#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qfw n GLU 3 N 0.00 1.64 0.00 -1.58 2.13 -1.26 -5.11 120.64 116.46 1qfw n GLU 3 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1qfw n GLU 3 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1qfw n GLU 3 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1qfw n PRO 4 N 0.00 0.00 -1.88 5.31 -0.02 -1.26 -4.80 135.00 132.35 1qfw n PRO 4 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.17 1qfw n PRO 4 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 33.52 1qfw n PRO 4 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1qfw n LEU 5 N 0.00 6.17 -1.20 2.45 7.94 -1.26 -4.16 117.00 126.94 1qfw n LEU 5 Ca 0.00 -4.72 0.04 0.00 -1.11 0.00 0.00 56.01 50.22 1qfw n LEU 5 Cb 0.00 -0.68 0.04 0.00 0.53 0.00 0.00 43.42 43.31 1qfw n LEU 5 CO 0.00 1.88 0.13 0.54 -1.11 0.00 0.00 177.39 178.84 1qfw n ARG 6 N -0.70 0.17 -1.52 1.96 3.00 -1.26 -5.03 116.66 113.29 1qfw n ARG 6 Ca 0.50 -1.94 -0.38 0.00 -0.01 0.00 0.00 57.85 56.02 1qfw n ARG 6 Cb 0.69 -0.27 0.04 0.00 0.00 0.00 0.00 32.46 32.92 1qfw n ARG 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1qfw n PRO 7 N 0.22 0.64 -3.00 5.56 -0.05 -1.26 -4.51 135.00 132.59 1qfw n PRO 7 Ca 0.06 0.25 -0.33 0.00 -0.05 0.00 0.00 63.50 63.43 1qfw n PRO 7 Cb 1.01 -1.84 -0.06 0.00 -0.05 0.00 0.00 33.50 32.55 1qfw n PRO 7 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 175.50 175.95 1qfw s ARG 8 N -2.28 4.13 -0.22 0.54 3.52 -1.26 -0.20 118.95 123.17 1qfw s ARG 8 Ca 0.71 0.88 -0.33 0.00 -0.13 0.00 0.00 55.73 56.86 1qfw s ARG 8 Cb -0.44 -2.38 -0.10 0.00 -1.56 0.00 0.00 34.95 30.47 1qfw s ARG 8 CO 0.52 0.11 2.08 0.00 -0.81 0.00 0.00 175.30 177.19 1qfw s ARG 10 N 5.42 1.80 0.20 0.00 1.70 -1.18 -4.68 118.95 122.20 1qfw s ARG 10 Ca 1.01 -0.49 -0.30 0.00 -0.47 0.00 0.00 55.73 55.48 1qfw s ARG 10 Cb -0.68 -1.49 -0.09 0.00 -0.57 0.00 0.00 34.95 32.13 1qfw s ARG 10 CO 0.47 0.09 1.28 -2.14 -1.08 0.00 0.00 175.30 173.92 1qfw s PRO 11 N 0.48 4.42 0.10 3.89 0.02 -1.26 -2.37 135.00 140.28 1qfw s PRO 11 Ca -0.12 2.01 0.08 0.00 0.02 0.00 0.00 61.00 62.98 1qfw s PRO 11 Cb -0.15 -3.20 -0.03 0.00 0.02 0.00 0.00 34.50 31.14 1qfw s PRO 11 CO 0.04 -0.20 -0.19 -1.50 -0.33 0.00 0.00 177.00 174.82 1qfw s ILE 12 N 0.00 1.59 0.64 2.83 1.10 0.18 -4.94 121.20 122.61 1qfw s ILE 12 Ca 0.55 -1.53 -0.16 0.00 -0.51 0.00 0.00 60.65 58.99 1qfw s ILE 12 Cb -0.35 -1.49 -0.01 0.00 0.15 0.00 0.00 42.46 40.76 1qfw s ILE 12 CO 0.38 -0.13 1.14 0.20 -2.11 0.00 0.00 174.94 174.43 1qfw s ASN 13 N -1.96 5.09 -0.24 4.50 -0.87 -1.26 -1.13 114.94 119.07 1qfw s ASN 13 Ca 0.06 2.13 -0.29 0.00 -1.57 0.00 0.00 52.86 53.19 1qfw s ASN 13 Cb -0.09 -2.57 0.16 0.00 -0.02 0.00 0.00 41.25 38.73 1qfw s ASN 13 CO 0.04 -1.65 1.21 0.00 -2.57 0.00 0.00 177.10 174.13 1qfw s ALA 14 N -2.09 -2.04 -0.33 0.60 0.00 0.13 -4.78 121.76 113.24 1qfw s ALA 14 Ca 0.70 1.76 -0.18 0.00 0.00 0.00 0.00 51.96 54.25 1qfw s ALA 14 Cb -0.24 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.67 1qfw s ALA 14 CO 0.38 -0.26 0.51 0.95 0.00 0.00 0.00 175.76 177.34 1qfw s THR 15 N -0.98 5.03 -0.22 0.00 -4.23 -1.26 -0.64 115.64 113.34 1qfw s THR 15 Ca 0.04 0.44 -0.06 0.00 -1.18 0.00 0.00 61.69 60.94 1qfw s THR 15 Cb -0.01 -3.93 -0.03 0.00 1.34 0.00 0.00 72.50 69.87 1qfw s THR 15 CO -0.04 -0.15 0.03 -0.22 -0.54 0.00 0.00 174.62 173.69 1qfw s LEU 16 N 2.38 3.36 0.14 4.79 2.96 0.43 -4.75 118.68 127.99 1qfw s LEU 16 Ca 0.19 -0.19 -0.31 0.00 -0.22 0.00 0.00 54.13 53.60 1qfw s LEU 16 Cb -0.15 -1.87 -0.08 0.00 0.50 0.00 0.00 46.19 44.58 1qfw s LEU 16 CO 0.13 0.03 1.40 0.00 -1.32 0.00 0.00 176.35 176.58 1qfw s ALA 17 N 1.23 3.60 -0.16 5.97 0.00 -1.26 -0.48 121.76 130.66 1qfw s ALA 17 Ca 0.04 1.15 -0.01 0.00 0.00 0.00 0.00 51.96 53.14 1qfw s ALA 17 Cb -0.15 -3.54 0.04 0.00 0.00 0.00 0.00 23.12 19.48 1qfw s ALA 17 CO 0.02 -0.62 -0.03 0.54 0.00 0.00 0.00 175.76 175.66 1qfw s VAL 18 N 0.91 0.93 0.02 0.00 0.11 -0.47 -4.90 120.40 117.01 1qfw s VAL 18 Ca 0.64 -0.53 -0.02 0.00 -2.93 0.00 0.00 61.98 59.14 1qfw s VAL 18 Cb -0.38 -1.16 -0.02 0.00 -1.53 0.00 0.00 36.38 33.30 1qfw s VAL 18 CO 0.32 0.09 0.02 -1.83 -3.33 0.00 0.00 175.10 170.37 1qfw s GLU 19 N 1.71 0.43 0.01 1.54 -1.05 -1.26 -2.74 118.70 117.34 1qfw s GLU 19 Ca 0.01 -0.69 0.08 0.00 -0.15 0.00 0.00 54.97 54.22 1qfw s GLU 19 Cb -0.15 0.16 -0.02 0.00 -0.44 0.00 0.00 34.13 33.67 1qfw s GLU 19 CO -0.07 -0.09 -0.24 0.21 0.95 0.00 0.00 175.26 176.02 1qfw s LYS 20 N -2.00 1.82 -0.81 -4.83 2.20 -1.26 -5.06 119.74 109.81 1qfw s LYS 20 Ca -0.11 -0.96 -0.25 0.00 -0.36 0.00 0.00 55.97 54.29 1qfw s LYS 20 Cb -0.06 -1.87 -0.04 0.00 -1.51 0.00 0.00 37.83 34.35 1qfw s LYS 20 CO -0.03 0.50 1.92 -2.00 -0.36 0.00 0.00 175.35 175.38 1qfw s GLU 21 N -0.89 2.57 0.00 4.03 2.12 -1.26 -3.02 118.70 122.26 1qfw s GLU 21 Ca 0.10 0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.43 1qfw s GLU 21 Cb -0.09 -4.84 0.00 0.00 0.26 0.00 0.00 34.13 29.45 1qfw s GLU 21 CO 0.01 -3.17 0.00 0.41 -0.54 0.00 0.00 175.26 171.96 1qfw n GLY 22 N 6.48 0.49 3.18 -1.50 0.00 -1.26 -5.04 105.19 107.54 1qfw n GLY 22 Ca 0.34 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 46.06 1qfw n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qfw n PRO 24 N 2.75 0.52 -3.65 0.00 -0.05 -1.26 -4.61 135.00 128.71 1qfw n PRO 24 Ca -0.16 0.00 -0.36 0.00 -0.05 0.00 0.00 63.50 62.93 1qfw n PRO 24 Cb 0.53 -1.12 -0.07 0.00 -0.05 0.00 0.00 33.50 32.79 1qfw n PRO 24 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 1qfw s VAL 25 N -1.53 4.31 0.00 0.52 -7.23 -1.26 -5.05 120.40 110.15 1qfw s VAL 25 Ca 0.00 -3.84 -0.30 0.00 -1.81 0.00 0.00 61.98 56.02 1qfw s VAL 25 Cb 0.00 -3.68 -0.05 0.00 0.56 0.00 0.00 36.38 33.21 1qfw s VAL 25 CO 0.00 -1.08 1.25 0.00 -0.31 0.00 0.00 175.10 174.96 1qfw n ILE 27 N 4.37 0.00 -3.88 0.00 -5.35 -1.11 -4.96 119.36 108.43 1qfw n ILE 27 Ca 0.11 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.47 1qfw n ILE 27 Cb 0.46 -0.33 -0.13 0.00 -1.74 0.00 0.00 39.64 37.90 1qfw n ILE 27 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1qfw s THR 28 N -0.16 0.03 0.20 7.28 2.01 -1.26 -1.37 115.64 122.36 1qfw s THR 28 Ca 0.00 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 61.79 1qfw s THR 28 Cb 0.00 -0.15 -0.05 0.00 0.01 0.00 0.00 72.50 72.31 1qfw s THR 28 CO 0.00 -0.13 -0.01 0.68 -0.69 0.00 0.00 174.62 174.47 1qfw s VAL 29 N -0.39 0.85 0.07 3.82 -7.23 0.37 -4.93 120.40 112.95 1qfw s VAL 29 Ca -0.04 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 57.82 1qfw s VAL 29 Cb -0.03 -2.20 -0.05 0.00 0.56 0.00 0.00 36.38 34.67 1qfw s VAL 29 CO 0.00 -0.43 0.98 0.54 -0.31 0.00 0.00 175.10 175.88 1qfw s ASN 30 N -3.23 7.44 0.09 4.85 6.03 -1.26 -0.42 114.94 128.43 1qfw s ASN 30 Ca 0.25 1.76 -0.26 0.00 -1.03 0.00 0.00 52.86 53.58 1qfw s ASN 30 Cb 0.06 -2.58 0.08 0.00 -3.03 0.00 0.00 41.25 35.77 1qfw s ASN 30 CO 0.06 -0.15 0.86 0.28 -2.03 0.00 0.00 177.10 176.12 1qfw s THR 31 N 0.39 0.00 -0.21 0.54 -1.32 0.19 -4.89 115.64 110.33 1qfw s THR 31 Ca 0.49 -0.28 -0.02 0.00 -1.21 0.00 0.00 61.69 60.67 1qfw s THR 31 Cb -0.23 -1.39 0.01 0.00 -1.51 0.00 0.00 72.50 69.38 1qfw s THR 31 CO 0.29 0.00 -0.10 -0.89 -2.21 0.00 0.00 174.62 171.71 1qfw s THR 32 N -3.30 2.85 0.21 5.08 2.01 -1.26 0.18 115.64 121.40 1qfw s THR 32 Ca 0.07 -0.72 0.08 0.00 0.31 0.00 0.00 61.69 61.43 1qfw s THR 32 Cb -0.01 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 1qfw s THR 32 CO -0.05 0.43 0.04 0.27 -0.69 0.00 0.00 174.62 174.62 1qfw s ILE 33 N 1.39 3.80 0.09 1.82 -4.36 -0.28 -2.05 121.20 121.61 1qfw s ILE 33 Ca 0.05 -1.55 -0.22 0.00 -0.26 0.00 0.00 60.65 58.67 1qfw s ILE 33 Cb -0.14 -2.97 -0.07 0.00 1.25 0.00 0.00 42.46 40.53 1qfw s ILE 33 CO -0.07 -0.23 0.67 0.00 0.24 0.00 0.00 174.94 175.56 1qfw s ALA 35 N -0.83 -1.92 0.00 0.00 0.00 -1.00 -4.90 121.76 113.12 1qfw s ALA 35 Ca 0.33 1.61 0.00 0.00 0.00 0.00 0.00 51.96 53.90 1qfw s ALA 35 Cb -0.21 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.17 1qfw s ALA 35 CO 0.22 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1qfw n GLY 36 N 1.02 -0.77 3.33 0.00 0.00 -1.26 -3.09 105.19 104.42 1qfw n GLY 36 Ca -0.12 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 1qfw n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qfw s TYR 37 N -3.00 2.73 0.24 1.61 2.02 0.71 -4.87 117.35 116.79 1qfw s TYR 37 Ca 0.00 -0.74 0.10 0.00 -0.37 0.00 0.00 57.07 56.06 1qfw s TYR 37 Cb 0.00 -1.79 -0.05 0.00 -0.40 0.00 0.00 41.96 39.72 1qfw s TYR 37 CO 0.00 -0.25 -0.18 0.00 -1.57 0.00 0.00 175.55 173.55 1qfw s PRO 39 N -3.46 4.46 0.13 0.00 0.04 -1.26 -5.04 135.00 129.87 1qfw s PRO 39 Ca 0.26 1.90 -0.21 0.00 0.04 0.00 0.00 61.00 62.98 1qfw s PRO 39 Cb -0.04 -3.25 0.06 0.00 0.04 0.00 0.00 34.50 31.32 1qfw s PRO 39 CO 0.11 -0.15 0.54 0.95 0.04 0.00 0.00 177.00 178.49 1qfw s THR 40 N 0.17 0.02 0.00 1.26 -4.23 -1.26 -4.21 115.64 107.40 1qfw s THR 40 Ca 0.55 -0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.88 1qfw s THR 40 Cb -0.33 -1.04 0.00 0.00 1.34 0.00 0.00 72.50 72.47 1qfw s THR 40 CO 0.36 -0.10 0.00 1.15 -0.54 0.00 0.00 174.62 175.49 1qfw n MET 41 N -0.22 0.00 -4.47 3.99 0.00 -1.26 -5.10 117.12 110.06 1qfw n MET 41 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.29 1qfw n MET 41 Cb 0.64 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.77 1qfw n MET 41 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1qfw s THR 42 N -2.80 0.60 0.05 3.17 -4.23 -1.26 -4.99 115.64 106.17 1qfw s THR 42 Ca 0.00 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 1qfw s THR 42 Cb 0.00 -2.43 -0.03 0.00 1.34 0.00 0.00 72.50 71.38 1qfw s THR 42 CO 0.00 0.00 -0.20 -0.60 -0.54 0.00 0.00 174.62 173.28 1qfw s ARG 43 N -3.74 1.34 -0.00 3.99 3.52 -1.26 -5.07 118.95 117.73 1qfw s ARG 43 Ca 0.28 -0.94 0.04 0.00 -0.13 0.00 0.00 55.73 54.98 1qfw s ARG 43 Cb 0.04 -1.45 -0.05 0.00 -1.56 0.00 0.00 34.95 31.92 1qfw s ARG 43 CO 0.16 0.37 0.13 0.28 -0.81 0.00 0.00 175.30 175.42 1qfw n VAL 44 N 1.81 0.00 -0.04 7.11 0.31 -1.26 -4.92 118.33 121.34 1qfw n VAL 44 Ca -0.17 -0.24 -0.07 0.00 -0.01 0.00 0.00 64.34 63.85 1qfw n VAL 44 Cb 0.53 0.68 -0.03 0.00 -0.91 0.00 0.00 33.84 34.11 1qfw n VAL 44 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1qfw n LEU 45 N -1.39 1.42 -4.61 7.52 7.94 -1.26 -4.81 117.00 121.81 1qfw n LEU 45 Ca -0.00 0.05 -0.43 0.00 -1.11 0.00 0.00 56.01 54.52 1qfw n LEU 45 Cb 0.09 -0.23 -0.02 0.00 0.53 0.00 0.00 43.42 43.78 1qfw n LEU 45 CO 0.08 0.32 1.23 -1.10 -1.11 0.00 0.00 177.39 176.82 1qfw s GLN 46 N -2.14 3.63 0.11 1.96 1.11 -1.26 -4.82 119.66 118.25 1qfw s GLN 46 Ca -0.10 1.03 0.22 0.00 0.01 0.00 0.00 55.36 56.52 1qfw s GLN 46 Cb 0.04 -4.01 0.89 0.00 -1.01 0.00 0.00 33.01 28.92 1qfw s GLN 46 CO 0.14 -1.49 1.69 0.41 0.01 0.00 0.00 175.29 176.05 1qfw n GLY 47 N 4.94 -1.31 0.24 3.09 0.00 -1.26 -4.22 105.19 106.68 1qfw n GLY 47 Ca 0.16 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1qfw n GLY 47 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1qfw h VAL 48 N 0.00 0.00 0.00 1.61 2.07 -2.01 -3.39 116.25 114.53 1qfw h VAL 48 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1qfw h VAL 48 Cb 0.42 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1qfw h VAL 48 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1qfw n LEU 49 N -2.47 0.00 -4.68 2.57 -0.00 -1.26 -5.13 117.00 106.03 1qfw n LEU 49 Ca -0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.57 1qfw n LEU 49 Cb 0.30 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.70 1qfw n LEU 49 CO 0.10 0.00 0.92 -2.84 -0.00 0.00 0.00 177.39 175.57 1qfw s PRO 50 N -1.45 4.35 -0.34 1.47 0.02 -1.26 -4.93 135.00 132.87 1qfw s PRO 50 Ca 0.00 1.57 0.07 0.00 0.02 0.00 0.00 61.00 62.66 1qfw s PRO 50 Cb 0.00 -3.58 0.49 0.00 0.02 0.00 0.00 34.50 31.43 1qfw s PRO 50 CO 0.00 -0.45 1.48 0.00 -0.33 0.00 0.00 177.00 177.70 1qfw n ALA 51 N 5.37 4.75 -2.68 -1.55 0.00 -1.26 -5.00 120.51 120.14 1qfw n ALA 51 Ca 0.11 -3.34 -0.40 0.00 0.00 0.00 0.00 53.44 49.81 1qfw n ALA 51 Cb 0.47 -0.78 -0.05 0.00 0.00 0.00 0.00 19.45 19.09 1qfw n ALA 51 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1qfw s LEU 52 N -3.40 4.20 0.37 0.00 2.96 -1.26 -5.04 118.68 116.51 1qfw s LEU 52 Ca 0.49 0.97 -0.28 0.00 -0.22 0.00 0.00 54.13 55.09 1qfw s LEU 52 Cb 0.42 -2.97 -0.11 0.00 0.50 0.00 0.00 46.19 44.03 1qfw s LEU 52 CO 0.00 -0.23 1.50 -0.81 -1.32 0.00 0.00 176.35 175.49 1qfw n PRO 53 N 4.64 2.68 -4.25 0.98 -0.04 -1.26 -5.00 135.00 132.76 1qfw n PRO 53 Ca -0.01 0.94 -0.27 0.00 -0.04 0.00 0.00 63.50 64.12 1qfw n PRO 53 Cb 0.50 -2.68 -0.09 0.00 -0.04 0.00 0.00 33.50 31.20 1qfw n PRO 53 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1qfw s GLN 54 N -1.91 2.20 0.00 0.54 -0.21 -1.26 -4.83 119.66 114.20 1qfw s GLN 54 Ca 0.54 -1.16 0.08 0.00 0.02 0.00 0.00 55.36 54.85 1qfw s GLN 54 Cb -0.48 -2.26 -0.02 0.00 1.00 0.00 0.00 33.01 31.25 1qfw s GLN 54 CO 0.62 0.46 -0.26 0.14 -2.12 0.00 0.00 175.29 174.13 1qfw s VAL 55 N -1.62 2.07 0.15 1.09 -7.23 -1.26 -4.73 120.40 108.87 1qfw s VAL 55 Ca 0.25 -1.20 0.10 0.00 -1.81 0.00 0.00 61.98 59.32 1qfw s VAL 55 Cb -0.09 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 1qfw s VAL 55 CO 0.16 0.51 -0.22 0.68 -0.31 0.00 0.00 175.10 175.92 1qfw s VAL 56 N -0.67 2.03 0.23 1.32 -7.23 -0.63 -4.77 120.40 110.68 1qfw s VAL 56 Ca 0.11 -1.81 -0.30 0.00 -1.81 0.00 0.00 61.98 58.17 1qfw s VAL 56 Cb -0.10 -1.87 -0.09 0.00 0.56 0.00 0.00 36.38 34.88 1qfw s VAL 56 CO -0.00 -0.10 1.06 0.00 -0.31 0.00 0.00 175.10 175.75 1qfw s ASN 58 N -0.62 1.40 0.69 0.00 -0.87 0.08 -4.96 114.94 110.66 1qfw s ASN 58 Ca 0.46 -1.66 -0.11 0.00 -1.57 0.00 0.00 52.86 49.97 1qfw s ASN 58 Cb -0.29 0.60 0.00 0.00 -0.02 0.00 0.00 41.25 41.54 1qfw s ASN 58 CO 0.36 -1.15 1.06 -0.31 -2.57 0.00 0.00 177.10 174.49 1qfw s TYR 59 N -3.29 3.25 0.19 2.20 2.02 -1.26 -1.12 117.35 119.34 1qfw s TYR 59 Ca 0.37 1.29 0.00 0.00 -0.37 0.00 0.00 57.07 58.36 1qfw s TYR 59 Cb 0.01 -2.89 0.00 0.00 -0.40 0.00 0.00 41.96 38.68 1qfw s TYR 59 CO 0.25 -1.14 0.00 -2.13 -1.57 0.00 0.00 175.55 170.96 1qfw n ARG 60 N -3.05 0.00 -4.06 -0.62 0.63 0.59 -4.50 116.66 105.65 1qfw n ARG 60 Ca 0.07 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.66 1qfw n ARG 60 Cb 0.55 -0.16 -0.15 0.00 0.45 0.00 0.00 32.46 33.14 1qfw n ARG 60 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1qfw s ASP 61 N -5.21 3.53 0.07 6.15 1.11 -1.05 -4.93 116.67 116.35 1qfw s ASP 61 Ca 0.00 -0.66 0.07 0.00 0.18 0.00 0.00 52.55 52.14 1qfw s ASP 61 Cb 0.00 -1.55 -0.03 0.00 1.07 0.00 0.00 42.92 42.41 1qfw s ASP 61 CO 0.00 -0.03 -0.18 0.68 1.18 0.00 0.00 175.17 176.82 1qfw s VAL 62 N 1.32 1.46 0.06 -1.27 -7.23 -1.26 -0.47 120.40 113.00 1qfw s VAL 62 Ca 0.04 -1.31 0.05 0.00 -1.81 0.00 0.00 61.98 58.95 1qfw s VAL 62 Cb -0.14 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 35.45 1qfw s VAL 62 CO -0.10 -0.03 -0.15 0.00 -0.31 0.00 0.00 175.10 174.51 1qfw s ARG 63 N -1.57 0.91 0.13 4.82 1.70 -0.69 -4.94 118.95 119.31 1qfw s ARG 63 Ca 0.04 -0.92 0.06 0.00 -0.47 0.00 0.00 55.73 54.44 1qfw s ARG 63 Cb -0.09 -0.95 -0.04 0.00 -0.57 0.00 0.00 34.95 33.30 1qfw s ARG 63 CO 0.03 0.22 0.02 -0.06 -1.08 0.00 0.00 175.30 174.43 1qfw s PHE 64 N -1.12 2.96 0.29 5.89 0.40 -1.26 0.59 117.98 125.73 1qfw s PHE 64 Ca 0.00 -0.07 0.02 0.00 -0.60 0.00 0.00 56.93 56.29 1qfw s PHE 64 Cb -0.09 -1.47 -0.06 0.00 0.51 0.00 0.00 43.02 41.91 1qfw s PHE 64 CO 0.02 0.50 0.08 -1.21 0.70 0.00 0.00 175.22 175.31 1qfw s GLU 65 N -2.69 1.52 -0.03 0.44 2.02 -0.36 -4.93 118.70 114.67 1qfw s GLU 65 Ca 0.27 -1.83 -0.01 0.00 0.02 0.00 0.00 54.97 53.42 1qfw s GLU 65 Cb -0.10 -0.52 0.03 0.00 0.10 0.00 0.00 34.13 33.63 1qfw s GLU 65 CO 0.19 -0.25 0.05 -1.54 0.02 0.00 0.00 175.26 173.73 1qfw s SER 66 N -3.39 0.79 -0.08 -0.19 1.04 -1.26 -1.02 113.70 109.58 1qfw s SER 66 Ca 0.37 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.87 1qfw s SER 66 Cb 0.08 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.05 1qfw s SER 66 CO 0.15 -0.21 -0.07 -0.51 0.98 0.00 0.00 173.24 173.58 1qfw s ILE 67 N 1.79 3.65 -0.23 -1.02 1.10 -0.70 -4.94 121.20 120.85 1qfw s ILE 67 Ca 0.00 -0.49 -0.09 0.00 -0.51 0.00 0.00 60.65 59.56 1qfw s ILE 67 Cb -0.12 -2.50 -0.04 0.00 0.15 0.00 0.00 42.46 39.94 1qfw s ILE 67 CO -0.03 0.58 0.12 0.00 -2.11 0.00 0.00 174.94 173.51 1qfw s ARG 68 N -0.63 3.94 -0.95 3.50 1.70 -1.26 -1.43 118.95 123.82 1qfw s ARG 68 Ca 0.09 -0.34 -0.23 0.00 -0.47 0.00 0.00 55.73 54.79 1qfw s ARG 68 Cb -0.12 -3.44 0.07 0.00 -0.57 0.00 0.00 34.95 30.89 1qfw s ARG 68 CO 0.02 0.02 1.34 -0.51 -1.08 0.00 0.00 175.30 175.08 1qfw s LEU 69 N 1.13 3.84 0.24 -1.89 1.43 -1.21 -4.91 118.68 117.31 1qfw s LEU 69 Ca 0.06 -1.43 -0.05 0.00 -1.03 0.00 0.00 54.13 51.68 1qfw s LEU 69 Cb -0.14 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 1qfw s LEU 69 CO 0.04 -1.45 0.49 -2.84 0.23 0.00 0.00 176.35 172.83 1qfw s PRO 70 N 4.54 3.63 0.00 1.29 0.02 -1.26 -4.17 135.00 139.04 1qfw s PRO 70 Ca 0.41 -0.04 0.00 0.00 0.02 0.00 0.00 61.00 61.38 1qfw s PRO 70 Cb -0.03 -2.72 0.00 0.00 0.02 0.00 0.00 34.50 31.77 1qfw s PRO 70 CO -0.06 0.31 0.00 0.41 -0.33 0.00 0.00 177.00 177.33 1qfw n GLY 71 N -0.61 1.27 3.40 0.52 0.00 -1.26 -4.91 105.19 103.59 1qfw n GLY 71 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1qfw n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qfw s PRO 73 N -2.02 1.73 0.13 0.00 0.02 -1.26 -4.95 135.00 128.64 1qfw s PRO 73 Ca 0.64 0.92 -0.30 0.00 0.02 0.00 0.00 61.00 62.28 1qfw s PRO 73 Cb -0.42 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.17 1qfw s PRO 73 CO 0.59 -1.94 1.27 0.50 -0.33 0.00 0.00 177.00 177.09 1qfw s ARG 74 N -4.95 4.41 0.00 5.54 3.52 -1.26 -2.71 118.95 123.50 1qfw s ARG 74 Ca 0.62 1.93 0.00 0.00 -0.13 0.00 0.00 55.73 58.15 1qfw s ARG 74 Cb -0.17 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 29.95 1qfw s ARG 74 CO 0.56 -0.26 0.00 0.41 -0.81 0.00 0.00 175.30 175.20 1qfw n GLY 75 N 2.88 2.14 3.72 8.12 0.00 -1.26 -5.08 105.19 115.71 1qfw n GLY 75 Ca 0.08 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 1qfw n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qfw s VAL 76 N -0.35 4.88 -0.14 1.61 1.01 -1.10 -5.02 120.40 121.29 1qfw s VAL 76 Ca 0.00 1.83 -0.29 0.00 0.00 0.00 0.00 61.98 63.51 1qfw s VAL 76 Cb 0.00 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1qfw s VAL 76 CO 0.00 0.22 1.08 0.21 0.00 0.00 0.00 175.10 176.61 1qfw s ASN 77 N 0.75 7.14 -0.03 3.32 3.84 -1.26 -4.81 114.94 123.87 1qfw s ASN 77 Ca 0.46 1.55 -0.20 0.00 0.21 0.00 0.00 52.86 54.87 1qfw s ASN 77 Cb -0.20 -2.55 -0.14 0.00 -0.55 0.00 0.00 41.25 37.81 1qfw s ASN 77 CO 0.25 -0.57 0.88 -0.65 -2.79 0.00 0.00 177.10 174.22 1qfw h PRO 78 N 7.39 -0.35 -5.29 0.43 0.11 -1.95 -3.45 132.00 128.88 1qfw h PRO 78 Ca -0.27 0.02 -0.57 0.00 0.11 0.00 0.00 66.00 65.29 1qfw h PRO 78 Cb 1.12 0.08 -0.07 0.00 0.11 0.00 0.00 31.00 32.23 1qfw h PRO 78 CO 0.91 -0.02 1.64 0.28 -0.21 0.00 0.00 178.00 180.60 1qfw n VAL 79 N -5.04 0.00 -4.30 3.15 0.31 -1.26 -3.36 118.33 107.83 1qfw n VAL 79 Ca -0.08 -0.02 -0.32 0.00 -0.01 0.00 0.00 64.34 63.91 1qfw n VAL 79 Cb 0.25 -0.56 -0.09 0.00 -0.91 0.00 0.00 33.84 32.54 1qfw n VAL 79 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1qfw s VAL 80 N 8.23 4.07 -0.09 2.52 0.11 -0.51 -4.98 120.40 129.76 1qfw s VAL 80 Ca 1.31 -0.65 0.04 0.00 -2.93 0.00 0.00 61.98 59.75 1qfw s VAL 80 Cb -1.30 -2.81 -0.01 0.00 -1.53 0.00 0.00 36.38 30.73 1qfw s VAL 80 CO 0.53 0.37 -0.21 -0.94 -3.33 0.00 0.00 175.10 171.52 1qfw s SER 81 N -1.57 3.39 0.17 3.54 1.04 -1.26 -1.72 113.70 117.29 1qfw s SER 81 Ca 0.19 -0.45 0.05 0.00 0.48 0.00 0.00 55.95 56.22 1qfw s SER 81 Cb -0.11 -1.20 -0.04 0.00 0.10 0.00 0.00 66.02 64.77 1qfw s SER 81 CO 0.10 0.21 0.17 -0.72 0.98 0.00 0.00 173.24 173.98 1qfw s TYR 82 N 0.05 3.20 -0.32 5.02 1.13 -0.19 -4.92 117.35 121.32 1qfw s TYR 82 Ca -0.09 0.00 -0.07 0.00 -1.41 0.00 0.00 57.07 55.51 1qfw s TYR 82 Cb -0.15 -1.53 0.03 0.00 -1.10 0.00 0.00 41.96 39.20 1qfw s TYR 82 CO 0.05 0.52 0.09 0.00 -2.51 0.00 0.00 175.55 173.71 1qfw s ALA 83 N -1.77 3.05 0.11 9.51 0.00 -1.26 -1.23 121.76 130.18 1qfw s ALA 83 Ca 0.32 -1.63 -0.29 0.00 0.00 0.00 0.00 51.96 50.36 1qfw s ALA 83 Cb -0.10 -2.22 -0.06 0.00 0.00 0.00 0.00 23.12 20.74 1qfw s ALA 83 CO 0.24 -1.17 0.90 0.08 0.00 0.00 0.00 175.76 175.82 1qfw s VAL 84 N 1.44 4.50 -0.57 0.00 1.01 0.20 -4.63 120.40 122.35 1qfw s VAL 84 Ca 0.00 1.95 -0.20 0.00 0.00 0.00 0.00 61.98 63.73 1qfw s VAL 84 Cb -0.19 -4.27 0.08 0.00 0.00 0.00 0.00 36.38 32.01 1qfw s VAL 84 CO 0.03 0.36 0.73 0.00 0.00 0.00 0.00 175.10 176.21 1qfw s ALA 85 N -0.20 3.34 -0.02 5.51 0.00 -0.87 -1.70 121.76 127.82 1qfw s ALA 85 Ca 0.44 -1.93 -0.22 0.00 0.00 0.00 0.00 51.96 50.24 1qfw s ALA 85 Cb -0.23 -3.53 -0.23 0.00 0.00 0.00 0.00 23.12 19.13 1qfw s ALA 85 CO 0.28 -2.29 1.07 -0.07 0.00 0.00 0.00 175.76 174.75 1qfw h LEU 86 N 10.15 0.35 -8.38 0.00 3.38 -1.12 -3.46 115.31 116.23 1qfw h LEU 86 Ca -0.28 -0.75 -0.55 0.00 0.09 0.00 0.00 57.88 56.38 1qfw h LEU 86 Cb 1.09 -0.11 -0.28 0.00 0.09 0.00 0.00 40.66 41.45 1qfw h LEU 86 CO 1.06 1.06 -0.83 -0.44 0.09 0.00 0.00 178.44 179.38 1qfw s SER 87 N -6.47 2.15 0.19 -0.43 0.01 -0.53 -4.92 113.70 103.70 1qfw s SER 87 Ca -0.15 -0.37 0.11 0.00 1.31 0.00 0.00 55.95 56.85 1qfw s SER 87 Cb 0.02 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 1qfw s SER 87 CO 0.77 0.19 -0.24 0.00 0.41 0.00 0.00 173.24 174.38 1qfw s GLN 89 N -2.62 1.07 -0.34 0.00 1.11 -0.28 -4.76 119.66 113.84 1qfw s GLN 89 Ca 0.20 -0.32 -0.11 0.00 0.01 0.00 0.00 55.36 55.14 1qfw s GLN 89 Cb -0.08 0.49 0.00 0.00 -1.01 0.00 0.00 33.01 32.41 1qfw s GLN 89 CO 0.09 -0.45 0.19 0.00 0.01 0.00 0.00 175.29 175.14 1qfw n ALA 91 N 5.03 0.00 -1.92 0.00 0.00 -0.98 -4.92 120.51 117.72 1qfw n ALA 91 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.03 1qfw n ALA 91 Cb 0.48 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.04 1qfw n ALA 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qfw s LEU 92 N 0.00 2.67 -0.10 0.00 1.02 -1.26 -1.61 118.68 119.40 1qfw s LEU 92 Ca 0.00 0.50 -0.17 0.00 0.02 0.00 0.00 54.13 54.48 1qfw s LEU 92 Cb 0.00 -2.92 -0.05 0.00 0.02 0.00 0.00 46.19 43.25 1qfw s LEU 92 CO 0.00 -2.01 0.42 0.00 0.02 0.00 0.00 176.35 174.78 1qfw s ARG 94 N 0.26 3.25 0.22 0.00 0.52 -1.26 -4.94 118.95 117.00 1qfw s ARG 94 Ca 0.23 -0.51 -0.13 0.00 -0.52 0.00 0.00 55.73 54.81 1qfw s ARG 94 Cb -0.15 -4.06 0.25 0.00 0.52 0.00 0.00 34.95 31.51 1qfw s ARG 94 CO 0.09 -1.35 1.62 -0.09 0.02 0.00 0.00 175.30 175.60 1qfw h ARG 95 N 9.15 0.00 -0.63 3.54 2.43 -1.96 0.47 114.38 127.38 1qfw h ARG 95 Ca -0.27 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.82 1qfw h ARG 95 Cb 1.08 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 1qfw h ARG 95 CO 1.03 0.00 0.05 0.66 -1.51 0.00 0.00 179.97 180.20 1qfw h SER 96 N 0.00 1.02 -0.11 -3.80 4.64 -2.06 -3.23 113.55 110.02 1qfw h SER 96 Ca 0.32 -0.26 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 1qfw h SER 96 Cb 0.48 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1qfw h SER 96 CO -0.67 1.05 -0.19 0.35 -0.87 0.00 0.00 176.83 176.50 1qfw n THR 97 N -4.20 2.19 -3.71 2.95 -2.24 -0.96 -5.03 114.28 103.29 1qfw n THR 97 Ca 0.04 -2.65 -0.14 0.00 -2.27 0.00 0.00 64.05 59.03 1qfw n THR 97 Cb 0.32 -0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 68.21 1qfw n THR 97 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1qfw s THR 98 N -3.07 0.05 -0.50 4.28 2.01 0.16 -4.92 115.64 113.65 1qfw s THR 98 Ca 0.38 -0.39 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 1qfw s THR 98 Cb 0.35 -0.72 0.13 0.00 0.01 0.00 0.00 72.50 72.26 1qfw s THR 98 CO -0.00 -0.21 0.30 -0.62 -0.69 0.00 0.00 174.62 173.40 1qfw s ASP 99 N -1.37 5.23 0.26 3.53 2.15 -1.26 -4.55 116.67 120.66 1qfw s ASP 99 Ca -0.12 -2.39 -0.19 0.00 0.43 0.00 0.00 52.55 50.27 1qfw s ASP 99 Cb -0.04 -1.84 -0.09 0.00 -0.30 0.00 0.00 42.92 40.66 1qfw s ASP 99 CO 0.05 -0.47 0.76 0.00 -0.17 0.00 0.00 175.17 175.34 1qfw n GLY 101 N 0.42 -0.32 0.15 0.00 0.00 -1.26 -5.17 105.19 99.01 1qfw n GLY 101 Ca -0.00 0.37 -0.01 0.00 0.00 0.00 0.00 46.02 46.38 1qfw n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qfw n GLY 102 N 0.00 4.02 3.55 -0.02 0.00 -1.26 -5.05 105.19 106.42 1qfw n GLY 102 Ca 0.00 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 1qfw n GLY 102 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1qfw n PRO 103 N -0.03 0.78 -0.60 1.61 -0.02 -1.26 -4.89 135.00 130.58 1qfw n PRO 103 Ca 0.00 -0.21 -0.29 0.00 -2.02 0.00 0.00 63.50 60.98 1qfw n PRO 103 Cb 0.03 -3.22 0.26 0.00 -0.02 0.00 0.00 33.50 30.54 1qfw n PRO 103 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1qfw s LYS 104 N 8.47 -1.71 0.00 -0.52 -0.14 -1.26 -5.00 119.74 119.59 1qfw s LYS 104 Ca 1.02 0.39 0.00 0.00 -1.36 0.00 0.00 55.97 56.02 1qfw s LYS 104 Cb -0.30 -1.50 0.00 0.00 -1.68 0.00 0.00 37.83 34.35 1qfw s LYS 104 CO 0.25 -4.13 0.09 -0.40 -0.76 0.00 0.00 175.35 170.40 1qfw n ASP 105 N -5.14 0.00 -3.85 2.83 5.68 -1.26 -4.48 116.55 110.33 1qfw n ASP 105 Ca 0.08 0.09 -0.22 0.00 -0.50 0.00 0.00 54.79 54.24 1qfw n ASP 105 Cb 0.58 -0.01 -0.17 0.00 -1.14 0.00 0.00 41.12 40.38 1qfw n ASP 105 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 1qfw s HIS 106 N -1.27 0.86 1.03 2.11 -3.43 -1.26 -5.15 115.29 108.18 1qfw s HIS 106 Ca 0.00 -0.29 -0.12 0.00 -0.80 0.00 0.00 55.06 53.86 1qfw s HIS 106 Cb 0.00 -0.83 0.20 0.00 -1.43 0.00 0.00 32.58 30.52 1qfw s HIS 106 CO 0.00 -0.30 1.01 -0.35 -2.00 0.00 0.00 174.74 173.10 1qfw n PRO 107 N 4.63 -1.29 -1.73 -0.38 -0.04 -1.26 -4.89 135.00 130.05 1qfw n PRO 107 Ca -0.15 -0.33 -0.18 0.00 -0.04 0.00 0.00 63.50 62.80 1qfw n PRO 107 Cb 0.50 -2.24 -0.08 0.00 -0.04 0.00 0.00 33.50 31.64 1qfw n PRO 107 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1qfw s LEU 108 N -6.37 2.79 -0.20 1.53 2.34 -1.26 -4.92 118.68 112.59 1qfw s LEU 108 Ca 0.67 -0.57 -0.34 0.00 0.06 0.00 0.00 54.13 53.95 1qfw s LEU 108 Cb -0.24 -2.57 0.15 0.00 -0.56 0.00 0.00 46.19 42.97 1qfw s LEU 108 CO 0.62 -3.84 1.22 0.28 -1.06 0.00 0.00 176.35 173.56 1qfw s THR 109 N 14.17 0.00 -0.31 5.48 -1.32 -1.26 -4.30 115.64 128.09 1qfw s THR 109 Ca 0.83 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 61.05 1qfw s THR 109 Cb -0.08 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.92 1qfw s THR 109 CO 0.10 0.00 0.89 0.00 -2.21 0.00 0.00 174.62 173.40 1qfw n ASP 111 N 6.45 -2.42 0.00 0.00 2.03 -1.26 -5.10 116.55 116.24 1qfw n ASP 111 Ca 0.07 -0.52 0.00 0.00 0.52 0.00 0.00 54.79 54.85 1qfw n ASP 111 Cb 0.48 -2.07 0.00 0.00 -0.72 0.00 0.00 41.12 38.81 1qfw n ASP 111 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61