#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qto n LEU 24 N 0.00 1.64 -0.28 0.00 7.94 -1.26 -4.40 117.00 120.64 2qto n LEU 24 Ca 0.00 0.26 0.08 0.00 -1.11 0.00 0.00 56.01 55.25 2qto n LEU 24 Cb 0.00 -0.61 0.23 0.00 0.53 0.00 0.00 43.42 43.57 2qto n LEU 24 CO 0.00 -0.33 1.04 1.12 -1.11 0.00 0.00 177.39 178.10 2qto h HIS 25 N -0.68 0.59 0.00 1.96 2.07 -1.99 0.85 115.15 117.95 2qto h HIS 25 Ca -0.06 0.04 -0.10 0.00 -2.85 0.00 0.00 60.37 57.40 2qto h HIS 25 Cb 0.77 -0.13 -0.01 0.00 2.57 0.00 0.00 27.41 30.60 2qto h HIS 25 CO -0.27 0.04 -0.48 2.35 -3.07 0.00 0.00 177.93 176.50 2qto h TRP 26 N 0.45 0.00 0.00 6.12 -0.00 -1.89 -3.19 115.95 117.45 2qto h TRP 26 Ca 0.47 0.00 -0.37 0.00 -0.00 0.00 0.00 58.89 58.99 2qto h TRP 26 Cb 0.77 0.00 -0.07 0.00 -0.00 0.00 0.00 29.16 29.86 2qto h TRP 26 CO -0.15 0.48 -2.35 0.54 -0.00 0.00 0.00 178.44 176.97 2qto n ARG 27 N -3.47 0.68 -0.09 2.65 1.74 -0.15 -3.72 116.66 114.30 2qto n ARG 27 Ca 0.00 0.04 -0.06 0.00 -0.77 0.00 0.00 57.85 57.06 2qto n ARG 27 Cb 0.61 -1.54 0.13 0.00 -1.02 0.00 0.00 32.46 30.64 2qto n ARG 27 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qto h ALA 28 N 0.85 1.00 0.24 7.54 0.00 0.54 -2.46 119.26 126.97 2qto h ALA 28 Ca -0.53 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.05 2qto h ALA 28 Cb 2.18 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2qto h ALA 28 CO 0.02 0.60 -0.12 0.00 0.00 0.00 0.00 179.25 179.75 2qto h ALA 29 N 1.17 -0.33 -0.76 0.00 0.00 -1.74 -1.47 119.26 116.14 2qto h ALA 29 Ca 0.12 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.05 2qto h ALA 29 Cb 0.60 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2qto h ALA 29 CO 0.04 -0.54 0.53 0.78 0.00 0.00 0.00 179.25 180.06 2qto h GLY 30 N -0.63 0.37 1.97 0.00 0.00 -1.63 -0.15 103.07 103.00 2qto h GLY 30 Ca -0.03 -0.09 -0.21 0.00 0.00 0.00 0.00 47.33 47.00 2qto h GLY 30 CO 0.06 0.01 -0.98 0.00 0.00 0.00 0.00 176.54 175.63 2qto h ALA 31 N 1.64 0.39 -0.13 3.60 0.00 -1.33 -3.18 119.26 120.25 2qto h ALA 31 Ca 0.37 -0.88 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 2qto h ALA 31 Cb 1.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2qto h ALA 31 CO -0.07 1.19 -0.34 0.00 0.00 0.00 0.00 179.25 180.02 2qto h ALA 32 N 1.00 1.17 -0.03 0.00 0.00 0.06 -1.70 119.26 119.77 2qto h ALA 32 Ca -0.02 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 2qto h ALA 32 Cb 1.72 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 2qto h ALA 32 CO 0.13 0.55 -0.65 1.79 0.00 0.00 0.00 179.25 181.07 2qto h THR 33 N 0.24 1.43 -0.13 0.00 1.35 -1.45 0.54 112.91 114.89 2qto h THR 33 Ca 0.03 -2.15 -0.09 0.00 -0.55 0.00 0.00 66.41 63.65 2qto h THR 33 Cb 0.72 2.14 -0.01 0.00 -1.73 0.00 0.00 68.15 69.27 2qto h THR 33 CO 0.05 0.62 -0.32 0.58 -0.25 0.00 0.00 175.52 176.21 2qto h VAL 34 N 0.08 1.27 -0.04 6.82 2.07 -1.48 -2.83 116.25 122.14 2qto h VAL 34 Ca -0.01 -1.31 -0.18 0.00 0.82 0.00 0.00 66.70 66.02 2qto h VAL 34 Cb 1.16 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 2qto h VAL 34 CO 0.09 0.39 -0.77 0.25 0.02 0.00 0.00 177.57 177.56 2qto h LEU 35 N 0.23 0.34 -0.53 2.57 5.85 -0.74 -3.16 115.31 119.86 2qto h LEU 35 Ca 0.03 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.44 2qto h LEU 35 Cb 0.69 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2qto h LEU 35 CO 0.05 0.98 0.05 0.25 -0.34 0.00 0.00 178.44 179.43 2qto h LEU 36 N 0.18 0.89 -0.69 2.25 5.85 -0.76 -2.25 115.31 120.78 2qto h LEU 36 Ca -0.03 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.45 2qto h LEU 36 Cb 1.35 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 2qto h LEU 36 CO 0.12 0.95 0.41 0.58 -0.34 0.00 0.00 178.44 180.17 2qto h VAL 37 N 0.79 1.04 -0.17 1.05 2.07 -1.57 -1.15 116.25 118.31 2qto h VAL 37 Ca 0.16 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.45 2qto h VAL 37 Cb 0.47 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 2qto h VAL 37 CO 0.02 0.14 -0.14 0.40 0.02 0.00 0.00 177.57 178.02 2qto h ILE 38 N 0.79 0.61 -0.63 4.57 2.04 -1.46 -2.18 117.51 121.25 2qto h ILE 38 Ca 0.29 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.11 2qto h ILE 38 Cb 0.09 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 2qto h ILE 38 CO -0.14 0.00 0.22 1.62 0.00 0.00 0.00 178.15 179.85 2qto h VAL 39 N -0.15 1.23 0.77 1.67 3.04 -1.04 -1.17 116.25 120.61 2qto h VAL 39 Ca 0.11 -0.76 -0.04 0.00 -1.01 0.00 0.00 66.70 65.00 2qto h VAL 39 Cb 0.30 0.51 0.01 0.00 -2.01 0.00 0.00 31.29 30.10 2qto h VAL 39 CO -0.26 0.30 -0.37 -0.07 -1.01 0.00 0.00 177.57 176.15 2qto h LEU 40 N 0.92 -0.88 -0.69 3.16 3.38 -0.97 0.39 115.31 120.61 2qto h LEU 40 Ca 0.21 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.22 2qto h LEU 40 Cb 0.22 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 2qto h LEU 40 CO -0.01 -0.60 0.44 -0.07 0.09 0.00 0.00 178.44 178.29 2qto h LEU 41 N -1.08 0.75 -0.54 1.67 3.38 -1.32 0.30 115.31 118.46 2qto h LEU 41 Ca -0.11 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.73 2qto h LEU 41 Cb 0.80 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2qto h LEU 41 CO 0.17 0.53 -0.19 0.00 0.09 0.00 0.00 178.44 179.04 2qto h ALA 42 N 1.27 0.74 -0.23 1.53 0.00 -1.21 -2.19 119.26 119.17 2qto h ALA 42 Ca 0.26 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2qto h ALA 42 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2qto h ALA 42 CO -0.08 0.67 -0.03 0.78 0.00 0.00 0.00 179.25 180.58 2qto h GLY 43 N 0.90 0.46 0.55 0.00 0.00 0.25 -1.19 103.07 104.04 2qto h GLY 43 Ca 0.11 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 47.11 2qto h GLY 43 CO 0.06 0.33 -0.14 1.76 0.00 0.00 0.00 176.54 178.55 2qto h SER 44 N 0.17 -0.43 1.43 0.19 0.02 -0.42 0.15 113.55 114.65 2qto h SER 44 Ca 0.06 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2qto h SER 44 Cb 0.47 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2qto h SER 44 CO 0.02 -0.19 0.00 1.88 -1.14 0.00 0.00 176.83 177.40 2qto h TYR 45 N -0.20 0.00 0.12 3.45 -1.99 -1.41 -2.62 116.97 114.33 2qto h TYR 45 Ca 0.08 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.48 2qto h TYR 45 Cb 0.30 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.02 2qto h TYR 45 CO -0.24 0.00 -1.67 1.25 -0.00 0.00 0.00 178.16 177.51 2qto h LEU 46 N 0.00 0.40 -0.93 3.88 5.85 -0.92 -3.35 115.31 120.24 2qto h LEU 46 Ca 0.00 -0.63 -0.07 0.00 0.84 0.00 0.00 57.88 58.02 2qto h LEU 46 Cb 0.71 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2qto h LEU 46 CO 0.00 1.54 -0.02 0.00 -0.34 0.00 0.00 178.44 179.61 2qto h ALA 47 N 0.40 1.11 0.59 1.25 0.00 -0.56 -2.75 119.26 119.31 2qto h ALA 47 Ca -0.30 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2qto h ALA 47 Cb 2.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 2qto h ALA 47 CO 0.15 0.56 -0.39 0.28 0.00 0.00 0.00 179.25 179.85 2qto h VAL 48 N 0.70 0.21 0.00 0.00 2.07 -1.63 -1.91 116.25 115.69 2qto h VAL 48 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 2qto h VAL 48 Cb 0.46 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2qto h VAL 48 CO 0.02 0.00 0.00 0.17 0.02 0.00 0.00 177.57 177.78 2qto h LEU 49 N -0.94 0.00 0.00 2.57 8.10 -1.68 0.15 115.31 123.52 2qto h LEU 49 Ca -0.07 0.00 -0.24 0.00 0.11 0.00 0.00 57.88 57.68 2qto h LEU 49 Cb 0.77 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.99 2qto h LEU 49 CO 0.06 0.00 -1.10 0.00 -4.11 0.00 0.00 178.44 173.29 2qto h ALA 50 N 2.01 0.25 0.00 0.17 0.00 -1.22 -3.40 119.26 117.07 2qto h ALA 50 Ca 0.00 -0.85 -0.21 0.00 0.00 0.00 0.00 54.91 53.85 2qto h ALA 50 Cb 0.20 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2qto h ALA 50 CO 0.00 1.02 -1.90 0.39 0.00 0.00 0.00 179.25 178.76 2qto n GLU 51 N -3.53 1.51 -0.34 0.00 -0.58 -0.65 -4.69 120.64 112.36 2qto n GLU 51 Ca -0.05 -0.03 0.16 0.00 -0.42 0.00 0.00 57.16 56.82 2qto n GLU 51 Cb 0.95 -1.35 0.37 0.00 -0.57 0.00 0.00 31.44 30.84 2qto n GLU 51 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2qto h ARG 52 N 0.00 0.58 -0.59 3.49 2.43 -0.84 -1.52 114.38 117.93 2qto h ARG 52 Ca -0.31 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2qto h ARG 52 Cb 1.64 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.06 2qto h ARG 52 CO 0.02 0.38 0.00 0.41 -1.51 0.00 0.00 179.97 179.27 2qto n GLY 53 N -1.32 1.86 3.78 2.80 0.00 -1.26 -4.94 105.19 106.11 2qto n GLY 53 Ca 0.26 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 2qto n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qto s ALA 54 N -1.60 3.55 -0.70 4.61 0.00 -0.57 -5.02 121.76 122.03 2qto s ALA 54 Ca 0.37 -1.58 -0.07 0.00 0.00 0.00 0.00 51.96 50.68 2qto s ALA 54 Cb 0.22 -1.08 -0.06 0.00 0.00 0.00 0.00 23.12 22.20 2qto s ALA 54 CO 0.20 0.17 1.86 -2.30 0.00 0.00 0.00 175.76 175.69 2qto n PRO 55 N -1.16 1.57 -3.93 0.00 -0.02 -1.26 -4.89 135.00 125.30 2qto n PRO 55 Ca -0.05 -1.30 -0.09 0.00 -2.02 0.00 0.00 63.50 60.03 2qto n PRO 55 Cb 0.59 -2.41 -0.07 0.00 -0.02 0.00 0.00 33.50 31.59 2qto n PRO 55 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2qto s GLY 56 N 3.97 0.38 1.01 -1.23 0.00 -1.26 -5.07 107.32 105.12 2qto s GLY 56 Ca 0.34 -0.80 -0.18 0.00 0.00 0.00 0.00 44.72 44.08 2qto s GLY 56 CO -0.00 -0.80 -0.37 0.00 0.00 0.00 0.00 173.10 171.92 2qto n ALA 57 N -0.19 -4.34 0.11 3.20 0.00 -1.26 -4.67 120.51 113.36 2qto n ALA 57 Ca -0.09 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.46 2qto n ALA 57 Cb 0.63 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2qto n ALA 57 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2qto n GLN 58 N 0.22 0.11 -0.67 0.00 7.27 -1.26 -4.27 117.38 118.78 2qto n GLN 58 Ca 0.01 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.93 2qto n GLN 58 Cb 0.60 -1.13 -0.06 0.00 2.41 0.00 0.00 30.24 32.06 2qto n GLN 58 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2qto n LEU 59 N 0.55 4.07 0.00 1.69 4.77 -1.26 -3.33 117.00 123.49 2qto n LEU 59 Ca 0.00 -2.50 0.00 0.00 -0.03 0.00 0.00 56.01 53.48 2qto n LEU 59 Cb 0.03 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 2qto n LEU 59 CO 0.00 0.71 -0.04 2.30 -1.33 0.00 0.00 177.39 179.03 2qto n ILE 60 N 3.48 0.00 -4.34 -0.08 -5.35 -1.26 -3.83 119.36 107.99 2qto n ILE 60 Ca 0.35 -0.21 -0.25 0.00 -0.27 0.00 0.00 62.75 62.38 2qto n ILE 60 Cb 0.32 0.87 -0.12 0.00 -1.74 0.00 0.00 39.64 38.97 2qto n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2qto s THR 61 N -0.59 1.93 0.03 7.28 -4.23 -1.21 -4.92 115.64 113.93 2qto s THR 61 Ca 0.00 -1.74 -0.26 0.00 -1.18 0.00 0.00 61.69 58.51 2qto s THR 61 Cb 0.00 -1.79 -0.17 0.00 1.34 0.00 0.00 72.50 71.88 2qto s THR 61 CO 0.00 -0.10 1.40 1.88 -0.54 0.00 0.00 174.62 177.26 2qto h TYR 62 N 3.72 -0.31 0.00 3.99 0.05 -1.92 -2.61 116.97 119.89 2qto h TYR 62 Ca -0.46 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.31 2qto h TYR 62 Cb 1.19 0.10 0.00 0.00 1.01 0.00 0.00 36.73 39.03 2qto h TYR 62 CO 0.64 -0.03 0.04 -2.30 -1.05 0.00 0.00 178.16 175.46 2qto n PRO 63 N -5.13 0.00 -0.07 4.88 -0.02 -1.26 0.11 135.00 133.51 2qto n PRO 63 Ca -0.09 0.28 -0.06 0.00 -2.02 0.00 0.00 63.50 61.60 2qto n PRO 63 Cb 0.23 -1.54 -0.12 0.00 -0.02 0.00 0.00 33.50 32.04 2qto n PRO 63 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qto n ARG 64 N -1.26 1.38 0.05 -0.52 3.00 -1.18 -4.17 116.66 113.96 2qto n ARG 64 Ca 0.00 -0.02 -0.06 0.00 -0.01 0.00 0.00 57.85 57.76 2qto n ARG 64 Cb 0.04 -1.40 0.12 0.00 0.00 0.00 0.00 32.46 31.22 2qto n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qto h ALA 65 N 0.83 0.85 -0.48 7.54 0.00 0.06 -1.57 119.26 126.49 2qto h ALA 65 Ca -0.39 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.01 2qto h ALA 65 Cb 1.87 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 2qto h ALA 65 CO 0.02 0.68 0.27 -0.07 0.00 0.00 0.00 179.25 180.15 2qto h LEU 66 N 0.29 0.60 -1.19 0.00 3.38 -1.46 -0.72 115.31 116.20 2qto h LEU 66 Ca 0.01 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2qto h LEU 66 Cb 1.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2qto h LEU 66 CO 0.09 0.51 -0.19 -0.25 0.09 0.00 0.00 178.44 178.69 2qto h TRP 67 N 0.63 0.35 -0.43 1.13 2.91 -1.70 -2.72 115.95 116.13 2qto h TRP 67 Ca 0.17 -0.06 -0.14 0.00 1.13 0.00 0.00 58.89 59.99 2qto h TRP 67 Cb 0.05 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 28.59 2qto h TRP 67 CO -0.02 0.51 -0.29 2.35 -1.03 0.00 0.00 178.44 179.95 2qto h TRP 68 N 0.30 1.12 0.13 2.65 7.01 -0.81 -1.82 115.95 124.53 2qto h TRP 68 Ca 0.05 -0.30 0.01 0.00 2.11 0.00 0.00 58.89 60.76 2qto h TRP 68 Cb 0.51 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.30 2qto h TRP 68 CO 0.01 1.13 -0.23 0.77 -2.79 0.00 0.00 178.44 177.33 2qto h SER 69 N 0.79 -0.65 -0.49 2.65 0.02 -0.90 0.54 113.55 115.51 2qto h SER 69 Ca 0.08 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 2qto h SER 69 Cb 0.88 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 2qto h SER 69 CO 0.08 -0.32 0.30 0.58 -1.14 0.00 0.00 176.83 176.32 2qto h VAL 70 N -0.43 1.06 -0.89 2.27 2.07 -1.49 0.41 116.25 119.24 2qto h VAL 70 Ca 0.03 -0.20 0.11 0.00 0.82 0.00 0.00 66.70 67.45 2qto h VAL 70 Cb 0.45 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 2qto h VAL 70 CO -0.12 0.11 0.57 -0.08 0.02 0.00 0.00 177.57 178.07 2qto h GLU 71 N 0.59 0.80 0.13 1.57 4.81 -0.95 -2.43 114.58 119.11 2qto h GLU 71 Ca 0.20 -0.05 -0.34 0.00 -0.13 0.00 0.00 59.36 59.04 2qto h GLU 71 Cb 0.01 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2qto h GLU 71 CO -0.09 0.53 -1.80 1.15 -0.73 0.00 0.00 179.01 178.07 2qto h THR 72 N 0.82 0.78 -0.04 0.32 2.02 0.13 -1.28 112.91 115.66 2qto h THR 72 Ca 0.43 -2.38 -0.08 0.00 0.77 0.00 0.00 66.41 65.14 2qto h THR 72 Cb 0.51 2.58 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 2qto h THR 72 CO -0.19 0.82 -0.36 0.00 0.37 0.00 0.00 175.52 176.17 2qto h ALA 73 N 0.03 1.34 0.00 6.16 0.00 -0.21 0.46 119.26 127.03 2qto h ALA 73 Ca -0.38 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2qto h ALA 73 Cb 1.97 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2qto h ALA 73 CO 0.09 0.48 0.00 1.15 0.00 0.00 0.00 179.25 180.97 2qto h THR 74 N 0.07 0.00 -4.33 0.00 2.02 -1.59 -3.35 112.91 105.72 2qto h THR 74 Ca 0.01 -0.69 -0.40 0.00 0.77 0.00 0.00 66.41 66.10 2qto h THR 74 Cb 0.66 1.66 0.03 0.00 -1.74 0.00 0.00 68.15 68.77 2qto h THR 74 CO 0.05 0.00 -0.58 0.35 0.37 0.00 0.00 175.52 175.70 2qto n THR 75 N -2.90 -1.72 -0.03 3.16 -2.24 0.15 -4.93 114.28 105.78 2qto n THR 75 Ca 0.03 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.66 2qto n THR 75 Cb 0.41 -3.20 -0.10 0.00 -2.10 0.00 0.00 70.33 65.34 2qto n THR 75 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2qto h VAL 76 N -1.10 1.47 -6.00 2.28 2.07 -1.52 -3.50 116.25 109.95 2qto h VAL 76 Ca -0.51 -1.72 -0.22 0.00 0.82 0.00 0.00 66.70 65.06 2qto h VAL 76 Cb 1.36 2.46 0.01 0.00 -1.52 0.00 0.00 31.29 33.60 2qto h VAL 76 CO 0.56 0.48 -0.76 0.61 0.02 0.00 0.00 177.57 178.48 2qto n GLY 77 N 0.76 -0.82 0.08 2.17 0.00 -0.62 -4.94 105.19 101.81 2qto n GLY 77 Ca -0.09 0.96 -0.12 0.00 0.00 0.00 0.00 46.02 46.78 2qto n GLY 77 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2qto h TYR 78 N 1.29 0.15 0.00 1.61 0.05 -1.90 -3.48 116.97 114.69 2qto h TYR 78 Ca -0.31 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.45 2qto h TYR 78 Cb 1.21 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.91 2qto h TYR 78 CO 0.11 0.31 0.00 0.41 -1.05 0.00 0.00 178.16 177.94 2qto n GLY 79 N -0.52 1.39 0.17 3.88 0.00 -1.26 -4.97 105.19 103.89 2qto n GLY 79 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.09 2qto n GLY 79 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2qto h ASP 80 N 0.00 0.00 -4.26 1.61 2.03 -2.03 -3.43 116.42 110.33 2qto h ASP 80 Ca 0.00 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.21 2qto h ASP 80 Cb 0.00 0.00 -0.22 0.00 -0.83 0.00 0.00 39.33 38.28 2qto h ASP 80 CO 0.00 0.00 -0.11 -0.76 -1.03 0.00 0.00 179.24 177.34 2qto s LEU 81 N -4.77 0.10 -0.09 0.15 1.43 -1.26 -4.79 118.68 109.45 2qto s LEU 81 Ca 0.01 0.81 -0.32 0.00 -1.03 0.00 0.00 54.13 53.60 2qto s LEU 81 Cb 0.08 1.77 0.12 0.00 0.03 0.00 0.00 46.19 48.19 2qto s LEU 81 CO 0.33 -0.28 1.17 -0.72 0.23 0.00 0.00 176.35 177.07 2qto s TYR 82 N -0.22 -0.13 0.40 0.29 1.13 -1.26 -4.90 117.35 112.66 2qto s TYR 82 Ca -0.04 0.04 -0.17 0.00 -1.41 0.00 0.00 57.07 55.49 2qto s TYR 82 Cb -0.03 0.54 -0.09 0.00 -1.10 0.00 0.00 41.96 41.27 2qto s TYR 82 CO 0.03 -0.32 0.86 -1.25 -2.51 0.00 0.00 175.55 172.36 2qto s PRO 83 N -2.58 4.07 0.00 -3.49 0.04 -1.26 -4.55 135.00 127.23 2qto s PRO 83 Ca 0.10 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2qto s PRO 83 Cb 0.01 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2qto s PRO 83 CO -0.04 0.00 0.11 0.28 0.04 0.00 0.00 177.00 177.39 2qto n VAL 84 N -0.73 0.00 -3.25 -0.36 0.31 -1.26 -4.86 118.33 108.19 2qto n VAL 84 Ca 0.05 -0.41 -0.32 0.00 -0.01 0.00 0.00 64.34 63.65 2qto n VAL 84 Cb 0.54 1.05 -0.06 0.00 -0.91 0.00 0.00 33.84 34.46 2qto n VAL 84 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2qto s THR 85 N -0.61 4.77 0.15 2.52 2.01 -1.26 -4.99 115.64 118.24 2qto s THR 85 Ca 0.00 0.78 -0.16 0.00 0.31 0.00 0.00 61.69 62.62 2qto s THR 85 Cb 0.00 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.91 2qto s THR 85 CO 0.00 -0.12 1.80 0.25 -0.69 0.00 0.00 174.62 175.86 2qto h LEU 86 N 2.43 0.50 -0.15 4.42 5.85 -1.96 0.09 115.31 126.49 2qto h LEU 86 Ca -0.47 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 2qto h LEU 86 Cb 1.17 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 2qto h LEU 86 CO 0.67 0.39 0.02 -0.50 -0.34 0.00 0.00 178.44 178.68 2qto h TRP 87 N 0.57 0.27 -0.17 1.25 -0.00 -1.95 -1.93 115.95 113.99 2qto h TRP 87 Ca 0.15 -0.04 0.05 0.00 -0.00 0.00 0.00 58.89 59.05 2qto h TRP 87 Cb -0.03 -0.07 -0.01 0.00 -0.00 0.00 0.00 29.16 29.05 2qto h TRP 87 CO -0.04 0.43 0.14 0.78 -0.00 0.00 0.00 178.44 179.75 2qto h GLY 88 N 0.02 0.00 1.96 1.49 0.00 -1.81 -1.44 103.07 103.29 2qto h GLY 88 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.27 2qto h GLY 88 CO 0.00 0.00 -0.55 3.21 0.00 0.00 0.00 176.54 179.21 2qto h ARG 89 N 0.00 0.00 0.63 4.80 3.08 -0.66 -2.78 114.38 119.46 2qto h ARG 89 Ca 0.08 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 2qto h ARG 89 Cb 0.35 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.41 2qto h ARG 89 CO -0.00 0.50 -0.30 0.00 -1.07 0.00 0.00 179.97 179.09 2qto h VAL 91 N -1.13 0.02 0.10 0.00 2.07 -1.46 -0.55 116.25 115.30 2qto h VAL 91 Ca -0.09 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.44 2qto h VAL 91 Cb 0.69 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 2qto h VAL 91 CO 0.14 0.00 -0.38 0.00 0.02 0.00 0.00 177.57 177.35 2qto h ALA 92 N 1.99 -0.88 -0.83 1.67 0.00 -1.40 -1.71 119.26 118.10 2qto h ALA 92 Ca 0.66 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.65 2qto h ALA 92 Cb 1.49 0.77 -0.16 0.00 0.00 0.00 0.00 17.79 19.89 2qto h ALA 92 CO -0.88 -0.97 -0.23 0.28 0.00 0.00 0.00 179.25 177.44 2qto h VAL 93 N -0.55 0.16 0.13 0.00 2.07 -0.93 0.31 116.25 117.44 2qto h VAL 93 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 2qto h VAL 93 Cb 0.55 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 2qto h VAL 93 CO -0.20 0.00 -0.36 0.58 0.02 0.00 0.00 177.57 177.61 2qto h VAL 94 N -0.01 0.26 0.00 2.57 2.07 -1.07 -0.64 116.25 119.42 2qto h VAL 94 Ca 0.39 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.87 2qto h VAL 94 Cb 0.60 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2qto h VAL 94 CO -0.85 0.00 -0.18 1.62 0.02 0.00 0.00 177.57 178.18 2qto h VAL 95 N -0.60 0.95 0.70 2.57 3.04 -0.17 -1.02 116.25 121.72 2qto h VAL 95 Ca 0.03 -0.66 -0.03 0.00 -1.01 0.00 0.00 66.70 65.02 2qto h VAL 95 Cb 0.62 1.38 0.01 0.00 -2.01 0.00 0.00 31.29 31.28 2qto h VAL 95 CO -0.20 0.18 -0.34 0.24 -1.01 0.00 0.00 177.57 176.44 2qto h MET 96 N 0.00 -0.91 -0.36 4.17 2.07 0.27 -2.72 114.93 117.45 2qto h MET 96 Ca -0.00 0.06 -0.06 0.00 -2.07 0.00 0.00 59.70 57.63 2qto h MET 96 Cb 0.36 0.21 -0.02 0.00 -1.87 0.00 0.00 31.60 30.28 2qto h MET 96 CO 0.02 -0.61 -0.03 -0.39 1.07 0.00 0.00 176.91 176.98 2qto h VAL 97 N -1.03 1.21 -1.00 -2.22 -1.51 -1.05 -1.73 116.25 108.93 2qto h VAL 97 Ca -0.10 -0.88 0.13 0.00 -1.23 0.00 0.00 66.70 64.62 2qto h VAL 97 Cb 0.72 0.97 -0.09 0.00 -2.13 0.00 0.00 31.29 30.77 2qto h VAL 97 CO 0.16 0.30 0.63 0.00 -1.23 0.00 0.00 177.57 177.42 2qto h ALA 98 N 1.43 1.56 0.15 5.19 0.00 -1.25 0.32 119.26 126.67 2qto h ALA 98 Ca 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2qto h ALA 98 Cb 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2qto h ALA 98 CO 0.02 0.17 -0.07 0.78 0.00 0.00 0.00 179.25 180.15 2qto h GLY 99 N 0.95 -0.21 0.48 0.00 0.00 -1.05 -2.53 103.07 100.71 2qto h GLY 99 Ca 0.50 0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.92 2qto h GLY 99 CO -0.27 -0.07 -0.37 -2.22 0.00 0.00 0.00 176.54 173.61 2qto h ILE 100 N -0.76 0.25 0.46 2.60 2.04 -0.90 -1.09 117.51 120.10 2qto h ILE 100 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 2qto h ILE 100 Cb 0.53 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2qto h ILE 100 CO 0.03 0.00 -0.38 0.74 0.00 0.00 0.00 178.15 178.55 2qto h THR 101 N -0.67 0.23 -0.09 -0.27 2.02 -0.51 -0.56 112.91 113.06 2qto h THR 101 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 2qto h THR 101 Cb 0.65 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2qto h THR 101 CO -0.14 0.00 -0.18 0.77 0.37 0.00 0.00 175.52 176.34 2qto h SER 102 N -0.84 0.14 1.17 4.18 4.64 -1.43 0.10 113.55 121.51 2qto h SER 102 Ca -0.05 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 2qto h SER 102 Cb 0.72 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2qto h SER 102 CO -0.01 0.33 -0.14 -0.26 -0.87 0.00 0.00 176.83 175.88 2qto h PHE 103 N 0.14 0.00 -0.18 4.77 0.04 -1.07 -3.10 116.94 117.55 2qto h PHE 103 Ca 0.03 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.69 2qto h PHE 103 Cb 0.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.55 2qto h PHE 103 CO 0.00 0.14 -0.32 0.78 -0.60 0.00 0.00 178.31 178.31 2qto h GLY 104 N 2.48 0.58 0.43 -1.45 0.00 0.83 -3.03 103.07 102.91 2qto h GLY 104 Ca -0.00 -0.68 0.12 0.00 0.00 0.00 0.00 47.33 46.78 2qto h GLY 104 CO 0.02 0.61 0.59 1.41 0.00 0.00 0.00 176.54 179.16 2qto h LEU 105 N 0.18 0.84 -0.95 3.11 4.07 -1.22 0.88 115.31 122.22 2qto h LEU 105 Ca 0.01 0.06 -0.10 0.00 0.08 0.00 0.00 57.88 57.92 2qto h LEU 105 Cb 0.91 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.53 2qto h LEU 105 CO 0.07 0.43 -0.39 0.58 -1.08 0.00 0.00 178.44 178.06 2qto h VAL 106 N 0.91 1.30 -0.25 1.22 2.07 -1.54 0.44 116.25 120.41 2qto h VAL 106 Ca 0.48 -1.47 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 2qto h VAL 106 Cb 0.51 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2qto h VAL 106 CO -0.28 0.44 -0.10 0.74 0.02 0.00 0.00 177.57 178.40 2qto h THR 107 N 0.23 1.29 -0.72 2.57 2.02 -1.20 -2.80 112.91 114.31 2qto h THR 107 Ca 0.02 -1.15 0.01 0.00 0.77 0.00 0.00 66.41 66.07 2qto h THR 107 Cb 0.79 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 68.69 2qto h THR 107 CO 0.06 0.36 0.47 0.00 0.37 0.00 0.00 175.52 176.78 2qto h ALA 108 N 0.74 0.92 -0.42 6.16 0.00 -0.37 -0.17 119.26 126.12 2qto h ALA 108 Ca 0.06 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2qto h ALA 108 Cb 0.58 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2qto h ALA 108 CO 0.03 0.30 0.17 0.00 0.00 0.00 0.00 179.25 179.76 2qto h ALA 109 N 1.28 0.51 0.00 0.00 0.00 -0.14 -2.33 119.26 118.57 2qto h ALA 109 Ca 0.27 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 2qto h ALA 109 Cb -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2qto h ALA 109 CO -0.07 -0.20 -0.51 -0.07 0.00 0.00 0.00 179.25 178.39 2qto h LEU 110 N 0.36 0.00 -0.95 0.00 3.38 -1.20 -2.35 115.31 114.54 2qto h LEU 110 Ca 0.19 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 2qto h LEU 110 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2qto h LEU 110 CO -0.17 0.51 -0.38 0.00 0.09 0.00 0.00 178.44 178.49 2qto h ALA 111 N 1.49 1.11 0.00 1.53 0.00 -0.53 -1.91 119.26 120.95 2qto h ALA 111 Ca -0.01 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 2qto h ALA 111 Cb 0.93 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2qto h ALA 111 CO 0.07 0.58 -1.16 1.79 0.00 0.00 0.00 179.25 180.52 2qto h THR 112 N 0.24 0.47 -0.23 0.00 1.35 -1.35 -2.05 112.91 111.34 2qto h THR 112 Ca 0.02 -1.85 -0.08 0.00 -0.55 0.00 0.00 66.41 63.96 2qto h THR 112 Cb 0.78 2.01 -0.01 0.00 -1.73 0.00 0.00 68.15 69.20 2qto h THR 112 CO 0.06 0.27 -0.21 -0.25 -0.25 0.00 0.00 175.52 175.14 2qto h TRP 113 N 0.00 0.45 0.07 4.73 7.01 -1.32 0.80 115.95 127.69 2qto h TRP 113 Ca -0.11 -0.08 -0.24 0.00 2.11 0.00 0.00 58.89 60.57 2qto h TRP 113 Cb 1.44 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 28.38 2qto h TRP 113 CO 0.00 0.60 -1.11 0.74 -2.79 0.00 0.00 178.44 175.88 2qto h PHE 114 N 0.37 0.38 -0.12 2.65 0.04 -1.39 -3.24 116.94 115.62 2qto h PHE 114 Ca 0.06 -0.26 -0.14 0.00 2.80 0.00 0.00 57.97 60.44 2qto h PHE 114 Cb 0.58 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.70 2qto h PHE 114 CO 0.02 1.16 -0.52 0.28 -0.60 0.00 0.00 178.31 178.65 2qto h VAL 115 N 0.08 1.34 0.00 -0.55 2.07 -1.12 -3.08 116.25 114.99 2qto h VAL 115 Ca -0.09 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.65 2qto h VAL 115 Cb 1.82 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 2qto h VAL 115 CO 0.17 0.54 0.00 0.61 0.02 0.00 0.00 177.57 178.91 2qto n GLY 116 N 0.12 0.57 2.46 2.17 0.00 0.28 -2.88 105.19 107.90 2qto n GLY 116 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 2qto n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qto n ARG 117 N 0.19 1.92 0.03 1.61 1.74 -1.16 -4.82 116.66 116.16 2qto n ARG 117 Ca 0.00 -4.06 0.11 0.00 -0.77 0.00 0.00 57.85 53.13 2qto n ARG 117 Cb 0.10 -1.88 -0.02 0.00 -1.02 0.00 0.00 32.46 29.64 2qto n ARG 117 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2qto n GLU 118 N 0.46 0.39 0.00 5.56 0.28 -1.14 -5.07 120.64 121.12 2qto n GLU 118 Ca 0.27 -0.02 0.02 0.00 -0.16 0.00 0.00 57.16 57.27 2qto n GLU 118 Cb 0.50 -1.61 0.14 0.00 1.43 0.00 0.00 31.44 31.90 2qto n GLU 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97