#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 1.59 -0.29 0.00 7.94 -1.26 -4.41 117.00 120.57 2qto n LEU 24 Ca 0.00 0.25 0.08 0.00 -1.11 0.00 0.00 56.01 55.23 2qto n LEU 24 Cb 0.00 -0.58 0.23 0.00 0.53 0.00 0.00 43.42 43.60 2qto n LEU 24 CO 0.00 -0.33 1.06 1.12 -1.11 0.00 0.00 177.39 178.14 2qto h HIS 25 N -0.64 0.67 0.00 1.96 2.07 -1.99 0.83 115.15 118.06 2qto h HIS 25 Ca -0.07 0.04 -0.10 0.00 -2.85 0.00 0.00 60.37 57.38 2qto h HIS 25 Cb 0.75 -0.17 -0.01 0.00 2.57 0.00 0.00 27.41 30.55 2qto h HIS 25 CO -0.24 0.10 -0.50 2.35 -3.07 0.00 0.00 177.93 176.57 2qto h TRP 26 N 0.53 0.00 0.00 6.12 -0.00 -1.89 -3.19 115.95 117.51 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 0.73 0.00 -0.07 0.00 -0.00 0.00 0.00 29.16 29.82 2qto h TRP 26 CO -0.12 0.50 -2.36 0.54 -0.00 0.00 0.00 178.44 177.00 2qto n ARG 27 N -3.46 0.68 -0.06 2.65 1.74 -0.20 -3.74 116.66 114.28 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 0.62 -1.54 0.15 0.00 -1.02 0.00 0.00 32.46 30.68 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 0.89 1.02 0.26 7.54 0.00 0.50 -2.55 119.26 126.92 2qto h ALA 28 Ca -0.54 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.03 2qto h ALA 28 Cb 2.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2qto h ALA 28 CO 0.02 0.59 -0.13 0.00 0.00 0.00 0.00 179.25 179.73 2qto h ALA 29 N 1.21 -0.35 -0.79 0.00 0.00 -1.74 -1.37 119.26 116.22 2qto h ALA 29 Ca 0.10 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 55.03 2qto h ALA 29 Cb 0.63 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2qto h ALA 29 CO 0.04 -0.53 0.55 0.78 0.00 0.00 0.00 179.25 180.09 2qto h GLY 30 N -0.69 0.31 1.98 0.00 0.00 -1.64 -0.06 103.07 102.98 2qto h GLY 30 Ca -0.04 -0.07 -0.21 0.00 0.00 0.00 0.00 47.33 47.01 2qto h GLY 30 CO 0.06 0.00 -1.01 0.00 0.00 0.00 0.00 176.54 175.59 2qto h ALA 31 N 1.62 0.36 -0.14 3.60 0.00 -1.33 -3.17 119.26 120.20 2qto h ALA 31 Ca 0.39 -0.92 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 2qto h ALA 31 Cb 1.30 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2qto h ALA 31 CO -0.06 1.25 -0.33 0.00 0.00 0.00 0.00 179.25 180.11 2qto h ALA 32 N 1.00 1.18 -0.01 0.00 0.00 0.15 -1.81 119.26 119.77 2qto h ALA 32 Ca -0.01 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 2qto h ALA 32 Cb 1.77 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 2qto h ALA 32 CO 0.13 0.54 -0.65 1.79 0.00 0.00 0.00 179.25 181.06 2qto h THR 33 N 0.24 1.45 -0.09 0.00 1.35 -1.45 0.55 112.91 114.96 2qto h THR 33 Ca 0.03 -2.18 -0.10 0.00 -0.55 0.00 0.00 66.41 63.61 2qto h THR 33 Cb 0.71 2.17 -0.01 0.00 -1.73 0.00 0.00 68.15 69.28 2qto h THR 33 CO 0.05 0.63 -0.39 0.58 -0.25 0.00 0.00 175.52 176.14 2qto h VAL 34 N 0.04 1.30 -0.01 6.82 2.07 -1.48 -2.89 116.25 122.10 2qto h VAL 34 Ca -0.01 -1.43 -0.19 0.00 0.82 0.00 0.00 66.70 65.88 2qto h VAL 34 Cb 1.15 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 2qto h VAL 34 CO 0.09 0.43 -0.84 0.25 0.02 0.00 0.00 177.57 177.51 2qto h LEU 35 N 0.16 0.29 -0.55 2.57 5.85 -0.72 -3.17 115.31 119.75 2qto h LEU 35 Ca 0.02 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.43 2qto h LEU 35 Cb 0.76 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 2qto h LEU 35 CO 0.06 1.01 0.04 0.25 -0.34 0.00 0.00 178.44 179.46 2qto h LEU 36 N 0.14 0.91 -0.63 2.25 5.85 -0.78 -2.21 115.31 120.84 2qto h LEU 36 Ca -0.04 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.43 2qto h LEU 36 Cb 1.45 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 2qto h LEU 36 CO 0.13 0.97 0.37 0.58 -0.34 0.00 0.00 178.44 180.15 2qto h VAL 37 N 0.82 1.04 -0.24 1.05 2.07 -1.58 -1.08 116.25 118.33 2qto h VAL 37 Ca 0.16 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.49 2qto h VAL 37 Cb 0.47 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 2qto h VAL 37 CO 0.02 0.13 -0.15 0.40 0.02 0.00 0.00 177.57 177.99 2qto h ILE 38 N 0.72 0.57 -0.68 4.57 2.04 -1.47 -2.08 117.51 121.18 2qto h ILE 38 Ca 0.26 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.08 2qto h ILE 38 Cb 0.07 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2qto h ILE 38 CO -0.12 0.00 0.26 0.58 0.00 0.00 0.00 178.15 178.87 2qto h VAL 39 N -0.13 1.24 0.81 1.67 2.07 -0.96 -1.17 116.25 119.77 2qto h VAL 39 Ca 0.13 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 2qto h VAL 39 Cb 0.33 0.44 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2qto h VAL 39 CO -0.32 0.30 -0.39 -0.07 0.02 0.00 0.00 177.57 177.12 2qto h LEU 40 N 0.98 -0.92 -0.80 2.57 3.38 -0.94 0.40 115.31 119.99 2qto h LEU 40 Ca 0.23 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.25 2qto h LEU 40 Cb 0.21 0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 2qto h LEU 40 CO -0.02 -0.63 0.52 -0.07 0.09 0.00 0.00 178.44 178.33 2qto h LEU 41 N -1.13 0.86 -0.48 1.67 3.38 -1.31 0.32 115.31 118.63 2qto h LEU 41 Ca -0.11 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 2qto h LEU 41 Cb 0.84 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2qto h LEU 41 CO 0.18 0.60 -0.37 0.00 0.09 0.00 0.00 178.44 178.94 2qto h ALA 42 N 1.33 0.66 -0.20 1.53 0.00 -1.21 -2.24 119.26 119.13 2qto h ALA 42 Ca 0.32 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2qto h ALA 42 Cb -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2qto h ALA 42 CO -0.10 0.67 -0.05 0.78 0.00 0.00 0.00 179.25 180.54 2qto h GLY 43 N 0.86 0.43 0.51 0.00 0.00 0.33 -1.49 103.07 103.71 2qto h GLY 43 Ca 0.06 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 47.07 2qto h GLY 43 CO 0.09 0.32 -0.18 1.76 0.00 0.00 0.00 176.54 178.53 2qto h SER 44 N 0.12 -0.54 1.28 0.19 0.02 -0.39 0.15 113.55 114.39 2qto h SER 44 Ca 0.05 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2qto h SER 44 Cb 0.50 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.28 2qto h SER 44 CO 0.02 -0.24 0.00 1.88 -1.14 0.00 0.00 176.83 177.35 2qto h TYR 45 N -0.27 0.00 0.08 3.45 -1.99 -1.42 -2.64 116.97 114.18 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 0.37 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.07 2qto h TYR 45 CO -0.25 0.00 -1.74 1.25 -0.00 0.00 0.00 178.16 177.42 2qto h LEU 46 N 0.00 0.28 -0.87 3.88 5.85 -0.92 -3.35 115.31 120.17 2qto h LEU 46 Ca 0.00 -0.51 -0.08 0.00 0.84 0.00 0.00 57.88 58.13 2qto h LEU 46 Cb 0.64 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2qto h LEU 46 CO 0.00 1.45 -0.07 0.00 -0.34 0.00 0.00 178.44 179.47 2qto h ALA 47 N 0.51 1.05 0.63 1.25 0.00 -0.51 -2.78 119.26 119.41 2qto h ALA 47 Ca -0.31 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 2qto h ALA 47 Cb 2.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 2qto h ALA 47 CO 0.11 0.58 -0.40 0.28 0.00 0.00 0.00 179.25 179.82 2qto h VAL 48 N 0.70 0.19 0.00 0.00 2.07 -1.64 -1.87 116.25 115.70 2qto h VAL 48 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 2qto h VAL 48 Cb 0.53 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2qto h VAL 48 CO 0.03 0.00 0.00 0.17 0.02 0.00 0.00 177.57 177.79 2qto h LEU 49 N -0.98 0.00 0.07 2.57 8.10 -1.68 0.16 115.31 123.55 2qto h LEU 49 Ca -0.08 0.00 -0.25 0.00 0.11 0.00 0.00 57.88 57.66 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 0.07 0.00 -1.15 0.00 -4.11 0.00 0.00 178.44 173.25 2qto h ALA 50 N 2.02 0.20 0.00 0.17 0.00 -1.20 -3.40 119.26 117.05 2qto h ALA 50 Ca 0.00 -0.90 -0.20 0.00 0.00 0.00 0.00 54.91 53.81 2qto h ALA 50 Cb 0.17 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2qto h ALA 50 CO 0.00 1.09 -1.86 0.39 0.00 0.00 0.00 179.25 178.87 2qto n GLU 51 N -3.45 1.57 -0.33 0.00 -0.58 -0.56 -4.70 120.64 112.58 2qto n GLU 51 Ca -0.05 -0.03 0.15 0.00 -0.42 0.00 0.00 57.16 56.81 2qto n GLU 51 Cb 0.99 -1.34 0.34 0.00 -0.57 0.00 0.00 31.44 30.86 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 0.55 -0.56 3.49 2.43 -0.84 -1.57 114.38 117.88 2qto h ARG 52 Ca -0.29 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2qto h ARG 52 Cb 1.59 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.02 2qto h ARG 52 CO 0.02 0.37 0.00 0.41 -1.51 0.00 0.00 179.97 179.25 2qto n GLY 53 N -1.32 1.65 3.78 2.80 0.00 -1.26 -4.94 105.19 105.90 2qto n GLY 53 Ca 0.24 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.58 3.57 -0.72 4.61 0.00 -0.59 -5.02 121.76 122.03 2qto s ALA 54 Ca 0.34 -1.60 -0.06 0.00 0.00 0.00 0.00 51.96 50.64 2qto s ALA 54 Cb 0.20 -1.07 -0.06 0.00 0.00 0.00 0.00 23.12 22.19 2qto s ALA 54 CO 0.19 0.15 1.88 -2.30 0.00 0.00 0.00 175.76 175.67 2qto n PRO 55 N -1.18 1.61 -3.92 0.00 -0.02 -1.26 -4.90 135.00 125.33 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 31.60 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 3.90 0.36 1.02 -1.23 0.00 -1.26 -5.07 107.32 105.03 2qto s GLY 56 Ca 0.34 -0.79 -0.18 0.00 0.00 0.00 0.00 44.72 44.10 2qto s GLY 56 CO -0.01 -0.80 -0.30 0.00 0.00 0.00 0.00 173.10 171.99 2qto n ALA 57 N -0.18 -4.21 0.12 3.20 0.00 -1.26 -4.67 120.51 113.51 2qto n ALA 57 Ca -0.09 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.41 2qto n ALA 57 Cb 0.63 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.17 0.12 -0.74 0.00 7.27 -1.26 -4.29 117.38 118.32 2qto n GLN 58 Ca 0.02 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 56.92 2qto n GLN 58 Cb 0.60 -1.19 -0.06 0.00 2.41 0.00 0.00 30.24 32.00 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 0.62 4.52 0.00 1.69 4.77 -1.26 -3.42 117.00 123.92 2qto n LEU 59 Ca 0.00 -2.70 0.00 0.00 -0.03 0.00 0.00 56.01 53.28 2qto n LEU 59 Cb 0.04 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 2qto n LEU 59 CO 0.00 0.89 -0.04 2.30 -1.33 0.00 0.00 177.39 179.21 2qto n ILE 60 N 3.41 0.00 -4.34 -0.08 -5.35 -1.26 -3.84 119.36 107.90 2qto n ILE 60 Ca 0.39 -0.20 -0.25 0.00 -0.27 0.00 0.00 62.75 62.43 2qto n ILE 60 Cb 0.36 0.86 -0.12 0.00 -1.74 0.00 0.00 39.64 39.00 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 -0.58 1.93 0.03 7.28 -4.23 -1.22 -4.92 115.64 113.93 2qto s THR 61 Ca 0.00 -1.76 -0.26 0.00 -1.18 0.00 0.00 61.69 58.49 2qto s THR 61 Cb 0.00 -1.80 -0.17 0.00 1.34 0.00 0.00 72.50 71.87 2qto s THR 61 CO 0.00 -0.12 1.40 1.88 -0.54 0.00 0.00 174.62 177.25 2qto h TYR 62 N 3.67 -0.32 0.00 3.99 0.05 -1.92 -2.59 116.97 119.85 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 -0.04 0.03 -2.30 -1.05 0.00 0.00 178.16 175.45 2qto n PRO 63 N -5.14 0.00 -0.08 4.88 -0.02 -1.26 -0.02 135.00 133.37 2qto n PRO 63 Ca -0.09 0.28 -0.07 0.00 -2.02 0.00 0.00 63.50 61.59 2qto n PRO 63 Cb 0.23 -1.53 -0.12 0.00 -0.02 0.00 0.00 33.50 32.05 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 1.44 0.04 -0.52 3.00 -1.18 -4.16 116.66 114.02 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 0.03 -1.40 0.13 0.00 0.00 0.00 0.00 32.46 31.23 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 0.78 0.90 -0.39 7.54 0.00 -0.03 -1.57 119.26 126.48 2qto h ALA 65 Ca -0.41 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.04 2qto h ALA 65 Cb 1.93 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 2qto h ALA 65 CO 0.02 0.65 0.24 -0.07 0.00 0.00 0.00 179.25 180.09 2qto h LEU 66 N 0.34 0.47 -1.32 0.00 3.38 -1.47 -0.60 115.31 116.12 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 0.94 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2qto h LEU 66 CO 0.08 0.39 -0.20 -0.25 0.09 0.00 0.00 178.44 178.55 2qto h TRP 67 N 0.52 0.22 -0.36 1.13 2.91 -1.69 -2.69 115.95 115.99 2qto h TRP 67 Ca 0.14 -0.03 -0.16 0.00 1.13 0.00 0.00 58.89 59.98 2qto h TRP 67 Cb 0.00 -0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 28.59 2qto h TRP 67 CO -0.04 0.40 -0.38 2.35 -1.03 0.00 0.00 178.44 179.74 2qto h TRP 68 N 0.19 1.07 0.10 2.65 7.01 -0.82 -1.96 115.95 124.19 2qto h TRP 68 Ca 0.03 -0.33 0.02 0.00 2.11 0.00 0.00 58.89 60.72 2qto h TRP 68 Cb 0.47 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.27 2qto h TRP 68 CO 0.01 1.15 -0.24 0.77 -2.79 0.00 0.00 178.44 177.33 2qto h SER 69 N 0.69 -0.69 -0.59 2.65 0.02 -0.86 0.25 113.55 115.02 2qto h SER 69 Ca 0.05 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2qto h SER 69 Cb 0.98 0.27 -0.04 0.00 0.14 0.00 0.00 62.40 63.75 2qto h SER 69 CO 0.09 -0.33 0.36 0.58 -1.14 0.00 0.00 176.83 176.40 2qto h VAL 70 N -0.43 1.07 -0.87 2.27 2.07 -1.50 0.44 116.25 119.30 2qto h VAL 70 Ca 0.03 -0.24 0.10 0.00 0.82 0.00 0.00 66.70 67.41 2qto h VAL 70 Cb 0.47 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 2qto h VAL 70 CO -0.15 0.13 0.57 -0.08 0.02 0.00 0.00 177.57 178.06 2qto h GLU 71 N 0.71 0.81 0.13 1.57 4.81 -1.00 -2.52 114.58 119.10 2qto h GLU 71 Ca 0.23 -0.05 -0.36 0.00 -0.13 0.00 0.00 59.36 59.06 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 -0.10 0.54 -1.93 1.15 -0.73 0.00 0.00 179.01 177.94 2qto h THR 72 N 0.84 0.68 -0.04 0.32 2.02 0.15 -1.07 112.91 115.81 2qto h THR 72 Ca 0.41 -2.36 -0.08 0.00 0.77 0.00 0.00 66.41 65.15 2qto h THR 72 Cb 0.45 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 69.39 2qto h THR 72 CO -0.17 0.88 -0.36 0.00 0.37 0.00 0.00 175.52 176.24 2qto h ALA 73 N 0.06 1.33 0.00 6.16 0.00 -0.17 -0.16 119.26 126.47 2qto h ALA 73 Ca -0.41 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2qto h ALA 73 Cb 2.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.74 2qto h ALA 73 CO 0.09 0.49 0.00 1.15 0.00 0.00 0.00 179.25 180.98 2qto h THR 74 N 0.07 0.00 -4.13 0.00 2.02 -1.60 -3.35 112.91 105.92 2qto h THR 74 Ca 0.01 -0.67 -0.41 0.00 0.77 0.00 0.00 66.41 66.11 2qto h THR 74 Cb 0.67 1.64 0.04 0.00 -1.74 0.00 0.00 68.15 68.75 2qto h THR 74 CO 0.05 0.00 -0.59 0.35 0.37 0.00 0.00 175.52 175.70 2qto n THR 75 N -2.81 -1.71 -0.02 3.16 -2.24 -0.07 -4.93 114.28 105.65 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 0.42 -3.29 -0.11 0.00 -2.10 0.00 0.00 70.33 65.24 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 -1.01 1.50 -5.99 2.28 2.07 -1.49 -3.49 116.25 110.12 2qto h VAL 76 Ca -0.52 -1.91 -0.22 0.00 0.82 0.00 0.00 66.70 64.87 2qto h VAL 76 Cb 1.36 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.78 2qto h VAL 76 CO 0.57 0.53 -0.64 0.61 0.02 0.00 0.00 177.57 178.66 2qto n GLY 77 N 0.97 -1.04 0.08 2.17 0.00 -0.62 -4.93 105.19 101.82 2qto n GLY 77 Ca -0.10 0.78 -0.11 0.00 0.00 0.00 0.00 46.02 46.59 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 0.79 0.14 0.00 1.61 0.05 -1.90 -3.48 116.97 114.17 2qto h TYR 78 Ca -0.30 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.48 2qto h TYR 78 Cb 1.20 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.89 2qto h TYR 78 CO 0.16 0.20 0.00 0.41 -1.05 0.00 0.00 178.16 177.87 2qto n GLY 79 N -0.82 1.39 0.19 3.88 0.00 -1.26 -4.97 105.19 103.61 2qto n GLY 79 Ca -0.06 0.00 0.14 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 -4.32 1.61 2.03 -2.03 -3.43 116.42 110.27 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 -0.07 -0.76 -1.03 0.00 0.00 179.24 177.38 2qto s LEU 81 N -4.94 0.01 -0.12 0.15 1.43 -1.26 -4.80 118.68 109.15 2qto s LEU 81 Ca -0.00 0.83 -0.33 0.00 -1.03 0.00 0.00 54.13 53.59 2qto s LEU 81 Cb 0.08 1.86 0.13 0.00 0.03 0.00 0.00 46.19 48.29 2qto s LEU 81 CO 0.33 -0.31 1.21 -0.72 0.23 0.00 0.00 176.35 177.09 2qto s TYR 82 N -0.28 -0.11 0.42 0.29 1.13 -1.26 -4.90 117.35 112.64 2qto s TYR 82 Ca -0.05 0.03 -0.16 0.00 -1.41 0.00 0.00 57.07 55.49 2qto s TYR 82 Cb -0.03 0.53 -0.09 0.00 -1.10 0.00 0.00 41.96 41.27 2qto s TYR 82 CO 0.03 -0.26 0.87 -1.25 -2.51 0.00 0.00 175.55 172.43 2qto s PRO 83 N -2.48 3.99 0.00 -3.49 0.04 -1.26 -4.56 135.00 127.25 2qto s PRO 83 Ca 0.11 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.97 2qto s PRO 83 Cb 0.01 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2qto s PRO 83 CO -0.04 -0.06 0.15 0.28 0.04 0.00 0.00 177.00 177.37 2qto n VAL 84 N -1.00 0.00 -3.31 -0.36 0.31 -1.26 -4.86 118.33 107.84 2qto n VAL 84 Ca 0.05 -0.40 -0.32 0.00 -0.01 0.00 0.00 64.34 63.66 2qto n VAL 84 Cb 0.54 1.07 -0.05 0.00 -0.91 0.00 0.00 33.84 34.49 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 -0.50 4.86 0.15 2.52 2.01 -1.26 -5.00 115.64 118.43 2qto s THR 85 Ca 0.00 0.58 -0.16 0.00 0.31 0.00 0.00 61.69 62.42 2qto s THR 85 Cb 0.00 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.90 2qto s THR 85 CO 0.00 -0.13 1.80 0.25 -0.69 0.00 0.00 174.62 175.85 2qto h LEU 86 N 2.36 0.48 -0.14 4.42 5.85 -1.96 -0.19 115.31 126.13 2qto h LEU 86 Ca -0.47 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 2qto h LEU 86 Cb 1.17 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 2qto h LEU 86 CO 0.68 0.37 0.02 -0.50 -0.34 0.00 0.00 178.44 178.66 2qto h TRP 87 N 0.55 0.26 -0.14 1.25 -0.00 -1.95 -1.96 115.95 113.96 2qto h TRP 87 Ca 0.15 -0.04 0.04 0.00 -0.00 0.00 0.00 58.89 59.04 2qto h TRP 87 Cb -0.04 -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 0.12 0.78 -0.00 0.00 0.00 178.44 179.73 2qto h GLY 88 N 0.01 0.00 1.93 1.49 0.00 -1.81 -1.33 103.07 103.35 2qto h GLY 88 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.29 2qto h GLY 88 CO 0.00 0.00 -0.47 3.21 0.00 0.00 0.00 176.54 179.29 2qto h ARG 89 N 0.00 0.00 0.53 4.80 3.08 -0.73 -2.81 114.38 119.25 2qto h ARG 89 Ca 0.07 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 2qto h ARG 89 Cb 0.31 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.36 2qto h ARG 89 CO -0.00 0.39 -0.25 0.00 -1.07 0.00 0.00 179.97 179.03 2qto h VAL 91 N -1.05 0.04 0.04 0.00 2.07 -1.47 -0.98 116.25 114.89 2qto h VAL 91 Ca -0.07 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.45 2qto h VAL 91 Cb 0.62 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2qto h VAL 91 CO 0.12 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 177.38 2qto h ALA 92 N 1.97 -0.81 -0.88 1.67 0.00 -1.42 -1.52 119.26 118.27 2qto h ALA 92 Ca 0.63 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.65 2qto h ALA 92 Cb 1.37 0.76 -0.16 0.00 0.00 0.00 0.00 17.79 19.75 2qto h ALA 92 CO -0.88 -0.90 -0.26 0.28 0.00 0.00 0.00 179.25 177.49 2qto h VAL 93 N -0.45 0.10 0.08 0.00 2.07 -1.02 0.34 116.25 117.38 2qto h VAL 93 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2qto h VAL 93 Cb 0.46 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 2qto h VAL 93 CO -0.20 0.00 -0.30 0.58 0.02 0.00 0.00 177.57 177.67 2qto h VAL 94 N -0.02 0.34 0.00 2.57 2.07 -1.07 -0.63 116.25 119.52 2qto h VAL 94 Ca 0.39 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.87 2qto h VAL 94 Cb 0.63 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 2qto h VAL 94 CO -0.91 0.00 -0.23 -0.37 0.02 0.00 0.00 177.57 176.08 2qto h VAL 95 N -0.50 1.12 0.81 2.57 -1.51 0.06 -1.12 116.25 117.69 2qto h VAL 95 Ca 0.04 -0.81 -0.04 0.00 -1.23 0.00 0.00 66.70 64.66 2qto h VAL 95 Cb 0.55 1.44 0.01 0.00 -2.13 0.00 0.00 31.29 31.16 2qto h VAL 95 CO -0.20 0.23 -0.39 0.24 -1.23 0.00 0.00 177.57 176.22 2qto h MET 96 N 0.00 -1.04 -0.25 5.19 2.07 0.29 -2.67 114.93 118.51 2qto h MET 96 Ca -0.00 0.07 -0.07 0.00 -2.07 0.00 0.00 59.70 57.63 2qto h MET 96 Cb 0.42 0.24 -0.01 0.00 -1.87 0.00 0.00 31.60 30.38 2qto h MET 96 CO 0.03 -0.70 -0.15 -0.39 1.07 0.00 0.00 176.91 176.78 2qto h VAL 97 N -1.13 1.23 -0.96 -2.22 -1.51 -1.04 -1.81 116.25 108.80 2qto h VAL 97 Ca -0.11 -1.02 0.10 0.00 -1.23 0.00 0.00 66.70 64.44 2qto h VAL 97 Cb 0.83 1.20 -0.07 0.00 -2.13 0.00 0.00 31.29 31.12 2qto h VAL 97 CO 0.18 0.33 0.62 0.00 -1.23 0.00 0.00 177.57 177.47 2qto h ALA 98 N 1.45 1.54 0.18 5.19 0.00 -1.25 0.27 119.26 126.64 2qto h ALA 98 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2qto h ALA 98 Cb 0.50 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2qto h ALA 98 CO 0.03 0.26 -0.08 0.78 0.00 0.00 0.00 179.25 180.24 2qto h GLY 99 N 1.00 -0.25 0.44 0.00 0.00 -1.04 -2.52 103.07 100.70 2qto h GLY 99 Ca 0.45 0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.89 2qto h GLY 99 CO -0.21 -0.09 -0.32 -2.22 0.00 0.00 0.00 176.54 173.70 2qto h ILE 100 N -0.77 0.32 0.62 2.60 2.04 -0.95 -0.89 117.51 120.47 2qto h ILE 100 Ca -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 2qto h ILE 100 Cb 0.52 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2qto h ILE 100 CO 0.04 0.00 -0.35 0.74 0.00 0.00 0.00 178.15 178.58 2qto h THR 101 N -0.55 0.29 -0.08 -0.27 2.02 -0.60 -0.53 112.91 113.20 2qto h THR 101 Ca 0.03 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 2qto h THR 101 Cb 0.58 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2qto h THR 101 CO -0.19 0.00 -0.14 0.77 0.37 0.00 0.00 175.52 176.33 2qto h SER 102 N -0.90 0.12 1.21 4.18 4.64 -1.41 0.13 113.55 121.51 2qto h SER 102 Ca -0.08 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 2qto h SER 102 Cb 0.72 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2qto h SER 102 CO 0.10 0.28 -0.14 -0.26 -0.87 0.00 0.00 176.83 175.94 2qto h PHE 103 N 0.12 0.00 -0.17 4.77 0.04 -0.99 -3.09 116.94 117.63 2qto h PHE 103 Ca 0.02 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.65 2qto h PHE 103 Cb 0.33 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.48 2qto h PHE 103 CO 0.00 0.14 -0.46 0.78 -0.60 0.00 0.00 178.31 178.17 2qto h GLY 104 N 2.56 0.67 0.43 -1.45 0.00 0.91 -3.01 103.07 103.17 2qto h GLY 104 Ca -0.00 -0.85 0.11 0.00 0.00 0.00 0.00 47.33 46.59 2qto h GLY 104 CO 0.02 0.76 0.46 1.41 0.00 0.00 0.00 176.54 179.18 2qto h LEU 105 N 0.27 0.63 -1.11 3.11 4.07 -1.24 0.15 115.31 121.19 2qto h LEU 105 Ca -0.01 0.06 -0.08 0.00 0.08 0.00 0.00 57.88 57.93 2qto h LEU 105 Cb 1.08 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.76 2qto h LEU 105 CO 0.10 0.33 -0.25 0.58 -1.08 0.00 0.00 178.44 178.12 2qto h VAL 106 N 0.74 1.25 -0.25 1.22 2.07 -1.54 0.46 116.25 120.19 2qto h VAL 106 Ca 0.42 -1.17 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 2qto h VAL 106 Cb 0.46 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2qto h VAL 106 CO -0.28 0.36 -0.11 0.74 0.02 0.00 0.00 177.57 178.30 2qto h THR 107 N 0.29 1.30 -0.73 2.57 2.02 -1.21 -2.78 112.91 114.37 2qto h THR 107 Ca 0.05 -1.18 0.01 0.00 0.77 0.00 0.00 66.41 66.05 2qto h THR 107 Cb 0.60 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 68.51 2qto h THR 107 CO 0.04 0.37 0.48 0.00 0.37 0.00 0.00 175.52 176.78 2qto h ALA 108 N 0.73 0.93 -0.45 6.16 0.00 -0.10 -0.30 119.26 126.24 2qto h ALA 108 Ca 0.06 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2qto h ALA 108 Cb 0.61 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2qto h ALA 108 CO 0.04 0.33 0.21 0.00 0.00 0.00 0.00 179.25 179.83 2qto h ALA 109 N 1.27 0.55 0.00 0.00 0.00 -0.12 -2.29 119.26 118.67 2qto h ALA 109 Ca 0.27 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 2qto h ALA 109 Cb -0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2qto h ALA 109 CO -0.06 -0.16 -0.51 -0.07 0.00 0.00 0.00 179.25 178.45 2qto h LEU 110 N 0.42 0.00 -0.91 0.00 3.38 -1.19 -2.41 115.31 114.59 2qto h LEU 110 Ca 0.20 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 2qto h LEU 110 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2qto h LEU 110 CO -0.15 0.51 -0.42 0.00 0.09 0.00 0.00 178.44 178.46 2qto h ALA 111 N 1.49 1.08 0.00 1.53 0.00 -0.54 -1.91 119.26 120.91 2qto h ALA 111 Ca -0.01 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.33 2qto h ALA 111 Cb 0.93 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2qto h ALA 111 CO 0.07 0.60 -1.21 1.79 0.00 0.00 0.00 179.25 180.50 2qto h THR 112 N 0.21 0.60 -0.27 0.00 1.35 -1.37 -2.14 112.91 111.30 2qto h THR 112 Ca 0.02 -2.07 -0.07 0.00 -0.55 0.00 0.00 66.41 63.74 2qto h THR 112 Cb 0.84 2.13 -0.02 0.00 -1.73 0.00 0.00 68.15 69.37 2qto h THR 112 CO 0.07 0.34 -0.14 -0.25 -0.25 0.00 0.00 175.52 175.29 2qto h TRP 113 N 0.00 0.50 0.07 4.73 7.01 -1.33 0.91 115.95 127.84 2qto h TRP 113 Ca -0.12 -0.08 -0.24 0.00 2.11 0.00 0.00 58.89 60.56 2qto h TRP 113 Cb 1.54 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 28.46 2qto h TRP 113 CO 0.00 0.59 -1.10 0.74 -2.79 0.00 0.00 178.44 175.88 2qto h PHE 114 N 0.43 0.35 -0.10 2.65 0.04 -1.39 -3.23 116.94 115.68 2qto h PHE 114 Ca 0.08 -0.24 -0.14 0.00 2.80 0.00 0.00 57.97 60.47 2qto h PHE 114 Cb 0.50 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 2qto h PHE 114 CO 0.02 1.15 -0.56 0.28 -0.60 0.00 0.00 178.31 178.59 2qto h VAL 115 N 0.07 1.36 0.00 -0.55 2.07 -1.08 -3.08 116.25 115.04 2qto h VAL 115 Ca -0.08 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.57 2qto h VAL 115 Cb 1.81 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 2qto h VAL 115 CO 0.17 0.56 0.00 0.61 0.02 0.00 0.00 177.57 178.93 2qto n GLY 116 N 0.19 0.50 2.45 2.17 0.00 0.31 -2.84 105.19 107.97 2qto n GLY 116 Ca -0.02 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 0.19 1.86 0.04 1.61 1.74 -1.17 -4.82 116.66 116.11 2qto n ARG 117 Ca 0.00 -4.00 0.11 0.00 -0.77 0.00 0.00 57.85 53.19 2qto n ARG 117 Cb 0.09 -1.87 0.01 0.00 -1.02 0.00 0.00 32.46 29.68 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 0.40 0.40 0.00 5.56 0.28 -1.13 -5.07 120.64 121.08 2qto n GLU 118 Ca 0.27 0.01 0.02 0.00 -0.16 0.00 0.00 57.16 57.31 2qto n GLU 118 Cb 0.52 -1.65 0.14 0.00 1.43 0.00 0.00 31.44 31.88 2qto n GLU 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97