ca 0.35 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 57.24 2j28 n ARG 69 Cb 1.80 -1.09 0.06 0.00 0.45 0.00 0.00 32.46 33.68 2j28 n ARG 69 CO 0.00 0.00 0.00 -0.56 -2.51 0.00 0.00 177.63 174.56 2j28 h GLN 70 N 0.00 0.77 -0.52 -0.14 3.07 0.05 0.10 115.11 118.44 2j28 h GLN 70 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.69 2j28 h GLN 70 Cb 0.00 -0.17 0.00 0.00 0.08 0.00 0.00 27.48 27.39 2j28 h GLN 70 CO 0.00 0.51 0.00 -1.71 0.09 0.00 0.00 178.83 177.72 2j28 n ASN 71 N -4.70 3.34 0.00 0.06 2.85 -1.19 -4.94 115.26 110.68 2j28 n ASN 71 Ca 0.06 -1.97 0.00 0.00 -0.11 0.00 0.00 54.58 52.56 2j28 n ASN 71 Cb 0.08 -0.34 0.00 0.00 1.24 0.00 0.00 39.78 40.75 2j28 n ASN 71 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2j28 n GLY 72 N 1.50 2.77 5.73 8.20 0.00 0.35 -5.03 105.19 118.70 2j28 n GLY 72 Ca 0.21 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2j28 n GLY 72 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2j28 n ILE 73 N 0.00 0.00 -3.61 -0.61 0.13 -1.26 -4.25 119.36 109.76 2j28 n ILE 73 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 62.75 61.64 2j28 n ILE 73 Cb 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 38.76 2j28 n ILE 73 CO 0.00 0.00 0.00 -0.44 2.80 0.00 0.00 176.55 178.91 2j28 s SER 74 N -3.28 -1.05 0.50 9.51 0.01 -1.26 -4.93 113.70 113.20 2j28 s SER 74 Ca 0.00 1.46 0.29 0.00 1.31 0.00 0.00 55.95 59.01 2j28 s SER 74 Cb 0.00 2.17 1.38 0.00 0.21 0.00 0.00 66.02 69.78 2j28 s SER 74 CO 0.00 -0.20 1.84 0.22 0.41 0.00 0.00 173.24 175.50 2j28 h TYR 75 N 7.87 0.19 -0.67 2.43 3.20 -1.90 0.58 116.97 128.68 2j28 h TYR 75 Ca -0.18 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.62 2j28 h TYR 75 Cb 1.11 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 2j28 h TYR 75 CO 0.16 0.03 0.13 0.66 -1.64 0.00 0.00 178.16 177.50 2j28 h SER 76 N 0.13 1.03 0.09 -2.11 4.64 -2.01 -3.19 113.55 112.12 2j28 h SER 76 Ca 0.51 -0.23 -0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2j28 h SER 76 Cb 1.77 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 2j28 h SER 76 CO -0.08 1.00 -0.04 0.11 -0.87 0.00 0.00 176.83 176.95 2j28 h LYS 77 N 1.02 -0.12 0.00 4.77 1.57 -0.31 -3.18 116.57 120.31 2j28 h LYS 77 Ca 0.21 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2j28 h LYS 77 Cb 0.40 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2j28 h LYS 77 CO 0.01 0.39 0.00 0.34 -0.57 0.00 0.00 179.45 179.61 2j28 n PHE 78 N -4.88 0.00 -0.01 -1.35 -0.00 -0.24 -0.38 117.46 110.60 2j28 n PHE 78 Ca -0.08 0.00 0.21 0.00 -0.00 0.00 0.00 57.45 57.58 2j28 n PHE 78 Cb 0.28 -0.28 0.71 0.00 -0.00 0.00 0.00 39.48 40.18 2j28 n PHE 78 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2j28 h ILE 79 N 0.00 0.66 0.28 -2.13 1.08 -1.73 -0.83 117.51 114.83 2j28 h ILE 79 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 2j28 h ILE 79 Cb 0.00 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 34.45 2j28 h ILE 79 CO 0.00 0.00 -0.13 -1.13 -0.69 0.00 0.00 178.15 176.20 2j28 h ASN 80 N 0.00 -0.32 0.24 1.72 -0.00 -0.69 0.18 115.58 116.72 2j28 h ASN 80 Ca 0.27 -0.08 -0.01 0.00 -0.00 0.00 0.00 56.30 56.47 2j28 h ASN 80 Cb 1.11 0.08 0.00 0.00 -0.00 0.00 0.00 38.32 39.52 2j28 h ASN 80 CO -0.00 -0.11 -0.12 1.23 -0.00 0.00 0.00 177.43 178.43 2j28 h GLY 81 N -0.51 -0.34 1.62 1.57 0.00 -0.23 -2.01 103.07 103.16 2j28 h GLY 81 Ca -0.04 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2j28 h GLY 81 CO 0.06 -0.12 0.14 -0.10 0.00 0.00 0.00 176.54 176.52 2j28 n LEU 82 N -5.15 0.47 -0.06 3.11 0.00 -0.40 0.37 117.00 115.34 2j28 n LEU 82 Ca -0.09 0.67 -0.03 0.00 0.00 0.00 0.00 56.01 56.56 2j28 n LEU 82 Cb 0.21 -0.69 -0.02 0.00 0.00 0.00 0.00 43.42 42.92 2j28 n LEU 82 CO 0.33 -0.83 -0.09 0.50 0.00 0.00 0.00 177.39 177.29 2j28 h LYS 83 N 0.00 0.00 0.00 1.96 3.64 0.10 -3.27 116.57 119.00 2j28 h LYS 83 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2j28 h LYS 83 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2j28 h LYS 83 CO 0.00 0.11 0.00 0.36 -2.27 0.00 0.00 179.45 177.65 2j28 n LYS 84 N -4.70 0.81 0.00 1.90 2.85 -0.87 -4.69 118.16 113.44 2j28 n LYS 84 Ca -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 2j28 n LYS 84 Cb 0.14 -1.05 0.00 0.00 -0.65 0.00 0.00 35.03 33.47 2j28 n LYS 84 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2j28 n ALA 85 N -0.55 0.00 -1.00 0.58 0.00 0.16 -5.04 120.51 114.66 2j28 n ALA 85 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2j28 n ALA 85 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 2j28 n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2j28 n SER 86 N 0.00 0.00 -1.16 0.00 2.88 -1.26 -4.72 113.62 109.35 2j28 n SER 86 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2j28 n SER 86 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2j28 n SER 86 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2j28 n VAL 87 N -0.49 0.89 0.00 2.46 0.31 -1.26 -4.64 118.33 115.60 2j28 n VAL 87 Ca 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2j28 n VAL 87 Cb 0.00 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 2j28 n VAL 87 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2j28 n GLU 88 N 0.90 0.00 0.00 5.55 -0.58 -1.26 -4.64 120.64 120.61 2j28 n GLU 88 Ca 0.00 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2j28 n GLU 88 Cb 0.36 -1.74 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 2j28 n GLU 88 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2j28 n ILE 89 N -0.92 0.00 -3.12 -3.67 -0.00 -1.26 -3.73 119.36 106.67 2j28 n ILE 89 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 62.75 62.30 2j28 n ILE 89 Cb 0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 39.86 2j28 n ILE 89 CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 2j28 s ASP 90 N -3.51 6.65 0.00 4.38 1.01 -1.26 -4.70 116.67 119.24 2j28 s ASP 90 Ca 0.00 -2.28 0.01 0.00 0.71 0.00 0.00 52.55 50.99 2j28 s ASP 90 Cb 0.00 -2.31 0.01 0.00 1.01 0.00 0.00 42.92 41.63 2j28 s ASP 90 CO 0.00 -0.86 0.66 -2.11 0.21 0.00 0.00 175.17 173.08 2j28 n ARG 91 N 5.41 0.19 -3.98 8.23 0.00 -1.24 -5.01 116.66 120.27 2j28 n ARG 91 Ca 0.17 -0.82 -0.24 0.00 -0.00 0.00 0.00 57.85 56.96 2j28 n ARG 91 Cb 0.48 -1.02 -0.03 0.00 -0.00 0.00 0.00 32.46 31.89 2j28 n ARG 91 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2j28 s LYS 92 N -0.33 3.36 0.00 2.89 -0.14 -1.26 -4.39 119.74 119.87 2j28 s LYS 92 Ca 0.01 -0.72 0.00 0.00 -1.36 0.00 0.00 55.97 53.90 2j28 s LYS 92 Cb 0.01 -2.88 0.00 0.00 -1.68 0.00 0.00 37.83 33.28 2j28 s LYS 92 CO 0.01 0.47 0.00 0.44 -0.76 0.00 0.00 175.35 175.51 2j28 n ILE 93 N -0.92 0.00 0.68 2.17 -6.64 -1.26 -4.63 119.36 108.75 2j28 n ILE 93 Ca -0.08 0.00 0.06 0.00 -1.77 0.00 0.00 62.75 60.96 2j28 n ILE 93 Cb 0.56 0.00 0.34 0.00 -1.44 0.00 0.00 39.64 39.10 2j28 n ILE 93 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2j28 n LEU 94 N 0.00 0.00 0.00 7.28 -0.00 -1.26 -3.64 117.00 119.38 2j28 n LEU 94 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 56.01 56.19 2j28 n LEU 94 Cb 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 43.42 43.24 2j28 n LEU 94 CO 0.00 -0.11 0.48 0.00 -0.00 0.00 0.00 177.39 177.77 2j28 n ALA 95 N -1.18 -0.29 0.06 1.47 0.00 -1.26 0.18 120.51 119.49 2j28 n ALA 95 Ca 0.07 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.67 2j28 n ALA 95 Cb 0.08 0.19 0.66 0.00 0.00 0.00 0.00 19.45 20.37 2j28 n ALA 95 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2j28 h ASP 96 N 0.00 0.04 -0.13 0.00 3.32 -1.86 0.29 116.42 118.08 2j28 h ASP 96 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 2j28 h ASP 96 Cb 0.00 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2j28 h ASP 96 CO 0.00 0.02 -0.39 0.40 -1.72 0.00 0.00 179.24 177.56 2j28 h ILE 97 N 0.04 1.29 0.00 0.35 1.08 -1.53 -2.12 117.51 116.63 2j28 h ILE 97 Ca 0.19 -1.55 -0.01 0.00 -0.39 0.00 0.00 64.86 63.09 2j28 h ILE 97 Cb 0.69 1.49 -0.00 0.00 -3.07 0.00 0.00 36.82 35.93 2j28 h ILE 97 CO -0.01 0.50 -0.07 0.00 -0.69 0.00 0.00 178.15 177.88 2j28 h ALA 98 N 1.03 1.63 0.00 1.87 0.00 0.57 0.23 119.26 124.59 2j28 h ALA 98 Ca 0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2j28 h ALA 98 Cb 0.91 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2j28 h ALA 98 CO 0.08 0.08 -0.21 0.28 0.00 0.00 0.00 179.25 179.49 2j28 h VAL 99 N 0.00 0.66 -0.04 0.00 2.07 -0.78 -2.06 116.25 116.11 2j28 h VAL 99 Ca -0.00 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2j28 h VAL 99 Cb 0.14 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2j28 h VAL 99 CO 0.01 0.20 0.00 0.49 0.02 0.00 0.00 177.57 178.29 2j28 n PHE 100 N -3.58 0.05 -2.68 1.57 3.72 0.81 -4.51 117.46 112.83 2j28 n PHE 100 Ca -0.01 -0.02 -0.05 0.00 -0.05 0.00 0.00 57.45 57.32 2j28 n PHE 100 Cb 0.35 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.95 2j28 n PHE 100 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2j28 n ASP 101 N -0.51 -1.60 0.06 4.37 -0.08 -0.78 -5.03 116.55 112.97 2j28 n ASP 101 Ca 0.17 -1.84 -0.14 0.00 -1.51 0.00 0.00 54.79 51.46 2j28 n ASP 101 Cb 0.15 0.89 -0.08 0.00 2.34 0.00 0.00 41.12 44.42 2j28 n ASP 101 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2j28 h LYS 102 N 3.52 -0.60 -0.99 -0.67 1.79 -1.76 0.11 116.57 117.98 2j28 h LYS 102 Ca -0.17 0.04 0.35 0.00 -2.18 0.00 0.00 60.65 58.69 2j28 h LYS 102 Cb 1.17 0.14 -0.17 0.00 -1.58 0.00 0.00 32.23 31.79 2j28 h LYS 102 CO -0.10 -0.40 0.42 -0.39 -1.08 0.00 0.00 179.45 177.89 2j28 h VAL 103 N -0.62 0.10 0.01 0.50 -1.51 -1.96 1.90 116.25 114.67 2j28 h VAL 103 Ca 0.03 -0.03 -0.14 0.00 -1.23 0.00 0.00 66.70 65.33 2j28 h VAL 103 Cb 0.69 -0.00 0.01 0.00 -2.13 0.00 0.00 31.29 29.86 2j28 h VAL 103 CO -0.33 0.02 -0.56 0.00 -1.23 0.00 0.00 177.57 175.47 2j28 h ALA 104 N 1.94 0.06 0.00 5.19 0.00 -1.59 -3.36 119.26 121.50 2j28 h ALA 104 Ca 0.75 -0.56 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 2j28 h ALA 104 Cb 1.81 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.60 2j28 h ALA 104 CO -0.75 0.31 -1.24 0.74 0.00 0.00 0.00 179.25 178.31 2j28 h PHE 105 N -0.19 0.00 -0.07 0.00 -1.00 0.18 -3.29 116.94 112.57 2j28 h PHE 105 Ca -0.07 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.73 2j28 h PHE 105 Cb 1.29 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.85 2j28 h PHE 105 CO 0.16 0.78 0.07 0.00 -1.61 0.00 0.00 178.31 177.71 2j28 h THR 106 N 0.00 0.57 -0.47 -1.55 1.03 0.27 0.21 112.91 112.96 2j28 h THR 106 Ca -0.13 0.00 -0.09 0.00 -0.01 0.00 0.00 66.41 66.17 2j28 h THR 106 Cb 1.71 0.94 -0.02 0.00 -1.07 0.00 0.00 68.15 69.72 2j28 h THR 106 CO 0.08 0.00 -0.07 0.00 -0.01 0.00 0.00 175.52 175.52 2j28 h ALA 107 N 1.92 0.65 -0.82 0.00 0.00 -1.71 -2.54 119.26 116.77 2j28 h ALA 107 Ca 0.03 -0.32 0.18 0.00 0.00 0.00 0.00 54.91 54.81 2j28 h ALA 107 Cb 0.18 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2j28 h ALA 107 CO -0.00 0.51 0.55 1.25 0.00 0.00 0.00 179.25 181.56 2j28 h LEU 108 N 0.73 0.35 -1.21 0.00 5.85 -1.09 0.31 115.31 120.25 2j28 h LEU 108 Ca 0.13 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2j28 h LEU 108 Cb 0.60 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 2j28 h LEU 108 CO 0.04 0.16 0.50 0.58 -0.34 0.00 0.00 178.44 179.38 2j28 h VAL 109 N 0.36 1.20 -0.22 1.05 2.07 -1.37 -2.58 116.25 116.77 2j28 h VAL 109 Ca 0.41 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 2j28 h VAL 109 Cb 1.06 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2j28 h VAL 109 CO -0.13 0.20 0.13 -0.33 0.02 0.00 0.00 177.57 177.47 2j28 h GLU 110 N 1.05 0.29 0.23 1.57 4.39 -0.40 0.97 114.58 122.69 2j28 h GLU 110 Ca 0.28 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 2j28 h GLU 110 Cb -0.10 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 2j28 h GLU 110 CO -0.06 0.23 -0.17 0.87 -1.16 0.00 0.00 179.01 178.73 2j28 h LYS 111 N 0.27 -0.38 -0.63 2.33 1.57 -1.43 -2.07 116.57 116.23 2j28 h LYS 111 Ca 0.08 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2j28 h LYS 111 Cb 0.01 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2j28 h LYS 111 CO -0.02 -0.25 0.41 0.00 -0.57 0.00 0.00 179.45 179.02 2j28 h ALA 112 N 0.35 0.80 -0.64 3.86 0.00 -1.32 -2.26 119.26 120.06 2j28 h ALA 112 Ca -0.01 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.04 2j28 h ALA 112 Cb 0.35 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2j28 h ALA 112 CO -0.00 0.20 0.53 -0.22 0.00 0.00 0.00 179.25 179.75 2j28 h LYS 113 N 0.82 0.00 -2.06 0.00 1.63 0.15 -2.66 116.57 114.45 2j28 h LYS 113 Ca 0.24 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.92 2j28 h LYS 113 Cb -0.06 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.53 2j28 h LYS 113 CO -0.07 0.00 -0.20 0.00 -3.45 0.00 0.00 179.45 175.73 2j28 n ALA 114 N -2.54 5.16 -0.08 5.00 0.00 -0.83 -4.57 120.51 122.65 2j28 n ALA 114 Ca 0.12 -1.08 0.18 0.00 0.00 0.00 0.00 53.44 52.66 2j28 n ALA 114 Cb 0.77 -1.88 0.60 0.00 0.00 0.00 0.00 19.45 18.94 2j28 n ALA 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j28 h ALA 115 N 2.55 2.31 -2.42 0.00 0.00 -1.70 -3.42 119.26 116.59 2j28 h ALA 115 Ca 0.11 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 54.43 2j28 h ALA 115 Cb 1.22 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 2j28 h ALA 115 CO 0.16 -0.48 0.34 -0.51 0.00 0.00 0.00 179.25 178.76 2j28 s LEU 116 N -9.05 4.17 0.00 0.00 2.01 -1.26 -5.02 118.68 109.54 2j28 s LEU 116 Ca -0.06 1.13 0.04 0.00 0.01 0.00 0.00 54.13 55.24 2j28 s LEU 116 Cb 0.20 -3.18 0.22 0.00 0.01 0.00 0.00 46.19 43.44 2j28 s LEU 116 CO 0.75 -0.37 0.70 0.00 1.01 0.00 0.00 176.35 178.44