#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mhh n THR 5 N 0.00 0.00 0.33 2.12 -2.24 -1.26 -5.04 114.28 108.19 3mhh n THR 5 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 3mhh n THR 5 Cb 0.00 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.30 3mhh n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mhh n ALA 6 N -3.00 3.34 0.82 6.98 0.00 -1.26 -3.43 120.51 123.97 3mhh n ALA 6 Ca 0.00 -0.83 0.11 0.00 0.00 0.00 0.00 53.44 52.72 3mhh n ALA 6 Cb 0.00 -1.12 0.11 0.00 0.00 0.00 0.00 19.45 18.45 3mhh n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mhh n GLN 7 N 0.04 2.18 -0.26 0.00 10.64 -1.26 -4.38 117.38 124.33 3mhh n GLN 7 Ca 0.16 -1.91 -0.01 0.00 -1.83 0.00 0.00 57.00 53.41 3mhh n GLN 7 Cb 0.79 -1.44 0.11 0.00 -0.86 0.00 0.00 30.24 28.84 3mhh n GLN 7 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 3mhh h LEU 8 N 4.39 0.68 0.06 2.61 5.85 -1.99 -1.40 115.31 125.50 3mhh h LEU 8 Ca 0.00 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3mhh h LEU 8 Cb 0.94 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.85 3mhh h LEU 8 CO 0.00 0.44 -0.03 0.50 -0.34 0.00 0.00 178.44 179.01 3mhh h LYS 9 N 0.81 -0.08 -0.85 1.25 3.64 -1.89 -1.98 116.57 117.48 3mhh h LYS 9 Ca 0.32 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.75 3mhh h LYS 9 Cb 0.15 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 3mhh h LYS 9 CO -0.16 0.31 0.54 0.66 -2.27 0.00 0.00 179.45 178.52 3mhh h SER 10 N -0.49 0.87 -0.73 4.20 4.64 -1.81 -1.48 113.55 118.75 3mhh h SER 10 Ca -0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3mhh h SER 10 Cb 0.43 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 3mhh h SER 10 CO 0.01 0.58 0.35 1.56 -0.87 0.00 0.00 176.83 178.46 3mhh h GLN 11 N 1.02 1.05 -0.57 4.77 4.20 -1.16 0.19 115.11 124.60 3mhh h GLN 11 Ca 0.35 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.82 3mhh h GLN 11 Cb 0.07 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 3mhh h GLN 11 CO -0.14 0.82 0.03 0.82 -0.67 0.00 0.00 178.83 179.70 3mhh h ILE 12 N 1.02 1.26 -0.47 2.54 2.04 -1.08 -2.25 117.51 120.57 3mhh h ILE 12 Ca 0.25 -1.07 -0.06 0.00 1.00 0.00 0.00 64.86 64.98 3mhh h ILE 12 Cb 0.12 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3mhh h ILE 12 CO -0.03 0.39 0.05 1.56 0.00 0.00 0.00 178.15 180.11 3mhh h GLN 13 N 0.87 0.75 -0.77 2.37 4.20 -0.64 -0.04 115.11 121.84 3mhh h GLN 13 Ca 0.17 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 3mhh h GLN 13 Cb 0.50 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 3mhh h GLN 13 CO 0.02 0.73 0.31 0.37 -0.67 0.00 0.00 178.83 179.60 3mhh h GLN 14 N 0.71 1.15 -0.36 1.46 5.75 -0.78 -0.28 115.11 122.77 3mhh h GLN 14 Ca 0.15 -0.20 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 3mhh h GLN 14 Cb 0.37 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 3mhh h GLN 14 CO 0.01 0.93 0.06 -0.92 -2.65 0.00 0.00 178.83 176.26 3mhh h TYR 15 N 1.12 0.64 -0.35 3.99 3.20 -0.74 -1.48 116.97 123.35 3mhh h TYR 15 Ca 0.26 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3mhh h TYR 15 Cb 0.20 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 3mhh h TYR 15 CO 0.02 0.65 0.22 -0.07 -1.64 0.00 0.00 178.16 177.34 3mhh h LEU 16 N 0.44 0.41 0.02 2.82 3.38 -0.57 0.73 115.31 122.54 3mhh h LEU 16 Ca 0.11 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3mhh h LEU 16 Cb 0.36 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3mhh h LEU 16 CO 0.01 0.32 -0.01 0.58 0.09 0.00 0.00 178.44 179.42 3mhh h VAL 17 N 0.46 1.06 -0.37 1.22 2.07 -1.03 0.99 116.25 120.65 3mhh h VAL 17 Ca 0.13 -0.27 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 3mhh h VAL 17 Cb -0.03 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3mhh h VAL 17 CO -0.03 0.07 -0.16 -0.33 0.02 0.00 0.00 177.57 177.14 3mhh h GLU 18 N -0.15 0.68 0.00 1.57 5.08 -1.02 -2.24 114.58 118.49 3mhh h GLU 18 Ca -0.00 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3mhh h GLU 18 Cb 0.14 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3mhh h GLU 18 CO 0.01 0.81 0.00 0.66 -1.00 0.00 0.00 179.01 179.48 3mhh h SER 19 N 0.61 0.00 0.00 1.42 4.64 -0.83 -3.46 113.55 115.93 3mhh h SER 19 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3mhh h SER 19 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3mhh h SER 19 CO 0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 3mhh n GLY 20 N 0.14 0.69 0.12 -0.77 0.00 -0.84 -4.96 105.19 99.57 3mhh n GLY 20 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 3mhh n GLY 20 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3mhh h ASN 21 N 0.00 0.00 -0.32 1.61 2.35 -1.08 -3.28 115.58 114.87 3mhh h ASN 21 Ca 0.00 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.58 3mhh h ASN 21 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3mhh h ASN 21 CO 0.00 0.01 -0.39 0.22 -1.65 0.00 0.00 177.43 175.62 3mhh h TYR 22 N 0.00 1.01 -0.36 1.19 3.20 -1.51 -1.84 116.97 118.66 3mhh h TYR 22 Ca 0.00 -0.32 0.06 0.00 3.14 0.00 0.00 58.73 61.61 3mhh h TYR 22 Cb 0.98 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.98 3mhh h TYR 22 CO 0.00 1.12 0.02 0.93 -1.64 0.00 0.00 178.16 178.59 3mhh h GLU 23 N 0.61 0.12 -0.68 1.82 5.08 -1.83 0.12 114.58 119.82 3mhh h GLU 23 Ca 0.04 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3mhh h GLU 23 Cb 0.99 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 3mhh h GLU 23 CO 0.09 0.08 0.35 -0.07 -1.00 0.00 0.00 179.01 178.46 3mhh h LEU 24 N 0.12 0.86 -0.19 1.33 3.38 -1.56 0.13 115.31 119.38 3mhh h LEU 24 Ca 0.18 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3mhh h LEU 24 Cb 0.24 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3mhh h LEU 24 CO -0.28 0.73 -0.08 0.40 0.09 0.00 0.00 178.44 179.30 3mhh h ILE 25 N 0.93 1.30 -0.33 1.22 2.04 -0.95 -0.77 117.51 120.95 3mhh h ILE 25 Ca 0.24 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 3mhh h ILE 25 Cb 0.07 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 3mhh h ILE 25 CO -0.03 0.33 0.18 -1.28 0.00 0.00 0.00 178.15 177.35 3mhh h SER 26 N 0.08 0.42 -0.28 1.72 0.87 -0.52 -0.89 113.55 114.94 3mhh h SER 26 Ca 0.04 -0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.44 3mhh h SER 26 Cb 0.55 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 3mhh h SER 26 CO 0.02 0.39 -0.03 0.78 -0.53 0.00 0.00 176.83 177.47 3mhh h ASN 27 N 0.41 0.61 -0.22 6.23 -0.26 -0.65 -1.22 115.58 120.49 3mhh h ASN 27 Ca 0.12 -0.14 -0.14 0.00 -0.56 0.00 0.00 56.30 55.57 3mhh h ASN 27 Cb 0.07 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.17 3mhh h ASN 27 CO -0.02 0.70 -0.43 -0.08 -1.06 0.00 0.00 177.43 176.55 3mhh h GLU 28 N 0.60 0.68 -0.24 0.81 4.57 -0.85 0.00 114.58 120.15 3mhh h GLU 28 Ca 0.12 -0.44 -0.02 0.00 -1.18 0.00 0.00 59.36 57.84 3mhh h GLU 28 Cb 0.43 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 3mhh h GLU 28 CO 0.02 1.06 0.07 1.25 -1.18 0.00 0.00 179.01 180.22 3mhh h LEU 29 N 0.38 0.36 0.28 1.64 5.85 -0.97 -1.44 115.31 121.42 3mhh h LEU 29 Ca 0.01 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 3mhh h LEU 29 Cb 1.03 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 3mhh h LEU 29 CO 0.10 0.48 -0.18 0.11 -0.34 0.00 0.00 178.44 178.61 3mhh h LYS 30 N 0.22 -0.43 -0.66 1.25 1.57 -1.17 -0.68 116.57 116.67 3mhh h LYS 30 Ca 0.08 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.02 3mhh h LYS 30 Cb 0.26 0.10 -0.12 0.00 0.08 0.00 0.00 32.23 32.54 3mhh h LYS 30 CO -0.00 -0.29 -0.13 0.00 -0.57 0.00 0.00 179.45 178.46 3mhh h ALA 31 N 0.26 0.49 -0.23 3.86 0.00 -0.83 0.27 119.26 123.07 3mhh h ALA 31 Ca -0.03 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3mhh h ALA 31 Cb 0.37 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3mhh h ALA 31 CO 0.03 -0.42 0.02 0.00 0.00 0.00 0.00 179.25 178.87 3mhh h ARG 32 N 0.02 0.39 -0.51 0.00 3.08 -1.07 -1.28 114.38 115.01 3mhh h ARG 32 Ca 0.33 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 60.17 3mhh h ARG 32 Cb 0.51 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3mhh h ARG 32 CO -0.66 0.55 -0.04 -0.07 -1.07 0.00 0.00 179.97 178.68 3mhh h LEU 33 N 0.17 0.88 0.02 3.04 3.38 -0.42 0.12 115.31 122.50 3mhh h LEU 33 Ca 0.07 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3mhh h LEU 33 Cb 0.37 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3mhh h LEU 33 CO 0.01 0.97 -0.01 0.25 0.09 0.00 0.00 178.44 179.74 3mhh h LEU 34 N 0.82 -0.03 -0.83 1.67 5.85 -0.95 -0.57 115.31 121.27 3mhh h LEU 34 Ca 0.15 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 3mhh h LEU 34 Cb 0.55 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3mhh h LEU 34 CO 0.03 0.07 -0.28 1.56 -0.34 0.00 0.00 178.44 179.48 3mhh h GLN 35 N -0.12 0.56 -0.01 1.25 4.20 -0.69 -2.56 115.11 117.74 3mhh h GLN 35 Ca -0.00 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.48 3mhh h GLN 35 Cb 0.11 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3mhh h GLN 35 CO 0.01 0.78 0.00 -0.85 -0.67 0.00 0.00 178.83 178.10 3mhh n GLU 36 N -4.10 1.11 -0.40 1.46 0.28 -0.02 -4.89 120.64 114.09 3mhh n GLU 36 Ca -0.01 -0.16 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 3mhh n GLU 36 Cb 0.44 -1.41 0.00 0.00 1.43 0.00 0.00 31.44 31.89 3mhh n GLU 36 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3mhh n GLY 37 N 0.94 0.72 0.27 -1.84 0.00 -0.96 -4.98 105.19 99.35 3mhh n GLY 37 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 3mhh n GLY 37 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3mhh h TRP 38 N 0.00 1.07 -0.43 1.61 7.01 -1.30 -1.72 115.95 122.20 3mhh h TRP 38 Ca 0.00 -0.28 0.03 0.00 2.11 0.00 0.00 58.89 60.75 3mhh h TRP 38 Cb 0.00 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 26.78 3mhh h TRP 38 CO 0.00 1.09 0.23 0.28 -2.79 0.00 0.00 178.44 177.25 3mhh h VAL 39 N 0.78 1.00 0.00 2.65 2.07 -1.81 -0.58 116.25 120.36 3mhh h VAL 39 Ca 0.09 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 3mhh h VAL 39 Cb 0.86 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3mhh h VAL 39 CO 0.08 0.08 -0.45 0.44 0.02 0.00 0.00 177.57 177.74 3mhh h ASP 40 N 0.47 0.00 -0.31 0.57 3.32 -1.87 -2.38 116.42 116.22 3mhh h ASP 40 Ca 0.18 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3mhh h ASP 40 Cb 0.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3mhh h ASP 40 CO -0.11 0.45 0.15 0.11 -1.72 0.00 0.00 179.24 178.12 3mhh h LYS 41 N 0.00 0.44 -0.14 3.56 6.56 -0.79 -2.09 116.57 124.11 3mhh h LYS 41 Ca -0.00 -0.07 -0.11 0.00 -1.06 0.00 0.00 60.65 59.41 3mhh h LYS 41 Cb 1.13 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.70 3mhh h LYS 41 CO 0.06 0.42 -0.40 0.28 -2.06 0.00 0.00 179.45 177.74 3mhh h VAL 42 N 0.36 1.31 -0.42 0.50 2.07 -0.83 0.31 116.25 119.55 3mhh h VAL 42 Ca 0.11 -1.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.07 3mhh h VAL 42 Cb 0.12 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3mhh h VAL 42 CO -0.01 0.46 0.09 0.11 0.02 0.00 0.00 177.57 178.24 3mhh h LYS 43 N 0.27 0.67 -0.26 1.57 1.57 -1.39 -0.48 116.57 118.52 3mhh h LYS 43 Ca 0.03 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3mhh h LYS 43 Cb 0.82 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 3mhh h LYS 43 CO 0.07 0.70 0.15 -0.44 -0.57 0.00 0.00 179.45 179.35 3mhh h ASP 44 N 0.54 0.33 -0.74 0.86 3.32 -0.97 -1.16 116.42 118.59 3mhh h ASP 44 Ca 0.13 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3mhh h ASP 44 Cb 0.34 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 3mhh h ASP 44 CO 0.00 0.31 0.39 0.25 -1.72 0.00 0.00 179.24 178.47 3mhh h LEU 45 N 0.32 0.95 -0.07 1.55 5.85 -0.82 0.10 115.31 123.19 3mhh h LEU 45 Ca 0.09 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3mhh h LEU 45 Cb 0.05 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 3mhh h LEU 45 CO -0.02 0.78 0.01 0.74 -0.34 0.00 0.00 178.44 179.62 3mhh h THR 46 N 1.06 1.22 -0.87 1.05 2.02 -0.86 -0.00 112.91 116.52 3mhh h THR 46 Ca 0.26 -0.67 0.08 0.00 0.77 0.00 0.00 66.41 66.85 3mhh h THR 46 Cb 0.06 1.53 -0.07 0.00 -1.74 0.00 0.00 68.15 67.93 3mhh h THR 46 CO -0.04 0.19 0.53 0.11 0.37 0.00 0.00 175.52 176.68 3mhh h LYS 47 N -0.12 0.89 -0.56 6.66 1.57 -0.55 0.07 116.57 124.53 3mhh h LYS 47 Ca 0.02 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 3mhh h LYS 47 Cb 0.29 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3mhh h LYS 47 CO 0.00 0.59 -0.08 1.03 -0.57 0.00 0.00 179.45 180.42 3mhh h SER 48 N 0.92 1.05 0.40 0.86 0.87 -0.61 -2.19 113.55 114.85 3mhh h SER 48 Ca 0.40 -0.34 -0.10 0.00 -1.23 0.00 0.00 61.79 60.52 3mhh h SER 48 Cb 0.28 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 3mhh h SER 48 CO -0.21 1.14 -0.46 -0.33 -0.53 0.00 0.00 176.83 176.44 3mhh h GLU 49 N 0.94 0.08 0.11 2.24 4.39 -0.12 -0.56 114.58 121.66 3mhh h GLU 49 Ca 0.15 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 3mhh h GLU 49 Cb 0.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 3mhh h GLU 49 CO 0.05 0.53 -0.05 0.52 -1.16 0.00 0.00 179.01 178.89 3mhh h MET 50 N 0.07 -0.14 -0.33 2.33 2.86 -0.60 -1.62 114.93 117.49 3mhh h MET 50 Ca 0.00 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 3mhh h MET 50 Cb 0.84 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.50 3mhh h MET 50 CO 0.06 0.05 0.11 -0.97 1.06 0.00 0.00 176.91 177.22 3mhh h ASN 51 N -0.30 0.10 -0.74 1.22 -0.73 -1.24 0.45 115.58 114.34 3mhh h ASN 51 Ca -0.01 0.04 0.06 0.00 1.87 0.00 0.00 56.30 58.25 3mhh h ASN 51 Cb 0.25 0.03 -0.06 0.00 0.27 0.00 0.00 38.32 38.81 3mhh h ASN 51 CO 0.02 0.10 0.44 0.40 -0.37 0.00 0.00 177.43 178.02 3mhh h ILE 52 N 0.24 1.00 -0.02 2.57 2.04 -1.01 -2.78 117.51 119.55 3mhh h ILE 52 Ca 0.15 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3mhh h ILE 52 Cb 0.13 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3mhh h ILE 52 CO -0.16 0.15 -0.19 0.59 0.00 0.00 0.00 178.15 178.53 3mhh n ASN 53 N -4.72 2.44 -3.82 1.72 5.03 -0.62 -4.97 115.26 110.32 3mhh n ASN 53 Ca 0.10 -1.73 -0.25 0.00 0.87 0.00 0.00 54.58 53.56 3mhh n ASN 53 Cb 0.17 0.18 0.02 0.00 -1.02 0.00 0.00 39.78 39.14 3mhh n ASN 53 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3mhh n GLU 54 N 0.67 -4.81 -3.79 3.52 1.02 0.15 -4.97 120.64 112.43 3mhh n GLU 54 Ca 0.13 0.57 -0.13 0.00 -0.02 0.00 0.00 57.16 57.71 3mhh n GLU 54 Cb 0.52 -5.18 -0.09 0.00 -0.02 0.00 0.00 31.44 26.68 3mhh n GLU 54 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3mhh s SER 55 N -3.99 -0.14 0.00 1.62 0.15 -0.95 -5.02 113.70 105.38 3mhh s SER 55 Ca 0.24 0.00 0.04 0.00 0.70 0.00 0.00 55.95 56.93 3mhh s SER 55 Cb -0.12 0.29 0.11 0.00 -1.71 0.00 0.00 66.02 64.58 3mhh s SER 55 CO 0.83 -0.44 1.03 0.35 1.20 0.00 0.00 173.24 176.22 3mhh n THR 56 N 1.29 0.86 -1.70 6.45 -2.24 -1.26 -4.50 114.28 113.17 3mhh n THR 56 Ca -0.22 -0.93 -0.42 0.00 -2.27 0.00 0.00 64.05 60.21 3mhh n THR 56 Cb 0.56 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 3mhh n THR 56 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3mhh s ASN 57 N -0.91 6.08 0.14 3.42 2.47 -1.26 -4.90 114.94 119.98 3mhh s ASN 57 Ca 0.08 2.28 -0.22 0.00 0.42 0.00 0.00 52.86 55.42 3mhh s ASN 57 Cb 0.05 -2.52 0.01 0.00 -1.45 0.00 0.00 41.25 37.33 3mhh s ASN 57 CO 0.06 -1.40 1.65 0.15 -3.72 0.00 0.00 177.10 173.83 3mhh h PHE 58 N 12.22 -0.53 -0.17 0.43 3.57 -1.98 -0.10 116.94 130.38 3mhh h PHE 58 Ca -0.45 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.11 3mhh h PHE 58 Cb 1.23 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 40.20 3mhh h PHE 58 CO 0.94 -0.28 -0.01 1.15 -2.23 0.00 0.00 178.31 177.88 3mhh h THR 59 N -0.23 0.87 -0.01 4.41 2.02 -1.99 0.34 112.91 118.32 3mhh h THR 59 Ca 0.12 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 67.30 3mhh h THR 59 Cb 0.41 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 3mhh h THR 59 CO -0.32 0.01 -0.08 -0.61 0.37 0.00 0.00 175.52 174.89 3mhh h GLN 60 N 0.04 -0.13 -0.59 6.66 4.15 -1.90 -2.62 115.11 120.72 3mhh h GLN 60 Ca 0.08 0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.42 3mhh h GLN 60 Cb 0.10 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 3mhh h GLN 60 CO -0.14 -0.09 0.02 0.82 -1.93 0.00 0.00 178.83 177.51 3mhh h ILE 61 N -0.13 1.26 -0.90 2.39 1.08 -0.63 -2.76 117.51 117.82 3mhh h ILE 61 Ca 0.04 -1.12 0.08 0.00 -0.39 0.00 0.00 64.86 63.47 3mhh h ILE 61 Cb 0.18 0.82 -0.07 0.00 -3.07 0.00 0.00 36.82 34.68 3mhh h ILE 61 CO -0.09 0.41 0.55 0.25 -0.69 0.00 0.00 178.15 178.58 3mhh h LEU 62 N 0.93 0.84 -1.90 1.44 5.85 -0.18 -2.07 115.31 120.22 3mhh h LEU 62 Ca 0.17 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3mhh h LEU 62 Cb 0.53 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3mhh h LEU 62 CO 0.03 0.51 0.00 0.77 -0.34 0.00 0.00 178.44 179.41 3mhh h SER 63 N 0.96 0.00 0.00 1.25 4.64 -1.16 -0.22 113.55 119.02 3mhh h SER 63 Ca 0.41 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.59 3mhh h SER 63 Cb 0.27 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 3mhh h SER 63 CO -0.21 0.00 -2.08 0.35 -0.87 0.00 0.00 176.83 174.03 3mhh n THR 64 N -2.91 0.54 -0.08 2.95 -2.24 -0.83 -4.61 114.28 107.10 3mhh n THR 64 Ca -0.01 -0.60 -0.15 0.00 -2.27 0.00 0.00 64.05 61.02 3mhh n THR 64 Cb 0.19 -0.19 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 3mhh n THR 64 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3mhh h VAL 65 N 0.00 1.33 0.11 2.28 2.07 -0.81 -3.37 116.25 117.85 3mhh h VAL 65 Ca -0.22 -2.15 0.01 0.00 0.82 0.00 0.00 66.70 65.17 3mhh h VAL 65 Cb 1.45 2.66 -0.04 0.00 -1.52 0.00 0.00 31.29 33.84 3mhh h VAL 65 CO 0.01 0.45 -0.42 -0.08 0.02 0.00 0.00 177.57 177.55 3mhh h GLU 66 N -1.00 -0.59 -0.72 1.57 4.81 -1.32 0.62 114.58 117.95 3mhh h GLU 66 Ca -0.11 0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.31 3mhh h GLU 66 Cb 1.00 0.13 -0.14 0.00 0.63 0.00 0.00 28.75 30.38 3mhh h GLU 66 CO -0.07 -0.39 -0.17 -1.35 -0.73 0.00 0.00 179.01 176.30 3mhh h PRO 67 N -0.61 0.00 -0.67 0.92 0.11 -1.80 0.19 132.00 130.15 3mhh h PRO 67 Ca -0.01 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3mhh h PRO 67 Cb 0.61 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.69 3mhh h PRO 67 CO -0.22 0.00 0.42 0.87 -0.21 0.00 0.00 178.00 178.86 3mhh h LYS 68 N 0.00 0.89 -0.43 1.05 1.57 -1.52 -2.72 116.57 115.42 3mhh h LYS 68 Ca 0.35 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 59.00 3mhh h LYS 68 Cb 0.54 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3mhh h LYS 68 CO -0.74 0.61 0.03 0.00 -0.57 0.00 0.00 179.45 178.78 3mhh h ALA 69 N 1.23 0.57 -0.97 3.86 0.00 0.27 -2.13 119.26 122.08 3mhh h ALA 69 Ca 0.24 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3mhh h ALA 69 Cb -0.07 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.49 3mhh h ALA 69 CO -0.05 0.33 0.62 -0.07 0.00 0.00 0.00 179.25 180.08 3mhh h LEU 70 N 0.58 0.94 -0.86 0.00 3.38 -0.68 -2.68 115.31 115.99 3mhh h LEU 70 Ca 0.13 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 3mhh h LEU 70 Cb 0.44 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3mhh h LEU 70 CO 0.02 0.56 -0.46 -0.08 0.09 0.00 0.00 178.44 178.57 3mhh h GLU 71 N 1.04 0.00 0.00 1.13 4.81 -1.09 -3.02 114.58 117.46 3mhh h GLU 71 Ca 0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 3mhh h GLU 71 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3mhh h GLU 71 CO -0.20 0.46 0.00 -1.33 -0.73 0.00 0.00 179.01 177.21 3mhh n MET 72 N -3.62 0.11 -1.70 1.92 2.81 -0.86 -4.79 117.12 111.00 3mhh n MET 72 Ca -0.01 0.19 -0.43 0.00 -1.81 0.00 0.00 57.70 55.64 3mhh n MET 72 Cb 0.55 -1.66 -0.03 0.00 -0.71 0.00 0.00 33.22 31.37 3mhh n MET 72 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3mhh n VAL 73 N -1.85 0.20 -1.94 2.03 0.31 -1.14 -4.92 118.33 111.02 3mhh n VAL 73 Ca 0.05 -0.04 -0.38 0.00 -0.01 0.00 0.00 64.34 63.96 3mhh n VAL 73 Cb 0.31 -1.99 0.02 0.00 -0.91 0.00 0.00 33.84 31.28 3mhh n VAL 73 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3mhh s SER 74 N 2.02 5.60 0.25 4.52 1.04 -1.26 -4.82 113.70 121.06 3mhh s SER 74 Ca 0.80 2.62 -0.03 0.00 0.48 0.00 0.00 55.95 59.81 3mhh s SER 74 Cb -0.53 -2.63 0.47 0.00 0.10 0.00 0.00 66.02 63.44 3mhh s SER 74 CO 0.36 -1.33 1.74 0.44 0.98 0.00 0.00 173.24 175.43 3mhh h ASP 75 N 1.71 0.36 -0.53 7.02 3.32 -1.95 -1.50 116.42 124.85 3mhh h ASP 75 Ca -0.50 0.10 0.03 0.00 0.02 0.00 0.00 57.03 56.68 3mhh h ASP 75 Cb 1.28 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.85 3mhh h ASP 75 CO 0.58 0.14 0.30 -1.28 -1.72 0.00 0.00 179.24 177.27 3mhh h SER 76 N 0.50 0.48 -0.16 6.45 0.87 -1.98 0.61 113.55 120.31 3mhh h SER 76 Ca 0.43 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.94 3mhh h SER 76 Cb 0.62 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 3mhh h SER 76 CO -0.38 0.33 -0.12 0.74 -0.53 0.00 0.00 176.83 176.87 3mhh h THR 77 N 0.60 1.33 0.16 2.23 2.02 -1.77 -1.88 112.91 115.60 3mhh h THR 77 Ca 0.22 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 66.17 3mhh h THR 77 Cb 0.07 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3mhh h THR 77 CO -0.12 0.36 -0.15 -0.09 0.37 0.00 0.00 175.52 175.89 3mhh h ARG 78 N 0.01 -0.33 0.00 6.66 2.43 -0.92 -0.95 114.38 121.28 3mhh h ARG 78 Ca 0.03 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3mhh h ARG 78 Cb 0.63 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3mhh h ARG 78 CO 0.03 -0.22 -0.04 1.05 -1.51 0.00 0.00 179.97 179.28 3mhh h GLU 79 N -0.34 0.00 -0.01 0.20 4.11 -0.97 -0.94 114.58 116.63 3mhh h GLU 79 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 3mhh h GLU 79 Cb 0.32 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.58 3mhh h GLU 79 CO -0.04 0.04 -0.30 1.15 0.07 0.00 0.00 179.01 179.94 3mhh h THR 80 N 0.00 1.52 -0.03 -1.06 2.02 -1.01 -2.19 112.91 112.15 3mhh h THR 80 Ca -0.00 -1.94 -0.15 0.00 0.77 0.00 0.00 66.41 65.09 3mhh h THR 80 Cb 0.75 2.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.85 3mhh h THR 80 CO 0.01 0.54 -0.67 0.58 0.37 0.00 0.00 175.52 176.34 3mhh h VAL 81 N -0.42 1.43 0.09 3.16 2.07 -1.16 -1.92 116.25 119.49 3mhh h VAL 81 Ca -0.04 -2.18 0.00 0.00 0.82 0.00 0.00 66.70 65.31 3mhh h VAL 81 Cb 1.04 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 3mhh h VAL 81 CO 0.06 0.64 -0.09 -0.07 0.02 0.00 0.00 177.57 178.13 3mhh h LEU 82 N 0.11 -0.23 -0.71 2.57 3.38 -1.27 0.02 115.31 119.18 3mhh h LEU 82 Ca -0.01 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.09 3mhh h LEU 82 Cb 1.20 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.95 3mhh h LEU 82 CO 0.10 -0.14 0.33 0.50 0.09 0.00 0.00 178.44 179.32 3mhh h LYS 83 N -0.20 0.53 -0.26 1.13 3.64 -1.18 0.93 116.57 121.17 3mhh h LYS 83 Ca 0.00 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3mhh h LYS 83 Cb 0.19 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3mhh h LYS 83 CO -0.02 0.35 -0.00 1.96 -2.27 0.00 0.00 179.45 179.46 3mhh h GLN 84 N 0.54 0.46 -0.96 1.90 4.20 -1.13 -1.15 115.11 118.98 3mhh h GLN 84 Ca 0.36 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.94 3mhh h GLN 84 Cb 0.44 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 3mhh h GLN 84 CO -0.31 0.63 0.63 0.82 -0.67 0.00 0.00 178.83 179.94 3mhh h ILE 85 N 0.24 1.23 -0.63 2.54 2.04 -0.40 -2.15 117.51 120.36 3mhh h ILE 85 Ca 0.07 -0.44 -0.08 0.00 1.00 0.00 0.00 64.86 65.41 3mhh h ILE 85 Cb 0.43 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 3mhh h ILE 85 CO 0.01 0.23 0.08 -0.09 0.00 0.00 0.00 178.15 178.38 3mhh h ARG 86 N 1.27 1.07 -0.61 2.37 2.43 -0.42 -2.24 114.38 118.25 3mhh h ARG 86 Ca 0.36 -0.30 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 3mhh h ARG 86 Cb -0.11 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 3mhh h ARG 86 CO -0.09 1.00 0.09 0.93 -1.51 0.00 0.00 179.97 180.40 3mhh h GLU 87 N 0.98 1.02 -0.79 0.20 5.08 -0.77 0.17 114.58 120.47 3mhh h GLU 87 Ca 0.19 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3mhh h GLU 87 Cb 0.47 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 3mhh h GLU 87 CO 0.02 0.96 0.53 0.74 -1.00 0.00 0.00 179.01 180.25 3mhh h PHE 88 N 0.93 1.00 -0.09 4.33 0.04 -1.14 -2.63 116.94 119.38 3mhh h PHE 88 Ca 0.18 0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.82 3mhh h PHE 88 Cb 0.44 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 3mhh h PHE 88 CO 0.03 0.63 -0.63 -0.07 -0.60 0.00 0.00 178.31 177.67 3mhh h LEU 89 N 1.07 0.39 -1.93 1.54 3.38 -0.90 -2.81 115.31 116.05 3mhh h LEU 89 Ca 0.29 -0.23 0.25 0.00 0.09 0.00 0.00 57.88 58.28 3mhh h LEU 89 Cb -0.12 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3mhh h LEU 89 CO -0.06 0.92 0.69 -0.33 0.09 0.00 0.00 178.44 179.74 3mhh h GLU 90 N 0.25 0.00 0.00 1.13 5.08 -0.29 -0.14 114.58 120.61 3mhh h GLU 90 Ca -0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 3mhh h GLU 90 Cb 1.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 3mhh h GLU 90 CO 0.10 0.00 -0.51 1.49 -1.00 0.00 0.00 179.01 179.09 3mhh h GLU 91 N 0.00 0.00 0.00 2.33 4.81 -1.45 -3.37 114.58 116.90 3mhh h GLU 91 Ca 0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 3mhh h GLU 91 Cb 1.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.15 3mhh h GLU 91 CO -0.00 0.51 0.00 0.44 -0.73 0.00 0.00 179.01 179.23 3mhh n ILE 92 N -3.26 0.00 -4.19 2.32 -5.35 -0.18 -5.05 119.36 103.66 3mhh n ILE 92 Ca 0.02 -0.33 -0.27 0.00 -0.27 0.00 0.00 62.75 61.90 3mhh n ILE 92 Cb 0.72 1.30 -0.08 0.00 -1.74 0.00 0.00 39.64 39.84 3mhh n ILE 92 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 3mhh s VAL 93 N -0.09 3.80 0.09 7.28 -7.23 -0.53 -5.11 120.40 118.62 3mhh s VAL 93 Ca 0.00 -1.31 0.04 0.00 -1.81 0.00 0.00 61.98 58.90 3mhh s VAL 93 Cb 0.00 -2.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 3mhh s VAL 93 CO 0.00 -0.05 0.05 -1.81 -0.31 0.00 0.00 175.10 172.98 3mhh s ASP 94 N -2.79 5.31 0.20 4.85 1.01 -1.26 -4.89 116.67 119.09 3mhh s ASP 94 Ca 0.27 -0.10 0.07 0.00 0.71 0.00 0.00 52.55 53.50 3mhh s ASP 94 Cb -0.10 -1.35 -0.05 0.00 1.01 0.00 0.00 42.92 42.43 3mhh s ASP 94 CO 0.18 0.16 -0.12 0.42 0.21 0.00 0.00 175.17 176.03 3mhh s THR 95 N -1.40 1.57 -1.60 -1.27 -4.23 -1.26 -5.21 115.64 102.24 3mhh s THR 95 Ca 0.28 -2.16 0.13 0.00 -1.18 0.00 0.00 61.69 58.75 3mhh s THR 95 Cb -0.12 -2.06 0.10 0.00 1.34 0.00 0.00 72.50 71.76 3mhh s THR 95 CO 0.21 -0.58 0.91 0.00 -0.54 0.00 0.00 174.62 174.61