#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zwi s ALA 23 N 0.00 2.65 0.09 -1.46 0.00 -1.26 -4.91 121.76 116.88 1zwi s ALA 23 Ca 0.00 0.69 -0.23 0.00 0.00 0.00 0.00 51.96 52.41 1zwi s ALA 23 Cb 0.00 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.71 1zwi s ALA 23 CO 0.00 -0.87 1.39 1.25 0.00 0.00 0.00 175.76 177.53 1zwi h LEU 24 N 0.84 -1.28 -1.42 0.00 5.85 -2.05 -1.52 115.31 115.72 1zwi h LEU 24 Ca -0.49 0.16 0.18 0.00 0.84 0.00 0.00 57.88 58.57 1zwi h LEU 24 Cb 1.25 0.52 -0.02 0.00 0.37 0.00 0.00 40.66 42.77 1zwi h LEU 24 CO 0.56 -0.30 0.82 1.12 -0.34 0.00 0.00 178.44 180.29 1zwi h HIS 25 N -0.33 0.00 0.00 1.25 2.07 -1.96 1.41 115.15 117.59 1zwi h HIS 25 Ca 0.04 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.56 1zwi h HIS 25 Cb 0.44 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.42 1zwi h HIS 25 CO -0.64 0.00 -1.00 0.91 -3.07 0.00 0.00 177.93 174.13 1zwi n TRP 26 N -3.33 0.77 0.06 6.12 5.03 -0.61 -3.11 117.44 122.38 1zwi n TRP 26 Ca 0.13 0.22 -0.21 0.00 3.03 0.00 0.00 57.50 60.67 1zwi n TRP 26 Cb 1.02 -0.83 -0.15 0.00 -1.03 0.00 0.00 31.31 30.33 1zwi n TRP 26 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1zwi h ARG 27 N 0.00 0.34 -0.54 -0.99 3.08 0.22 -2.75 114.38 113.74 1zwi h ARG 27 Ca 0.00 -0.58 -0.03 0.00 0.07 0.00 0.00 59.98 59.43 1zwi h ARG 27 Cb 0.93 0.22 -0.02 0.00 0.08 0.00 0.00 29.97 31.17 1zwi h ARG 27 CO 0.00 1.28 0.22 0.00 -1.07 0.00 0.00 179.97 180.40 1zwi h ALA 28 N 0.07 0.71 0.19 0.04 0.00 -1.24 0.39 119.26 119.42 1zwi h ALA 28 Ca -0.20 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.56 1zwi h ALA 28 Cb 1.78 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1zwi h ALA 28 CO 0.16 0.32 -0.23 0.00 0.00 0.00 0.00 179.25 179.50 1zwi h ALA 29 N 1.06 -0.44 0.39 0.00 0.00 -1.64 0.36 119.26 118.99 1zwi h ALA 29 Ca 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1zwi h ALA 29 Cb 0.20 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1zwi h ALA 29 CO -0.01 -0.78 -0.47 0.78 0.00 0.00 0.00 179.25 178.76 1zwi h GLY 30 N -0.47 -1.11 0.72 0.00 0.00 -1.19 -0.05 103.07 100.97 1zwi h GLY 30 Ca 0.01 0.55 0.14 0.00 0.00 0.00 0.00 47.33 48.02 1zwi h GLY 30 CO -0.08 -0.34 0.51 0.00 0.00 0.00 0.00 176.54 176.63 1zwi h ALA 31 N -0.63 2.21 0.02 3.60 0.00 0.03 0.18 119.26 124.67 1zwi h ALA 31 Ca -0.04 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 1zwi h ALA 31 Cb 0.80 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1zwi h ALA 31 CO -0.11 -0.75 -1.22 0.00 0.00 0.00 0.00 179.25 177.17 1zwi h ALA 32 N 1.44 0.41 -0.28 0.00 0.00 0.13 -2.49 119.26 118.46 1zwi h ALA 32 Ca 0.23 -1.04 -0.15 0.00 0.00 0.00 0.00 54.91 53.95 1zwi h ALA 32 Cb 1.24 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1zwi h ALA 32 CO -0.00 1.28 -0.41 1.15 0.00 0.00 0.00 179.25 181.27 1zwi h THR 33 N 0.01 1.30 -0.13 0.00 2.02 0.11 -0.01 112.91 116.21 1zwi h THR 33 Ca -0.10 -1.60 -0.03 0.00 0.77 0.00 0.00 66.41 65.45 1zwi h THR 33 Cb 1.86 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 69.92 1zwi h THR 33 CO 0.13 0.52 -0.04 0.58 0.37 0.00 0.00 175.52 177.08 1zwi h VAL 34 N 0.52 1.30 -0.65 3.16 2.07 -1.55 -1.83 116.25 119.27 1zwi h VAL 34 Ca 0.03 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1zwi h VAL 34 Cb 1.01 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 1zwi h VAL 34 CO 0.10 0.29 0.41 0.25 0.02 0.00 0.00 177.57 178.64 1zwi h LEU 35 N -0.06 0.77 -0.24 2.57 5.85 -1.44 -1.33 115.31 121.43 1zwi h LEU 35 Ca 0.03 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1zwi h LEU 35 Cb 0.47 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1zwi h LEU 35 CO 0.01 0.58 0.14 0.25 -0.34 0.00 0.00 178.44 179.08 1zwi h LEU 36 N 0.89 0.30 -1.51 2.25 5.85 -0.73 -1.13 115.31 121.22 1zwi h LEU 36 Ca 0.24 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1zwi h LEU 36 Cb -0.06 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1zwi h LEU 36 CO -0.05 0.29 0.36 0.58 -0.34 0.00 0.00 178.44 179.28 1zwi h VAL 37 N 0.28 1.07 -0.24 1.05 2.07 -0.47 0.29 116.25 120.30 1zwi h VAL 37 Ca 0.08 -0.22 -0.19 0.00 0.82 0.00 0.00 66.70 67.19 1zwi h VAL 37 Cb 0.05 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1zwi h VAL 37 CO -0.01 0.12 -0.61 0.40 0.02 0.00 0.00 177.57 177.49 1zwi h ILE 38 N 0.64 1.28 -0.28 4.57 2.04 -0.81 -2.25 117.51 122.70 1zwi h ILE 38 Ca 0.22 -1.81 -0.06 0.00 1.00 0.00 0.00 64.86 64.21 1zwi h ILE 38 Cb 0.07 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1zwi h ILE 38 CO -0.06 0.58 -0.06 0.58 0.00 0.00 0.00 178.15 179.20 1zwi h VAL 39 N 0.60 1.28 -0.17 1.67 2.07 -0.45 0.13 116.25 121.38 1zwi h VAL 39 Ca -0.00 -1.07 0.05 0.00 0.82 0.00 0.00 66.70 66.49 1zwi h VAL 39 Cb 1.21 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 32.33 1zwi h VAL 39 CO 0.13 0.34 -0.38 -0.07 0.02 0.00 0.00 177.57 177.61 1zwi h LEU 40 N 0.29 -1.20 0.10 2.57 3.38 -0.41 0.46 115.31 120.51 1zwi h LEU 40 Ca 0.07 0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.22 1zwi h LEU 40 Cb 0.53 0.50 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1zwi h LEU 40 CO 0.03 -0.39 -0.16 -0.07 0.09 0.00 0.00 178.44 177.94 1zwi h LEU 41 N -0.43 -0.43 -1.81 1.67 3.38 -1.28 0.23 115.31 116.64 1zwi h LEU 41 Ca 0.09 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1zwi h LEU 41 Cb 0.59 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1zwi h LEU 41 CO -0.40 -0.23 -0.15 0.00 0.09 0.00 0.00 178.44 177.75 1zwi h ALA 42 N 0.54 1.45 0.22 1.53 0.00 -0.81 -1.52 119.26 120.68 1zwi h ALA 42 Ca 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1zwi h ALA 42 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1zwi h ALA 42 CO -0.08 0.19 -0.11 0.78 0.00 0.00 0.00 179.25 180.03 1zwi h GLY 43 N 0.70 -0.31 0.51 0.00 0.00 0.84 0.34 103.07 105.15 1zwi h GLY 43 Ca -0.00 0.11 0.09 0.00 0.00 0.00 0.00 47.33 47.54 1zwi h GLY 43 CO 0.02 -0.11 0.44 1.76 0.00 0.00 0.00 176.54 178.65 1zwi h SER 44 N -0.70 0.62 0.82 0.19 0.02 -0.19 0.18 113.55 114.50 1zwi h SER 44 Ca -0.03 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 1zwi h SER 44 Cb 0.48 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.97 1zwi h SER 44 CO 0.05 0.35 -0.39 0.22 -1.14 0.00 0.00 176.83 175.92 1zwi h TYR 45 N 0.74 -1.02 -0.30 3.45 3.20 -1.13 -2.68 116.97 119.24 1zwi h TYR 45 Ca 0.39 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.30 1zwi h TYR 45 Cb 0.37 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 1zwi h TYR 45 CO -0.07 -0.64 0.21 -0.07 -1.64 0.00 0.00 178.16 175.95 1zwi h LEU 46 N -1.25 0.09 0.05 2.82 3.38 -0.13 -2.23 115.31 118.04 1zwi h LEU 46 Ca -0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1zwi h LEU 46 Cb 0.84 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1zwi h LEU 46 CO 0.18 0.06 -0.02 0.00 0.09 0.00 0.00 178.44 178.75 1zwi h ALA 47 N 1.85 -0.07 -0.42 1.53 0.00 -0.52 -0.51 119.26 121.12 1zwi h ALA 47 Ca 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1zwi h ALA 47 Cb 0.41 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1zwi h ALA 47 CO -0.01 -0.49 0.22 0.28 0.00 0.00 0.00 179.25 179.24 1zwi h VAL 48 N -0.16 1.16 -0.92 0.00 2.07 -1.08 -0.04 116.25 117.27 1zwi h VAL 48 Ca -0.01 -0.43 0.08 0.00 0.82 0.00 0.00 66.70 67.16 1zwi h VAL 48 Cb 0.14 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 1zwi h VAL 48 CO 0.01 0.17 0.60 0.25 0.02 0.00 0.00 177.57 178.62 1zwi h LEU 49 N 0.54 0.90 -0.02 2.57 5.85 -1.25 -1.19 115.31 122.71 1zwi h LEU 49 Ca 0.15 0.01 -0.24 0.00 0.84 0.00 0.00 57.88 58.64 1zwi h LEU 49 Cb 0.07 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1zwi h LEU 49 CO -0.02 0.56 -1.09 0.00 -0.34 0.00 0.00 178.44 177.54 1zwi h ALA 50 N 1.52 0.25 0.07 1.25 0.00 -0.66 -3.37 119.26 118.32 1zwi h ALA 50 Ca 0.41 -0.82 -0.27 0.00 0.00 0.00 0.00 54.91 54.23 1zwi h ALA 50 Cb 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1zwi h ALA 50 CO -0.17 0.96 -1.35 0.93 0.00 0.00 0.00 179.25 179.62 1zwi h GLU 51 N 0.10 0.15 -7.00 0.00 4.39 -0.68 -3.44 114.58 108.10 1zwi h GLU 51 Ca -0.09 -0.25 -0.54 0.00 0.34 0.00 0.00 59.36 58.82 1zwi h GLU 51 Cb 1.79 0.09 0.11 0.00 -0.10 0.00 0.00 28.75 30.64 1zwi h GLU 51 CO 0.18 1.01 0.63 1.03 -1.16 0.00 0.00 179.01 180.70 1zwi s ARG 52 N -2.65 3.58 0.00 2.33 0.52 -0.48 -1.93 118.95 120.32 1zwi s ARG 52 Ca -0.05 2.24 0.00 0.00 -0.52 0.00 0.00 55.73 57.41 1zwi s ARG 52 Cb 0.08 -2.53 0.00 0.00 0.52 0.00 0.00 34.95 33.02 1zwi s ARG 52 CO 0.84 -0.84 0.00 0.41 0.02 0.00 0.00 175.30 175.73 1zwi n GLY 53 N 0.63 2.77 3.55 -3.53 0.00 -1.26 -4.98 105.19 102.37 1zwi n GLY 53 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1zwi n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zwi s ALA 54 N -2.75 3.42 0.22 4.61 0.00 -0.81 -5.03 121.76 121.41 1zwi s ALA 54 Ca 0.00 -1.02 -0.32 0.00 0.00 0.00 0.00 51.96 50.62 1zwi s ALA 54 Cb 0.00 -3.20 -0.14 0.00 0.00 0.00 0.00 23.12 19.78 1zwi s ALA 54 CO 0.00 -1.50 1.38 -2.30 0.00 0.00 0.00 175.76 173.34 1zwi n PRO 55 N 6.08 1.87 -0.22 0.00 -0.02 -1.26 -1.16 135.00 140.30 1zwi n PRO 55 Ca -0.02 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1zwi n PRO 55 Cb 0.48 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1zwi n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1zwi n GLY 56 N 2.25 2.23 3.76 -1.23 0.00 -1.26 -5.01 105.19 105.93 1zwi n GLY 56 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1zwi n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zwi s ALA 57 N -3.10 2.97 0.00 4.61 0.00 -0.31 -4.94 121.76 121.00 1zwi s ALA 57 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1zwi s ALA 57 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1zwi s ALA 57 CO 0.00 -1.16 0.00 1.04 0.00 0.00 0.00 175.76 175.64 1zwi n GLN 58 N -0.65 5.27 -1.79 0.00 6.02 -1.26 -4.77 117.38 120.20 1zwi n GLN 58 Ca 0.08 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.67 1zwi n GLN 58 Cb 0.45 -0.61 -0.01 0.00 1.02 0.00 0.00 30.24 31.09 1zwi n GLN 58 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1zwi n LEU 59 N -1.10 8.20 -0.06 1.08 7.94 -1.26 -4.64 117.00 127.17 1zwi n LEU 59 Ca 0.00 -4.70 0.06 0.00 -1.11 0.00 0.00 56.01 50.26 1zwi n LEU 59 Cb 0.00 -1.43 0.09 0.00 0.53 0.00 0.00 43.42 42.61 1zwi n LEU 59 CO 0.00 2.02 0.55 2.30 -1.11 0.00 0.00 177.39 181.15 1zwi n ILE 60 N 2.45 1.58 -3.85 1.96 -5.35 -1.26 -4.08 119.36 110.80 1zwi n ILE 60 Ca 0.67 -1.82 -0.12 0.00 -0.27 0.00 0.00 62.75 61.21 1zwi n ILE 60 Cb 0.25 0.02 -0.14 0.00 -1.74 0.00 0.00 39.64 38.03 1zwi n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1zwi s THR 61 N -2.21 -0.01 0.11 7.28 -4.23 -1.26 -4.95 115.64 110.37 1zwi s THR 61 Ca 0.21 0.03 -0.32 0.00 -1.18 0.00 0.00 61.69 60.43 1zwi s THR 61 Cb 0.18 -0.04 -0.11 0.00 1.34 0.00 0.00 72.50 73.87 1zwi s THR 61 CO 0.02 0.01 1.58 1.88 -0.54 0.00 0.00 174.62 177.57 1zwi h TYR 62 N 6.29 -1.28 -0.90 3.99 0.99 -1.94 -0.79 116.97 123.34 1zwi h TYR 62 Ca -0.27 0.03 0.15 0.00 2.00 0.00 0.00 58.73 60.65 1zwi h TYR 62 Cb 1.20 0.54 -0.16 0.00 1.00 0.00 0.00 36.73 39.31 1zwi h TYR 62 CO 0.42 -0.54 -0.34 -1.35 -0.00 0.00 0.00 178.16 176.35 1zwi h PRO 63 N -0.68 -0.03 -0.00 4.88 0.11 -1.98 0.11 132.00 134.40 1zwi h PRO 63 Ca 0.02 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.92 1zwi h PRO 63 Cb 0.71 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 1zwi h PRO 63 CO -0.26 -0.02 -0.89 0.07 -0.21 0.00 0.00 178.00 176.69 1zwi h ARG 64 N -0.03 0.30 -0.49 1.05 0.11 -1.97 -2.94 114.38 110.40 1zwi h ARG 64 Ca 0.35 -0.31 0.09 0.00 0.10 0.00 0.00 59.98 60.21 1zwi h ARG 64 Cb 0.61 0.09 -0.03 0.00 1.11 0.00 0.00 29.97 31.75 1zwi h ARG 64 CO -0.92 1.01 0.34 0.00 0.10 0.00 0.00 179.97 180.50 1zwi h ALA 65 N 0.88 2.13 -0.33 0.08 0.00 0.54 0.22 119.26 122.77 1zwi h ALA 65 Ca -0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1zwi h ALA 65 Cb 1.52 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1zwi h ALA 65 CO 0.14 -0.24 -0.34 1.25 0.00 0.00 0.00 179.25 180.06 1zwi h LEU 66 N 0.25 0.88 -1.16 0.00 5.85 -0.71 -1.53 115.31 118.89 1zwi h LEU 66 Ca 0.23 -0.47 -0.06 0.00 0.84 0.00 0.00 57.88 58.41 1zwi h LEU 66 Cb 0.56 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1zwi h LEU 66 CO -0.05 1.17 -0.07 -0.25 -0.34 0.00 0.00 178.44 178.91 1zwi h TRP 67 N 0.61 0.53 -0.37 1.25 2.91 -0.94 -1.74 115.95 118.20 1zwi h TRP 67 Ca 0.05 -0.07 -0.01 0.00 1.13 0.00 0.00 58.89 60.00 1zwi h TRP 67 Cb 0.93 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 29.41 1zwi h TRP 67 CO 0.07 0.57 0.19 2.35 -1.03 0.00 0.00 178.44 180.59 1zwi h TRP 68 N 0.47 0.51 0.34 2.65 7.01 -0.37 -2.03 115.95 124.53 1zwi h TRP 68 Ca 0.09 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.07 1zwi h TRP 68 Cb 0.42 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.30 1zwi h TRP 68 CO 0.01 0.41 -0.29 0.77 -2.79 0.00 0.00 178.44 176.56 1zwi h SER 69 N 0.46 -0.76 -0.83 2.65 0.02 -0.48 -0.92 113.55 113.69 1zwi h SER 69 Ca 0.13 0.06 0.10 0.00 -0.84 0.00 0.00 61.79 61.24 1zwi h SER 69 Cb 0.08 0.25 -0.08 0.00 0.14 0.00 0.00 62.40 62.79 1zwi h SER 69 CO -0.02 -0.43 0.47 0.58 -1.14 0.00 0.00 176.83 176.30 1zwi h VAL 70 N -0.64 0.88 -0.02 2.27 2.07 -1.30 0.29 116.25 119.81 1zwi h VAL 70 Ca -0.02 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 1zwi h VAL 70 Cb 0.57 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1zwi h VAL 70 CO -0.03 0.14 -0.32 0.00 0.02 0.00 0.00 177.57 177.38 1zwi h ALA 71 N 1.47 1.44 0.20 1.67 0.00 -1.06 -2.17 119.26 120.81 1zwi h ALA 71 Ca 0.41 -0.30 -0.33 0.00 0.00 0.00 0.00 54.91 54.69 1zwi h ALA 71 Cb 0.41 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.16 1zwi h ALA 71 CO -0.27 0.42 -1.54 1.15 0.00 0.00 0.00 179.25 179.01 1zwi h THR 72 N 0.03 1.19 -0.46 0.00 2.02 0.39 0.13 112.91 116.21 1zwi h THR 72 Ca 0.00 -2.71 -0.04 0.00 0.77 0.00 0.00 66.41 64.43 1zwi h THR 72 Cb 0.58 2.90 -0.02 0.00 -1.74 0.00 0.00 68.15 69.88 1zwi h THR 72 CO 0.04 0.84 0.13 0.00 0.37 0.00 0.00 175.52 176.89 1zwi h ALA 73 N 0.25 0.60 0.00 6.16 0.00 -0.39 0.89 119.26 126.77 1zwi h ALA 73 Ca -0.27 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1zwi h ALA 73 Cb 2.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1zwi h ALA 73 CO 0.22 0.27 0.00 0.25 0.00 0.00 0.00 179.25 179.99 1zwi n THR 74 N -4.52 0.29 -1.27 0.00 -2.24 -0.83 -3.97 114.28 101.74 1zwi n THR 74 Ca 0.01 0.07 -0.09 0.00 -2.27 0.00 0.00 64.05 61.77 1zwi n THR 74 Cb 0.20 -0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 67.70 1zwi n THR 74 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1zwi n THR 75 N -1.32 0.00 0.15 4.28 -2.24 0.31 -4.90 114.28 110.56 1zwi n THR 75 Ca 0.10 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.90 1zwi n THR 75 Cb 0.20 -1.23 0.34 0.00 -2.10 0.00 0.00 70.33 67.53 1zwi n THR 75 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1zwi h VAL 76 N 0.00 1.25 -7.02 2.28 2.07 -1.03 -3.48 116.25 110.33 1zwi h VAL 76 Ca -0.19 -1.20 -0.60 0.00 0.82 0.00 0.00 66.70 65.54 1zwi h VAL 76 Cb 0.86 1.56 -0.18 0.00 -1.52 0.00 0.00 31.29 32.01 1zwi h VAL 76 CO 0.28 0.35 -0.94 0.61 0.02 0.00 0.00 177.57 177.89 1zwi n GLY 77 N -0.51 -0.19 0.56 2.17 0.00 -0.43 -4.84 105.19 101.94 1zwi n GLY 77 Ca -0.02 0.19 0.36 0.00 0.00 0.00 0.00 46.02 46.55 1zwi n GLY 77 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1zwi h TYR 78 N -1.79 0.00 0.00 1.61 -1.99 -1.92 -3.45 116.97 109.44 1zwi h TYR 78 Ca -0.64 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.09 1zwi h TYR 78 Cb 1.35 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.08 1zwi h TYR 78 CO 0.49 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.06 1zwi n GLY 79 N -1.75 1.30 0.22 3.88 0.00 -1.26 -4.84 105.19 102.73 1zwi n GLY 79 Ca 0.27 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.44 1zwi n GLY 79 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1zwi h ASP 80 N 0.00 0.00 -3.64 1.61 3.04 -2.02 -3.42 116.42 111.99 1zwi h ASP 80 Ca 0.00 0.00 -0.24 0.00 -3.24 0.00 0.00 57.03 53.55 1zwi h ASP 80 Cb 0.00 0.00 -0.30 0.00 -1.04 0.00 0.00 39.33 37.99 1zwi h ASP 80 CO 0.00 0.00 -0.67 -0.76 -2.04 0.00 0.00 179.24 175.77 1zwi s LEU 81 N -5.66 1.43 -0.15 0.15 2.01 -1.26 -5.08 118.68 110.13 1zwi s LEU 81 Ca 0.04 0.12 -0.29 0.00 0.01 0.00 0.00 54.13 54.01 1zwi s LEU 81 Cb 0.09 0.15 0.09 0.00 0.01 0.00 0.00 46.19 46.53 1zwi s LEU 81 CO 0.54 -0.07 0.81 -0.72 1.01 0.00 0.00 176.35 177.92 1zwi s TYR 82 N 0.48 -0.59 0.42 0.29 -0.85 -1.26 -4.94 117.35 110.90 1zwi s TYR 82 Ca -0.04 1.17 -0.24 0.00 -0.52 0.00 0.00 57.07 57.44 1zwi s TYR 82 Cb -0.05 0.39 -0.08 0.00 0.38 0.00 0.00 41.96 42.59 1zwi s TYR 82 CO -0.02 -0.45 1.13 -1.25 -1.52 0.00 0.00 175.55 173.44 1zwi s PRO 83 N -0.69 3.98 0.00 -3.49 0.04 -1.26 -4.64 135.00 128.94 1zwi s PRO 83 Ca -0.05 1.70 0.01 0.00 0.04 0.00 0.00 61.00 62.71 1zwi s PRO 83 Cb -0.02 -2.53 -0.01 0.00 0.04 0.00 0.00 34.50 31.99 1zwi s PRO 83 CO 0.04 -0.35 0.13 1.33 0.04 0.00 0.00 177.00 178.19 1zwi n VAL 84 N -0.19 0.00 -3.45 -0.36 0.24 -1.26 -4.80 118.33 108.51 1zwi n VAL 84 Ca 0.06 -0.48 -0.20 0.00 -2.04 0.00 0.00 64.34 61.67 1zwi n VAL 84 Cb 0.48 1.00 -0.00 0.00 -1.47 0.00 0.00 33.84 33.85 1zwi n VAL 84 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1zwi s THR 85 N -0.95 4.35 0.14 3.34 -4.23 -1.26 -4.99 115.64 112.03 1zwi s THR 85 Ca 0.01 -0.85 -0.13 0.00 -1.18 0.00 0.00 61.69 59.53 1zwi s THR 85 Cb 0.01 -3.54 0.00 0.00 1.34 0.00 0.00 72.50 70.31 1zwi s THR 85 CO 0.04 -0.25 1.58 0.25 -0.54 0.00 0.00 174.62 175.70 1zwi h LEU 86 N 0.83 0.79 -0.34 4.79 5.85 -1.96 -1.16 115.31 124.11 1zwi h LEU 86 Ca -0.47 -0.31 -0.14 0.00 0.84 0.00 0.00 57.88 57.79 1zwi h LEU 86 Cb 1.25 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1zwi h LEU 86 CO 0.56 0.91 -0.34 -0.50 -0.34 0.00 0.00 178.44 178.72 1zwi h TRP 87 N 0.65 1.00 -0.51 1.25 4.06 -1.96 -0.77 115.95 119.67 1zwi h TRP 87 Ca 0.13 -0.30 0.07 0.00 2.06 0.00 0.00 58.89 60.85 1zwi h TRP 87 Cb 0.51 -0.21 -0.06 0.00 -1.00 0.00 0.00 29.16 28.40 1zwi h TRP 87 CO 0.04 1.10 0.16 0.78 -3.56 0.00 0.00 178.44 176.96 1zwi h GLY 88 N 0.62 0.66 1.56 1.49 0.00 -1.82 0.12 103.07 105.70 1zwi h GLY 88 Ca 0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 1zwi h GLY 88 CO 0.09 -0.01 0.14 3.21 0.00 0.00 0.00 176.54 179.96 1zwi h ARG 89 N 0.33 0.57 -0.08 4.80 3.08 -0.91 0.59 114.38 122.76 1zwi h ARG 89 Ca 0.25 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1zwi h ARG 89 Cb 0.28 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1zwi h ARG 89 CO -0.27 0.49 0.01 0.00 -1.07 0.00 0.00 179.97 179.14 1zwi h VAL 91 N -0.11 0.81 0.03 0.00 2.07 -0.29 -0.76 116.25 117.99 1zwi h VAL 91 Ca 0.02 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1zwi h VAL 91 Cb 0.30 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1zwi h VAL 91 CO 0.00 0.09 -0.01 0.00 0.02 0.00 0.00 177.57 177.66 1zwi h ALA 92 N 1.64 -0.04 -0.33 1.67 0.00 0.02 -1.01 119.26 121.20 1zwi h ALA 92 Ca 0.38 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.23 1zwi h ALA 92 Cb 0.81 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1zwi h ALA 92 CO -0.13 -0.43 0.09 0.28 0.00 0.00 0.00 179.25 179.07 1zwi h VAL 93 N -0.24 0.88 -0.35 0.00 2.07 0.40 0.31 116.25 119.31 1zwi h VAL 93 Ca -0.00 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1zwi h VAL 93 Cb 0.22 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1zwi h VAL 93 CO 0.01 0.04 0.21 0.58 0.02 0.00 0.00 177.57 178.43 1zwi h VAL 94 N 0.22 1.05 -0.24 2.57 2.07 -1.25 -1.28 116.25 119.39 1zwi h VAL 94 Ca 0.15 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1zwi h VAL 94 Cb 0.14 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1zwi h VAL 94 CO -0.18 0.08 0.09 0.58 0.02 0.00 0.00 177.57 178.16 1zwi h VAL 95 N 0.43 0.95 -0.03 2.57 2.07 -0.63 0.34 116.25 121.95 1zwi h VAL 95 Ca 0.14 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.62 1zwi h VAL 95 Cb -0.01 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 1zwi h VAL 95 CO -0.06 0.04 -0.33 0.24 0.02 0.00 0.00 177.57 177.48 1zwi h MET 96 N 0.20 -0.44 -0.16 1.57 2.86 -0.63 -0.68 114.93 117.65 1zwi h MET 96 Ca 0.10 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1zwi h MET 96 Cb 0.06 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1zwi h MET 96 CO -0.10 -0.30 0.08 0.28 1.06 0.00 0.00 176.91 177.93 1zwi h VAL 97 N -0.46 1.00 -0.83 -2.22 2.07 -1.03 0.31 116.25 115.09 1zwi h VAL 97 Ca 0.07 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1zwi h VAL 97 Cb 0.56 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 1zwi h VAL 97 CO -0.29 0.03 0.51 0.00 0.02 0.00 0.00 177.57 177.84 1zwi h ALA 98 N 1.08 1.13 0.03 1.67 0.00 -0.74 0.27 119.26 122.69 1zwi h ALA 98 Ca 0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1zwi h ALA 98 Cb 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1zwi h ALA 98 CO -0.04 0.24 -0.01 0.78 0.00 0.00 0.00 179.25 180.21 1zwi h GLY 99 N 0.92 -0.04 0.94 0.00 0.00 -0.24 0.23 103.07 104.88 1zwi h GLY 99 Ca 0.36 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 1zwi h GLY 99 CO -0.17 -0.02 0.16 -2.22 0.00 0.00 0.00 176.54 174.29 1zwi h ILE 100 N -0.12 1.20 -0.46 2.60 2.04 0.11 -1.23 117.51 121.64 1zwi h ILE 100 Ca -0.00 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1zwi h ILE 100 Cb 0.11 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1zwi h ILE 100 CO 0.01 0.22 0.23 0.74 0.00 0.00 0.00 178.15 179.35 1zwi h THR 101 N 0.50 1.18 -0.27 -0.27 2.02 -0.32 0.06 112.91 115.81 1zwi h THR 101 Ca 0.13 -0.49 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 1zwi h THR 101 Cb 0.19 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1zwi h THR 101 CO -0.01 0.20 -0.05 0.77 0.37 0.00 0.00 175.52 176.80 1zwi h SER 102 N 0.61 0.51 0.08 4.18 4.64 -0.43 0.13 113.55 123.26 1zwi h SER 102 Ca 0.16 -0.35 -0.06 0.00 -0.47 0.00 0.00 61.79 61.07 1zwi h SER 102 Cb 0.10 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1zwi h SER 102 CO -0.02 0.74 -0.19 -0.26 -0.87 0.00 0.00 176.83 176.23 1zwi h PHE 103 N 0.27 0.24 0.00 4.77 -1.00 -1.13 -1.71 116.94 118.39 1zwi h PHE 103 Ca 0.07 -0.03 -0.10 0.00 2.81 0.00 0.00 57.97 60.71 1zwi h PHE 103 Cb 0.51 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.99 1zwi h PHE 103 CO 0.05 0.41 -0.50 0.78 -1.61 0.00 0.00 178.31 177.44 1zwi h GLY 104 N 0.84 0.00 2.00 -1.45 0.00 -0.82 -2.64 103.07 101.01 1zwi h GLY 104 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.24 1zwi h GLY 104 CO 0.03 0.00 -0.61 -2.00 0.00 0.00 0.00 176.54 173.96 1zwi h LEU 105 N 0.00 0.00 0.00 3.11 5.85 -0.11 -1.46 115.31 122.70 1zwi h LEU 105 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1zwi h LEU 105 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1zwi h LEU 105 CO 0.06 0.61 -0.00 0.58 -0.34 0.00 0.00 178.44 179.35 1zwi h VAL 106 N 0.00 1.55 0.00 1.05 2.07 -1.21 -1.71 116.25 117.99 1zwi h VAL 106 Ca -0.01 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 1zwi h VAL 106 Cb 1.09 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 33.51 1zwi h VAL 106 CO 0.08 0.42 -0.03 0.00 0.02 0.00 0.00 177.57 178.06 1zwi h THR 107 N -0.70 0.55 -0.22 2.57 1.03 -1.43 0.69 112.91 115.39 1zwi h THR 107 Ca -0.00 -0.12 -0.18 0.00 -0.01 0.00 0.00 66.41 66.10 1zwi h THR 107 Cb 0.69 1.08 -0.00 0.00 -1.07 0.00 0.00 68.15 68.85 1zwi h THR 107 CO 0.00 0.03 -0.58 0.00 -0.01 0.00 0.00 175.52 174.96 1zwi h ALA 108 N 1.97 0.58 -0.41 0.00 0.00 -1.09 -2.02 119.26 118.29 1zwi h ALA 108 Ca -0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 1zwi h ALA 108 Cb 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1zwi h ALA 108 CO 0.00 0.69 -0.07 0.00 0.00 0.00 0.00 179.25 179.87 1zwi h ALA 109 N 0.83 1.10 -0.03 0.00 0.00 0.01 -1.93 119.26 119.25 1zwi h ALA 109 Ca 0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1zwi h ALA 109 Cb 1.15 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1zwi h ALA 109 CO 0.12 0.56 -0.37 -0.07 0.00 0.00 0.00 179.25 179.48 1zwi h LEU 110 N 0.65 0.07 -0.16 0.00 3.38 -0.90 -1.55 115.31 116.79 1zwi h LEU 110 Ca 0.12 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 1zwi h LEU 110 Cb 0.51 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1zwi h LEU 110 CO 0.03 0.44 -0.92 0.00 0.09 0.00 0.00 178.44 178.07 1zwi h ALA 111 N 1.57 0.48 -0.25 1.53 0.00 -0.83 -1.59 119.26 120.16 1zwi h ALA 111 Ca 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 54.91 53.93 1zwi h ALA 111 Cb 0.69 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1zwi h ALA 111 CO 0.05 1.13 -0.46 1.15 0.00 0.00 0.00 179.25 181.13 1zwi h THR 112 N 0.01 1.30 0.67 0.00 2.02 -0.97 -0.38 112.91 115.56 1zwi h THR 112 Ca -0.01 -1.65 -0.03 0.00 0.77 0.00 0.00 66.41 65.48 1zwi h THR 112 Cb 1.63 1.60 0.01 0.00 -1.74 0.00 0.00 68.15 69.64 1zwi h THR 112 CO 0.12 0.52 -0.32 -0.25 0.37 0.00 0.00 175.52 175.96 1zwi h TRP 113 N 0.51 -0.83 -0.94 3.16 7.01 -1.25 -1.42 115.95 122.19 1zwi h TRP 113 Ca 0.03 -0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.10 1zwi h TRP 113 Cb 0.99 0.28 -0.07 0.00 -2.10 0.00 0.00 29.16 28.25 1zwi h TRP 113 CO 0.05 -0.49 0.59 0.74 -2.79 0.00 0.00 178.44 176.54 1zwi h PHE 114 N -1.15 1.08 -0.26 2.65 0.04 -1.28 -1.36 116.94 116.66 1zwi h PHE 114 Ca -0.09 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 1zwi h PHE 114 Cb 0.72 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 1zwi h PHE 114 CO 0.00 0.48 -0.08 0.28 -0.60 0.00 0.00 178.31 178.39 1zwi h VAL 115 N 1.00 1.29 -0.31 -0.55 2.07 -1.08 -1.36 116.25 117.31 1zwi h VAL 115 Ca 0.44 -1.12 -0.10 0.00 0.82 0.00 0.00 66.70 66.74 1zwi h VAL 115 Cb 0.32 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1zwi h VAL 115 CO -0.22 0.35 -0.22 1.23 0.02 0.00 0.00 177.57 178.73 1zwi h GLY 116 N 0.26 0.63 1.58 2.17 0.00 -0.94 -2.82 103.07 103.95 1zwi h GLY 116 Ca 0.06 -0.51 -0.20 0.00 0.00 0.00 0.00 47.33 46.68 1zwi h GLY 116 CO 0.03 0.47 -0.79 -0.09 0.00 0.00 0.00 176.54 176.16 1zwi h ARG 117 N 0.52 0.40 0.00 4.80 1.12 -1.24 -2.91 114.38 117.07 1zwi h ARG 117 Ca 0.08 -0.35 -0.03 0.00 -1.11 0.00 0.00 59.98 58.56 1zwi h ARG 117 Cb 0.66 0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.70 1zwi h ARG 117 CO 0.05 1.01 -0.16 1.49 -3.11 0.00 0.00 179.97 179.25 1zwi h GLU 118 N 0.26 0.00 -0.37 0.20 4.57 -1.11 -1.04 114.58 117.08 1zwi h GLU 118 Ca -0.04 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 1zwi h GLU 118 Cb 1.39 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.96 1zwi h GLU 118 CO 0.14 0.16 0.08 1.96 -1.18 0.00 0.00 179.01 180.16 1zwi h GLN 119 N 0.00 0.60 -0.29 1.92 1.08 -1.31 -2.92 115.11 114.19 1zwi h GLN 119 Ca -0.00 -0.15 0.04 0.00 -1.45 0.00 0.00 58.65 57.08 1zwi h GLN 119 Cb 0.30 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 1zwi h GLN 119 CO 0.02 0.65 0.08 0.93 -0.95 0.00 0.00 178.83 179.56 1zwi h GLU 120 N 0.45 0.19 0.00 1.46 5.08 -1.10 -0.33 114.58 120.33 1zwi h GLU 120 Ca 0.11 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1zwi h GLU 120 Cb 0.33 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1zwi h GLU 120 CO 0.00 0.13 0.00 -2.13 -1.00 0.00 0.00 179.01 176.01 1zwi n ARG 121 N -5.06 0.32 0.00 2.33 0.63 -0.75 -0.51 116.66 113.62 1zwi n ARG 121 Ca -0.00 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.96 1zwi n ARG 121 Cb 0.12 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 31.55 1zwi n ARG 121 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1zwi n ARG 122 N -0.98 2.21 0.00 -0.14 1.74 -0.18 -5.03 116.66 114.28 1zwi n ARG 122 Ca 0.07 -0.49 0.00 0.00 -0.77 0.00 0.00 57.85 56.66 1zwi n ARG 122 Cb 0.03 -0.97 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 1zwi n ARG 122 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1zwi n GLY 123 N 0.71 2.54 0.00 -0.13 0.00 0.34 -5.08 105.19 103.56 1zwi n GLY 123 Ca 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1zwi n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32