#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 1.61 -0.28 0.00 7.94 -1.26 -4.41 117.00 120.60 2qto n LEU 24 Ca 0.00 0.26 0.07 0.00 -1.11 0.00 0.00 56.01 55.23 2qto n LEU 24 Cb 0.00 -0.60 0.22 0.00 0.53 0.00 0.00 43.42 43.57 2qto n LEU 24 CO 0.00 -0.29 1.05 1.12 -1.11 0.00 0.00 177.39 178.16 2qto h HIS 25 N -0.67 0.63 0.00 1.96 2.07 -1.98 0.88 115.15 118.03 2qto h HIS 25 Ca -0.08 0.04 -0.10 0.00 -2.85 0.00 0.00 60.37 57.37 2qto h HIS 25 Cb 0.80 -0.16 -0.01 0.00 2.57 0.00 0.00 27.41 30.61 2qto h HIS 25 CO -0.25 0.09 -0.49 2.35 -3.07 0.00 0.00 177.93 176.56 2qto h TRP 26 N 0.51 0.00 0.00 6.12 -0.00 -1.89 -3.19 115.95 117.50 2qto h TRP 26 Ca 0.45 0.00 -0.37 0.00 -0.00 0.00 0.00 58.89 58.98 2qto h TRP 26 Cb 0.70 0.00 -0.07 0.00 -0.00 0.00 0.00 29.16 29.79 2qto h TRP 26 CO -0.13 0.49 -2.36 0.54 -0.00 0.00 0.00 178.44 176.97 2qto n ARG 27 N -3.49 0.68 -0.06 2.65 1.74 -0.17 -3.71 116.66 114.30 2qto n ARG 27 Ca 0.00 0.03 -0.05 0.00 -0.77 0.00 0.00 57.85 57.06 2qto n ARG 27 Cb 0.61 -1.54 0.15 0.00 -1.02 0.00 0.00 32.46 30.66 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 0.86 1.03 0.24 7.54 0.00 0.60 -2.50 119.26 127.02 2qto h ALA 28 Ca -0.54 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.04 2qto h ALA 28 Cb 2.19 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.83 2qto h ALA 28 CO 0.02 0.58 -0.11 0.00 0.00 0.00 0.00 179.25 179.74 2qto h ALA 29 N 1.21 -0.32 -0.73 0.00 0.00 -1.73 -1.43 119.26 116.27 2qto h ALA 29 Ca 0.10 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.02 2qto h ALA 29 Cb 0.61 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2qto h ALA 29 CO 0.04 -0.52 0.50 0.78 0.00 0.00 0.00 179.25 180.05 2qto h GLY 30 N -0.63 0.32 1.94 0.00 0.00 -1.63 -0.33 103.07 102.74 2qto h GLY 30 Ca -0.03 -0.07 -0.22 0.00 0.00 0.00 0.00 47.33 47.00 2qto h GLY 30 CO 0.05 0.01 -1.03 0.00 0.00 0.00 0.00 176.54 175.58 2qto h ALA 31 N 1.65 0.32 -0.15 3.60 0.00 -1.34 -3.18 119.26 120.16 2qto h ALA 31 Ca 0.35 -0.90 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 2qto h ALA 31 Cb 1.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2qto h ALA 31 CO -0.06 1.20 -0.29 0.00 0.00 0.00 0.00 179.25 180.10 2qto h ALA 32 N 0.94 1.22 -0.01 0.00 0.00 0.06 -1.62 119.26 119.85 2qto h ALA 32 Ca -0.03 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 2qto h ALA 32 Cb 1.79 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 2qto h ALA 32 CO 0.14 0.52 -0.63 1.79 0.00 0.00 0.00 179.25 181.07 2qto h THR 33 N 0.26 1.44 -0.08 0.00 1.35 -1.46 0.51 112.91 114.93 2qto h THR 33 Ca 0.04 -2.13 -0.11 0.00 -0.55 0.00 0.00 66.41 63.66 2qto h THR 33 Cb 0.65 2.14 -0.01 0.00 -1.73 0.00 0.00 68.15 69.20 2qto h THR 33 CO 0.05 0.61 -0.43 0.58 -0.25 0.00 0.00 175.52 176.08 2qto h VAL 34 N 0.03 1.32 -0.04 6.82 2.07 -1.48 -2.86 116.25 122.11 2qto h VAL 34 Ca -0.01 -1.54 -0.18 0.00 0.82 0.00 0.00 66.70 65.79 2qto h VAL 34 Cb 1.12 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 2qto h VAL 34 CO 0.08 0.46 -0.76 0.25 0.02 0.00 0.00 177.57 177.62 2qto h LEU 35 N 0.15 0.31 -0.53 2.57 6.46 -0.68 -3.18 115.31 120.41 2qto h LEU 35 Ca 0.01 -0.22 -0.08 0.00 -0.12 0.00 0.00 57.88 57.47 2qto h LEU 35 Cb 0.82 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.64 2qto h LEU 35 CO 0.06 0.96 0.01 0.25 -0.62 0.00 0.00 178.44 179.11 2qto h LEU 36 N 0.17 0.91 -0.74 2.25 5.85 -0.78 -2.18 115.31 120.79 2qto h LEU 36 Ca -0.03 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.42 2qto h LEU 36 Cb 1.34 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 2qto h LEU 36 CO 0.12 0.99 0.47 0.58 -0.34 0.00 0.00 178.44 180.26 2qto h VAL 37 N 0.81 1.11 -0.15 1.05 2.07 -1.59 -1.22 116.25 118.33 2qto h VAL 37 Ca 0.15 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.40 2qto h VAL 37 Cb 0.51 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 2qto h VAL 37 CO 0.03 0.17 -0.15 0.40 0.02 0.00 0.00 177.57 178.04 2qto h ILE 38 N 0.92 0.60 -0.76 4.57 2.04 -1.47 -2.20 117.51 121.21 2qto h ILE 38 Ca 0.30 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.13 2qto h ILE 38 Cb 0.01 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 2qto h ILE 38 CO -0.11 0.00 0.37 0.58 0.00 0.00 0.00 178.15 178.99 2qto h VAL 39 N -0.17 1.24 0.81 1.67 2.07 -1.02 -1.17 116.25 119.67 2qto h VAL 39 Ca 0.10 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 2qto h VAL 39 Cb 0.32 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2qto h VAL 39 CO -0.25 0.28 -0.39 -0.07 0.02 0.00 0.00 177.57 177.17 2qto h LEU 40 N 1.08 -0.92 -0.65 2.57 3.38 -1.00 0.39 115.31 120.16 2qto h LEU 40 Ca 0.26 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.29 2qto h LEU 40 Cb 0.10 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2qto h LEU 40 CO -0.03 -0.63 0.39 -0.07 0.09 0.00 0.00 178.44 178.18 2qto h LEU 41 N -1.12 0.62 -0.58 1.67 3.38 -1.33 0.31 115.31 118.26 2qto h LEU 41 Ca -0.11 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 2qto h LEU 41 Cb 0.84 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2qto h LEU 41 CO 0.18 0.42 -0.18 0.00 0.09 0.00 0.00 178.44 178.95 2qto h ALA 42 N 1.30 0.77 -0.22 1.53 0.00 -1.21 -2.19 119.26 119.25 2qto h ALA 42 Ca 0.27 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2qto h ALA 42 Cb 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2qto h ALA 42 CO -0.13 0.66 -0.06 0.78 0.00 0.00 0.00 179.25 180.51 2qto h GLY 43 N 0.92 0.46 0.58 0.00 0.00 0.27 -1.35 103.07 103.95 2qto h GLY 43 Ca 0.12 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 47.10 2qto h GLY 43 CO 0.06 0.35 -0.13 1.76 0.00 0.00 0.00 176.54 178.58 2qto h SER 44 N 0.15 -0.39 1.40 0.19 0.02 -0.40 0.10 113.55 114.63 2qto h SER 44 Ca 0.05 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2qto h SER 44 Cb 0.51 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2qto h SER 44 CO 0.02 -0.17 0.00 1.88 -1.14 0.00 0.00 176.83 177.42 2qto h TYR 45 N -0.17 0.00 0.11 3.45 -1.99 -1.41 -2.63 116.97 114.32 2qto h TYR 45 Ca 0.07 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.48 2qto h TYR 45 Cb 0.28 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.99 2qto h TYR 45 CO -0.22 0.00 -1.66 1.25 -0.00 0.00 0.00 178.16 177.52 2qto h LEU 46 N 0.00 0.36 -0.92 3.88 5.85 -0.96 -3.35 115.31 120.17 2qto h LEU 46 Ca 0.00 -0.58 -0.09 0.00 0.84 0.00 0.00 57.88 58.05 2qto h LEU 46 Cb 0.70 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 2qto h LEU 46 CO 0.00 1.50 -0.13 0.00 -0.34 0.00 0.00 178.44 179.47 2qto h ALA 47 N 0.45 1.09 0.67 1.25 0.00 -0.64 -2.75 119.26 119.33 2qto h ALA 47 Ca -0.29 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 2qto h ALA 47 Cb 2.03 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 2qto h ALA 47 CO 0.14 0.56 -0.40 0.28 0.00 0.00 0.00 179.25 179.83 2qto h VAL 48 N 0.59 0.20 0.00 0.00 2.07 -1.63 -1.97 116.25 115.51 2qto h VAL 48 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2qto h VAL 48 Cb 0.56 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2qto h VAL 48 CO 0.04 0.00 0.00 0.17 0.02 0.00 0.00 177.57 177.80 2qto h LEU 49 N -1.00 0.00 0.01 2.57 8.10 -1.68 0.16 115.31 123.47 2qto h LEU 49 Ca -0.08 0.00 -0.23 0.00 0.11 0.00 0.00 57.88 57.67 2qto h LEU 49 Cb 0.80 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.01 2qto h LEU 49 CO 0.09 0.00 -1.08 0.00 -4.11 0.00 0.00 178.44 173.35 2qto h ALA 50 N 2.01 0.27 0.00 0.17 0.00 -1.26 -3.40 119.26 117.06 2qto h ALA 50 Ca 0.00 -0.87 -0.19 0.00 0.00 0.00 0.00 54.91 53.85 2qto h ALA 50 Cb 0.20 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2qto h ALA 50 CO 0.00 1.09 -1.84 0.39 0.00 0.00 0.00 179.25 178.89 2qto n GLU 51 N -3.47 1.58 -0.35 0.00 -0.58 -0.57 -4.69 120.64 112.57 2qto n GLU 51 Ca -0.04 -0.03 0.16 0.00 -0.42 0.00 0.00 57.16 56.83 2qto n GLU 51 Cb 0.95 -1.33 0.36 0.00 -0.57 0.00 0.00 31.44 30.85 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 0.61 -0.59 3.49 2.43 -0.84 -1.73 114.38 117.75 2qto h ARG 52 Ca -0.28 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2qto h ARG 52 Cb 1.56 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 2qto h ARG 52 CO 0.02 0.41 0.00 0.41 -1.51 0.00 0.00 179.97 179.29 2qto n GLY 53 N -1.32 1.86 3.79 2.80 0.00 -1.26 -4.94 105.19 106.12 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 -1.61 3.60 -0.76 4.61 0.00 -0.65 -5.02 121.76 121.93 2qto s ALA 54 Ca 0.37 -1.61 -0.05 0.00 0.00 0.00 0.00 51.96 50.66 2qto s ALA 54 Cb 0.22 -1.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 2qto s ALA 54 CO 0.20 0.13 1.92 -2.30 0.00 0.00 0.00 175.76 175.70 2qto n PRO 55 N -1.20 1.71 -3.95 0.00 -0.02 -1.26 -4.90 135.00 125.38 2qto n PRO 55 Ca -0.05 -1.31 -0.09 0.00 -2.02 0.00 0.00 63.50 60.03 2qto n PRO 55 Cb 0.59 -2.39 -0.07 0.00 -0.02 0.00 0.00 33.50 31.62 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 3.73 0.45 1.02 -1.23 0.00 -1.26 -5.07 107.32 104.97 2qto s GLY 56 Ca 0.33 -0.87 -0.17 0.00 0.00 0.00 0.00 44.72 44.01 2qto s GLY 56 CO -0.02 -0.83 -0.19 0.00 0.00 0.00 0.00 173.10 172.05 2qto n ALA 57 N -0.20 -4.04 0.08 3.20 0.00 -1.26 -4.67 120.51 113.62 2qto n ALA 57 Ca -0.08 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.41 2qto n ALA 57 Cb 0.63 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.56 0.08 -0.69 0.00 7.27 -1.26 -4.28 117.38 117.94 2qto n GLN 58 Ca 0.02 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.94 2qto n GLN 58 Cb 0.60 -1.12 -0.06 0.00 2.41 0.00 0.00 30.24 32.07 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 0.56 4.20 0.00 1.69 4.77 -1.26 -3.33 117.00 123.62 2qto n LEU 59 Ca 0.00 -2.56 0.00 0.00 -0.03 0.00 0.00 56.01 53.42 2qto n LEU 59 Cb 0.02 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 2qto n LEU 59 CO 0.00 0.76 -0.03 2.30 -1.33 0.00 0.00 177.39 179.08 2qto n ILE 60 N 3.47 0.00 -4.33 -0.08 -5.35 -1.26 -3.84 119.36 107.97 2qto n ILE 60 Ca 0.37 -0.22 -0.25 0.00 -0.27 0.00 0.00 62.75 62.38 2qto n ILE 60 Cb 0.33 0.90 -0.12 0.00 -1.74 0.00 0.00 39.64 39.01 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 -0.57 1.91 0.03 7.28 -4.23 -1.21 -4.92 115.64 113.93 2qto s THR 61 Ca 0.00 -1.72 -0.26 0.00 -1.18 0.00 0.00 61.69 58.53 2qto s THR 61 Cb 0.00 -1.76 -0.17 0.00 1.34 0.00 0.00 72.50 71.90 2qto s THR 61 CO 0.00 -0.10 1.42 1.88 -0.54 0.00 0.00 174.62 177.28 2qto h TYR 62 N 3.76 -0.33 0.00 3.99 0.05 -1.92 -2.57 116.97 119.94 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 0.11 0.00 0.00 1.01 0.00 0.00 36.73 39.04 2qto h TYR 62 CO 0.64 -0.05 0.04 -2.30 -1.05 0.00 0.00 178.16 175.43 2qto n PRO 63 N -5.15 0.00 -0.08 4.88 -0.02 -1.26 0.10 135.00 133.48 2qto n PRO 63 Ca -0.10 0.29 -0.07 0.00 -2.02 0.00 0.00 63.50 61.60 2qto n PRO 63 Cb 0.23 -1.54 -0.13 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 -1.27 1.38 0.04 -0.52 3.00 -1.18 -4.16 116.66 113.95 2qto n ARG 64 Ca 0.00 -0.01 -0.06 0.00 -0.01 0.00 0.00 57.85 57.77 2qto n ARG 64 Cb 0.04 -1.41 0.13 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 0.80 0.88 -0.45 7.54 0.00 0.08 -1.63 119.26 126.48 2qto h ALA 65 Ca -0.42 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.02 2qto h ALA 65 Cb 1.95 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 2qto h ALA 65 CO 0.02 0.66 0.27 -0.07 0.00 0.00 0.00 179.25 180.13 2qto h LEU 66 N 0.34 0.54 -1.35 0.00 3.38 -1.46 -0.53 115.31 116.22 2qto h LEU 66 Ca 0.02 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2qto h LEU 66 Cb 0.96 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2qto h LEU 66 CO 0.08 0.43 -0.19 -0.25 0.09 0.00 0.00 178.44 178.60 2qto h TRP 67 N 0.59 0.21 -0.32 1.13 2.91 -1.69 -2.70 115.95 116.09 2qto h TRP 67 Ca 0.16 -0.03 -0.18 0.00 1.13 0.00 0.00 58.89 59.97 2qto h TRP 67 Cb -0.01 -0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 28.58 2qto h TRP 67 CO -0.03 0.38 -0.50 2.35 -1.03 0.00 0.00 178.44 179.61 2qto h TRP 68 N 0.18 1.11 0.12 2.65 7.01 -0.76 -1.88 115.95 124.40 2qto h TRP 68 Ca 0.03 -0.38 0.01 0.00 2.11 0.00 0.00 58.89 60.67 2qto h TRP 68 Cb 0.45 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.26 2qto h TRP 68 CO 0.01 1.21 -0.23 0.77 -2.79 0.00 0.00 178.44 177.41 2qto h SER 69 N 0.70 -0.63 -0.46 2.65 0.02 -0.85 0.03 113.55 115.00 2qto h SER 69 Ca 0.03 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 2qto h SER 69 Cb 1.11 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.86 2qto h SER 69 CO 0.12 -0.31 0.26 0.58 -1.14 0.00 0.00 176.83 176.34 2qto h VAL 70 N -0.43 1.03 -0.91 2.27 2.07 -1.50 0.41 116.25 119.19 2qto h VAL 70 Ca 0.03 -0.18 0.13 0.00 0.82 0.00 0.00 66.70 67.50 2qto h VAL 70 Cb 0.44 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 2qto h VAL 70 CO -0.12 0.10 0.59 -0.08 0.02 0.00 0.00 177.57 178.07 2qto h GLU 71 N 0.53 0.75 0.13 1.57 4.81 -1.04 -2.49 114.58 118.85 2qto h GLU 71 Ca 0.19 -0.05 -0.36 0.00 -0.13 0.00 0.00 59.36 59.01 2qto h GLU 71 Cb 0.04 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2qto h GLU 71 CO -0.10 0.50 -1.96 1.15 -0.73 0.00 0.00 179.01 177.86 2qto h THR 72 N 0.77 0.66 -0.07 0.32 2.02 -0.02 -0.98 112.91 115.62 2qto h THR 72 Ca 0.46 -2.36 -0.09 0.00 0.77 0.00 0.00 66.41 65.18 2qto h THR 72 Cb 0.64 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 69.58 2qto h THR 72 CO -0.22 0.90 -0.38 0.00 0.37 0.00 0.00 175.52 176.19 2qto h ALA 73 N 0.07 1.25 0.00 6.16 0.00 -0.20 -0.41 119.26 126.14 2qto h ALA 73 Ca -0.41 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2qto h ALA 73 Cb 2.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.75 2qto h ALA 73 CO 0.10 0.53 0.00 1.15 0.00 0.00 0.00 179.25 181.03 2qto h THR 74 N 0.12 0.00 -4.42 0.00 2.02 -1.60 -3.35 112.91 105.67 2qto h THR 74 Ca 0.01 -0.68 -0.41 0.00 0.77 0.00 0.00 66.41 66.10 2qto h THR 74 Cb 0.72 1.66 0.05 0.00 -1.74 0.00 0.00 68.15 68.83 2qto h THR 74 CO 0.05 0.00 -0.60 0.35 0.37 0.00 0.00 175.52 175.70 2qto n THR 75 N -2.93 -1.86 -0.02 3.16 -2.24 -0.16 -4.93 114.28 105.30 2qto n THR 75 Ca 0.03 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.65 2qto n THR 75 Cb 0.40 -3.33 -0.11 0.00 -2.10 0.00 0.00 70.33 65.19 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 -1.25 1.51 -5.93 2.28 2.07 -1.47 -3.50 116.25 109.97 2qto h VAL 76 Ca -0.52 -1.90 -0.20 0.00 0.82 0.00 0.00 66.70 64.90 2qto h VAL 76 Cb 1.36 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.80 2qto h VAL 76 CO 0.57 0.53 -0.65 0.61 0.02 0.00 0.00 177.57 178.64 2qto n GLY 77 N 0.97 -0.98 0.10 2.17 0.00 -0.58 -4.93 105.19 101.93 2qto n GLY 77 Ca -0.10 0.85 -0.11 0.00 0.00 0.00 0.00 46.02 46.66 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 1.01 0.23 0.00 1.61 0.05 -1.90 -3.48 116.97 114.49 2qto h TYR 78 Ca -0.28 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.48 2qto h TYR 78 Cb 1.18 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.86 2qto h TYR 78 CO 0.14 0.33 0.00 0.41 -1.05 0.00 0.00 178.16 177.99 2qto n GLY 79 N -0.61 1.39 0.18 3.88 0.00 -1.26 -4.97 105.19 103.80 2qto n GLY 79 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.27 1.61 2.03 -2.03 -3.43 116.42 110.32 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 -0.10 -0.76 -1.03 0.00 0.00 179.24 177.35 2qto s LEU 81 N -4.83 0.07 -0.08 0.15 1.43 -1.26 -4.80 118.68 109.36 2qto s LEU 81 Ca 0.01 0.82 -0.32 0.00 -1.03 0.00 0.00 54.13 53.61 2qto s LEU 81 Cb 0.08 1.79 0.12 0.00 0.03 0.00 0.00 46.19 48.22 2qto s LEU 81 CO 0.34 -0.29 1.17 -0.72 0.23 0.00 0.00 176.35 177.08 2qto s TYR 82 N -0.23 -0.13 0.41 0.29 1.13 -1.26 -4.89 117.35 112.66 2qto s TYR 82 Ca -0.04 0.03 -0.16 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 41.28 2qto s TYR 82 CO 0.03 -0.33 0.85 -1.25 -2.51 0.00 0.00 175.55 172.35 2qto s PRO 83 N -2.59 4.02 0.00 -3.49 0.04 -1.26 -4.54 135.00 127.17 2qto s PRO 83 Ca 0.10 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.97 2qto s PRO 83 Cb 0.01 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2qto s PRO 83 CO -0.04 -0.02 0.11 0.28 0.04 0.00 0.00 177.00 177.37 2qto n VAL 84 N -0.86 0.00 -3.27 -0.36 0.31 -1.26 -4.86 118.33 108.03 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 -0.60 4.80 0.15 2.52 2.01 -1.26 -4.99 115.64 118.27 2qto s THR 85 Ca 0.00 0.73 -0.16 0.00 0.31 0.00 0.00 61.69 62.57 2qto s THR 85 Cb 0.00 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.92 2qto s THR 85 CO 0.00 -0.13 1.79 0.25 -0.69 0.00 0.00 174.62 175.85 2qto h LEU 86 N 2.41 0.52 -0.16 4.42 5.85 -1.96 0.09 115.31 126.48 2qto h LEU 86 Ca -0.47 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.18 2qto h LEU 86 Cb 1.17 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 2qto h LEU 86 CO 0.67 0.41 0.01 -0.50 -0.34 0.00 0.00 178.44 178.70 2qto h TRP 87 N 0.58 0.30 -0.12 1.25 -0.00 -1.94 -1.87 115.95 114.15 2qto h TRP 87 Ca 0.16 -0.05 0.04 0.00 -0.00 0.00 0.00 58.89 59.04 2qto h TRP 87 Cb -0.02 -0.08 -0.00 0.00 -0.00 0.00 0.00 29.16 29.06 2qto h TRP 87 CO -0.03 0.47 0.10 0.78 -0.00 0.00 0.00 178.44 179.76 2qto h GLY 88 N 0.05 0.00 1.95 1.49 0.00 -1.81 -1.57 103.07 103.18 2qto h GLY 88 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.27 2qto h GLY 88 CO 0.01 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 0.60 4.80 3.08 -0.67 -2.81 114.38 119.38 2qto h ARG 89 Ca 0.06 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 2qto h ARG 89 Cb 0.26 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.31 2qto h ARG 89 CO -0.00 0.49 -0.29 0.00 -1.07 0.00 0.00 179.97 179.10 2qto h VAL 91 N -1.10 0.06 0.15 0.00 2.07 -1.48 -0.92 116.25 115.03 2qto h VAL 91 Ca -0.08 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2qto h VAL 91 Cb 0.67 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2qto h VAL 91 CO 0.14 0.01 -0.39 0.00 0.02 0.00 0.00 177.57 177.34 2qto h ALA 92 N 1.96 -0.92 -0.87 1.67 0.00 -1.41 -1.70 119.26 117.99 2qto h ALA 92 Ca 0.67 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.65 2qto h ALA 92 Cb 1.52 0.75 -0.16 0.00 0.00 0.00 0.00 17.79 19.90 2qto h ALA 92 CO -0.84 -1.00 -0.27 0.28 0.00 0.00 0.00 179.25 177.43 2qto h VAL 93 N -0.60 0.10 0.15 0.00 2.07 -1.00 0.33 116.25 117.30 2qto h VAL 93 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 2qto h VAL 93 Cb 0.58 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 2qto h VAL 93 CO -0.18 0.00 -0.38 0.58 0.02 0.00 0.00 177.57 177.61 2qto h VAL 94 N -0.02 0.21 -0.07 2.57 2.07 -1.09 -0.73 116.25 119.20 2qto h VAL 94 Ca 0.39 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.87 2qto h VAL 94 Cb 0.62 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2qto h VAL 94 CO -0.90 0.00 -0.11 -0.37 0.02 0.00 0.00 177.57 176.21 2qto h VAL 95 N -0.63 1.12 0.68 2.57 -1.51 -0.20 -1.28 116.25 117.00 2qto h VAL 95 Ca 0.02 -0.55 -0.03 0.00 -1.23 0.00 0.00 66.70 64.91 2qto h VAL 95 Cb 0.65 1.20 0.01 0.00 -2.13 0.00 0.00 31.29 31.02 2qto h VAL 95 CO -0.21 0.17 -0.33 0.24 -1.23 0.00 0.00 177.57 176.21 2qto h MET 96 N 0.10 -0.89 -0.31 5.19 2.07 0.28 -2.51 114.93 118.85 2qto h MET 96 Ca 0.02 0.06 -0.05 0.00 -2.07 0.00 0.00 59.70 57.66 2qto h MET 96 Cb 0.26 0.20 -0.02 0.00 -1.87 0.00 0.00 31.60 30.18 2qto h MET 96 CO 0.02 -0.59 -0.04 -0.39 1.07 0.00 0.00 176.91 176.98 2qto h VAL 97 N -0.92 1.20 -0.98 -2.22 -1.51 -1.06 -1.81 116.25 108.95 2qto h VAL 97 Ca -0.09 -0.82 0.11 0.00 -1.23 0.00 0.00 66.70 64.66 2qto h VAL 97 Cb 0.71 1.01 -0.08 0.00 -2.13 0.00 0.00 31.29 30.80 2qto h VAL 97 CO 0.15 0.28 0.61 0.00 -1.23 0.00 0.00 177.57 177.38 2qto h ALA 98 N 1.50 1.44 0.23 5.19 0.00 -1.27 0.33 119.26 126.69 2qto h ALA 98 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2qto h ALA 98 Cb 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2qto h ALA 98 CO 0.01 0.25 -0.11 0.78 0.00 0.00 0.00 179.25 180.19 2qto h GLY 99 N 1.01 -0.32 0.57 0.00 0.00 -0.91 -2.47 103.07 100.95 2qto h GLY 99 Ca 0.47 0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.93 2qto h GLY 99 CO -0.24 -0.12 -0.31 -2.22 0.00 0.00 0.00 176.54 173.65 2qto h ILE 100 N -0.76 0.35 0.44 2.60 2.04 -0.93 -0.92 117.51 120.34 2qto h ILE 100 Ca -0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 2qto h ILE 100 Cb 0.50 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2qto h ILE 100 CO 0.05 0.00 -0.33 0.74 0.00 0.00 0.00 178.15 178.62 2qto h THR 101 N -0.59 0.33 -0.02 -0.27 2.02 -0.48 -0.46 112.91 113.44 2qto h THR 101 Ca 0.01 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 2qto h THR 101 Cb 0.57 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2qto h THR 101 CO -0.12 0.00 -0.28 0.77 0.37 0.00 0.00 175.52 176.26 2qto h SER 102 N -0.76 0.04 1.32 4.18 4.64 -1.38 0.13 113.55 121.71 2qto h SER 102 Ca -0.04 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 2qto h SER 102 Cb 0.64 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2qto h SER 102 CO 0.01 0.32 -0.11 -0.26 -0.87 0.00 0.00 176.83 175.92 2qto h PHE 103 N 0.03 0.00 -0.17 4.77 0.04 -1.04 -3.12 116.94 117.46 2qto h PHE 103 Ca 0.00 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.66 2qto h PHE 103 Cb 0.52 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.67 2qto h PHE 103 CO 0.00 0.11 -0.35 0.78 -0.60 0.00 0.00 178.31 178.26 2qto h GLY 104 N 2.75 0.59 0.40 -1.45 0.00 0.94 -3.04 103.07 103.26 2qto h GLY 104 Ca -0.00 -0.70 0.13 0.00 0.00 0.00 0.00 47.33 46.76 2qto h GLY 104 CO 0.01 0.63 0.56 1.41 0.00 0.00 0.00 176.54 179.15 2qto h LEU 105 N 0.18 0.79 -0.96 3.11 4.07 -1.22 0.81 115.31 122.09 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 0.94 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.58 2qto h LEU 105 CO 0.08 0.40 -0.36 0.58 -1.08 0.00 0.00 178.44 178.06 2qto h VAL 106 N 0.86 1.29 -0.26 1.22 2.07 -1.55 0.43 116.25 120.31 2qto h VAL 106 Ca 0.48 -1.41 -0.07 0.00 0.82 0.00 0.00 66.70 66.51 2qto h VAL 106 Cb 0.53 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 2qto h VAL 106 CO -0.29 0.43 -0.11 0.74 0.02 0.00 0.00 177.57 178.36 2qto h THR 107 N 0.27 1.30 -0.69 2.57 2.02 -1.21 -2.79 112.91 114.37 2qto h THR 107 Ca 0.03 -1.18 0.01 0.00 0.77 0.00 0.00 66.41 66.04 2qto h THR 107 Cb 0.76 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.65 2qto h THR 107 CO 0.06 0.37 0.46 0.00 0.37 0.00 0.00 175.52 176.78 2qto h ALA 108 N 0.74 0.88 -0.42 6.16 0.00 -0.34 -0.50 119.26 125.79 2qto h ALA 108 Ca 0.06 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2qto h ALA 108 Cb 0.61 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2qto h ALA 108 CO 0.04 0.30 0.18 0.00 0.00 0.00 0.00 179.25 179.76 2qto h ALA 109 N 1.26 0.51 0.00 0.00 0.00 -0.18 -2.28 119.26 118.56 2qto h ALA 109 Ca 0.25 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 2qto h ALA 109 Cb -0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2qto h ALA 109 CO -0.06 -0.20 -0.46 -0.07 0.00 0.00 0.00 179.25 178.46 2qto h LEU 110 N 0.36 0.00 -0.84 0.00 3.38 -1.21 -2.40 115.31 114.60 2qto h LEU 110 Ca 0.19 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 2qto h LEU 110 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2qto h LEU 110 CO -0.16 0.46 -0.45 0.00 0.09 0.00 0.00 178.44 178.37 2qto h ALA 111 N 1.54 1.02 0.00 1.53 0.00 -0.57 -2.01 119.26 120.77 2qto h ALA 111 Ca -0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 2qto h ALA 111 Cb 0.88 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2qto h ALA 111 CO 0.06 0.63 -1.20 1.79 0.00 0.00 0.00 179.25 180.53 2qto h THR 112 N 0.23 0.62 -0.25 0.00 1.35 -1.35 -2.07 112.91 111.44 2qto h THR 112 Ca 0.02 -2.10 -0.07 0.00 -0.55 0.00 0.00 66.41 63.71 2qto h THR 112 Cb 0.89 2.15 -0.01 0.00 -1.73 0.00 0.00 68.15 69.45 2qto h THR 112 CO 0.07 0.35 -0.15 -0.25 -0.25 0.00 0.00 175.52 175.29 2qto h TRP 113 N 0.00 0.46 0.07 4.73 7.01 -1.35 0.96 115.95 127.82 2qto h TRP 113 Ca -0.12 -0.07 -0.24 0.00 2.11 0.00 0.00 58.89 60.56 2qto h TRP 113 Cb 1.55 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 28.48 2qto h TRP 113 CO 0.00 0.57 -1.11 0.74 -2.79 0.00 0.00 178.44 175.85 2qto h PHE 114 N 0.40 0.30 -0.11 2.65 0.04 -1.40 -3.23 116.94 115.59 2qto h PHE 114 Ca 0.07 -0.21 -0.15 0.00 2.80 0.00 0.00 57.97 60.48 2qto h PHE 114 Cb 0.50 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 2qto h PHE 114 CO 0.01 1.14 -0.57 0.28 -0.60 0.00 0.00 178.31 178.57 2qto h VAL 115 N 0.06 1.36 0.00 -0.55 2.07 -1.08 -3.10 116.25 115.01 2qto h VAL 115 Ca -0.08 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.55 2qto h VAL 115 Cb 1.84 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.51 2qto h VAL 115 CO 0.17 0.57 0.00 0.61 0.02 0.00 0.00 177.57 178.94 2qto n GLY 116 N 0.23 0.48 2.46 2.17 0.00 0.33 -2.81 105.19 108.05 2qto n GLY 116 Ca -0.03 0.00 -0.23 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 0.18 1.90 0.03 1.61 1.74 -1.17 -4.82 116.66 116.13 2qto n ARG 117 Ca 0.00 -4.04 0.11 0.00 -0.77 0.00 0.00 57.85 53.16 2qto n ARG 117 Cb 0.09 -1.87 -0.01 0.00 -1.02 0.00 0.00 32.46 29.65 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 0.43 0.38 0.00 5.56 0.28 -1.12 -5.07 120.64 121.09 2qto n GLU 118 Ca 0.27 -0.01 0.03 0.00 -0.16 0.00 0.00 57.16 57.29 2qto n GLU 118 Cb 0.51 -1.62 0.15 0.00 1.43 0.00 0.00 31.44 31.91 2qto n GLU 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97