#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fdk s ALA 17 N 0.00 3.77 0.00 0.00 0.00 -1.26 -1.73 121.76 122.54 2fdk s ALA 17 Ca 0.00 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.40 2fdk s ALA 17 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2fdk s ALA 17 CO 0.00 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 174.98 2fdk n GLY 18 N 4.19 3.05 3.77 0.00 0.00 -1.26 -1.87 105.19 113.07 2fdk n GLY 18 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 2fdk n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fdk s ALA 19 N -1.89 3.16 -0.20 4.61 0.00 -0.70 -3.48 121.76 123.26 2fdk s ALA 19 Ca 0.00 0.79 -0.00 0.00 0.00 0.00 0.00 51.96 52.75 2fdk s ALA 19 Cb 0.00 -3.30 0.05 0.00 0.00 0.00 0.00 23.12 19.87 2fdk s ALA 19 CO 0.00 -0.26 -0.04 0.08 0.00 0.00 0.00 175.76 175.53 2fdk s VAL 20 N -1.50 1.24 -0.31 0.00 1.01 -0.53 -4.97 120.40 115.34 2fdk s VAL 20 Ca 0.55 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 2fdk s VAL 20 Cb -0.26 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 2fdk s VAL 20 CO 0.33 -0.03 0.34 -0.63 0.00 0.00 0.00 175.10 175.11 2fdk s ILE 21 N 1.55 5.19 -0.73 2.22 1.01 -1.26 -0.98 121.20 128.20 2fdk s ILE 21 Ca -0.03 0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.87 2fdk s ILE 21 Cb -0.17 -3.74 0.18 0.00 0.01 0.00 0.00 42.46 38.73 2fdk s ILE 21 CO -0.07 0.03 0.56 -0.76 0.00 0.00 0.00 174.94 174.70 2fdk s LEU 22 N 2.00 5.12 0.25 2.97 1.43 0.26 -5.01 118.68 125.71 2fdk s LEU 22 Ca 0.12 -3.47 -0.30 0.00 -1.03 0.00 0.00 54.13 49.45 2fdk s LEU 22 Cb -0.16 -1.79 -0.10 0.00 0.03 0.00 0.00 46.19 44.17 2fdk s LEU 22 CO 0.11 -0.21 1.45 -0.13 0.23 0.00 0.00 176.35 177.80 2fdk s ARG 23 N -0.95 4.26 0.00 1.70 0.52 -1.26 -1.49 118.95 121.74 2fdk s ARG 23 Ca 0.23 2.31 0.00 0.00 -0.52 0.00 0.00 55.73 57.75 2fdk s ARG 23 Cb -0.12 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.24 2fdk s ARG 23 CO -0.10 -0.43 0.00 0.54 0.02 0.00 0.00 175.30 175.33 2fdk n ARG 24 N 2.40 -0.70 -0.27 3.54 5.12 -1.18 -4.85 116.66 120.72 2fdk n ARG 24 Ca 0.07 0.18 0.16 0.00 -1.93 0.00 0.00 57.85 56.33 2fdk n ARG 24 Cb 0.40 -4.13 0.44 0.00 -1.16 0.00 0.00 32.46 28.01 2fdk n ARG 24 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2fdk h PHE 25 N 0.00 0.71 -0.63 -1.55 3.57 -1.14 -1.17 116.94 116.74 2fdk h PHE 25 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2fdk h PHE 25 Cb 0.35 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.87 2fdk h PHE 25 CO 0.22 0.20 0.00 0.00 -2.23 0.00 0.00 178.31 176.50 2fdk n ALA 26 N -2.46 3.41 -0.09 2.41 0.00 0.10 -4.58 120.51 119.31 2fdk n ALA 26 Ca 0.20 -1.71 -0.06 0.00 0.00 0.00 0.00 53.44 51.86 2fdk n ALA 26 Cb 0.62 -1.07 0.01 0.00 0.00 0.00 0.00 19.45 19.01 2fdk n ALA 26 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2fdk h PHE 27 N 4.09 -0.00 -0.47 0.00 3.57 -1.37 0.17 116.94 122.93 2fdk h PHE 27 Ca 0.00 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2fdk h PHE 27 Cb 1.67 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 40.44 2fdk h PHE 27 CO 0.91 -0.05 0.01 -0.91 -2.23 0.00 0.00 178.31 176.03 2fdk h ASN 28 N 0.10 0.73 1.55 0.41 -0.26 -1.81 -2.94 115.58 113.36 2fdk h ASN 28 Ca 0.16 -0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 2fdk h ASN 28 Cb 0.21 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.27 2fdk h ASN 28 CO -0.26 0.80 -0.34 0.00 -1.06 0.00 0.00 177.43 176.56 2fdk h ALA 29 N 1.29 0.82 -0.67 -0.83 0.00 -1.79 -3.40 119.26 114.67 2fdk h ALA 29 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2fdk h ALA 29 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 2fdk h ALA 29 CO 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 179.25 178.87 2fdk n ALA 30 N -2.06 -0.43 -0.16 0.00 0.00 0.56 -1.45 120.51 116.97 2fdk n ALA 30 Ca 0.03 0.57 -0.03 0.00 0.00 0.00 0.00 53.44 54.01 2fdk n ALA 30 Cb 0.52 -0.09 0.06 0.00 0.00 0.00 0.00 19.45 19.94 2fdk n ALA 30 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2fdk h GLU 31 N 0.00 0.29 -0.68 0.00 5.08 -1.79 -0.85 114.58 116.64 2fdk h GLU 31 Ca 0.11 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 2fdk h GLU 31 Cb 0.28 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2fdk h GLU 31 CO -0.63 0.19 0.11 0.37 -1.00 0.00 0.00 179.01 178.05 2fdk h GLN 32 N 0.30 1.12 -0.77 2.33 5.75 -1.55 -2.03 115.11 120.27 2fdk h GLN 32 Ca 0.24 -0.30 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 2fdk h GLN 32 Cb 0.28 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.66 2fdk h GLN 32 CO -0.27 1.02 0.44 -0.07 -2.65 0.00 0.00 178.83 177.30 2fdk h LEU 33 N 1.05 0.94 -0.95 -2.39 3.38 -0.69 -0.50 115.31 116.14 2fdk h LEU 33 Ca 0.21 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 2fdk h LEU 33 Cb 0.44 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2fdk h LEU 33 CO 0.01 0.75 0.01 0.40 0.09 0.00 0.00 178.44 179.70 2fdk h ILE 34 N 1.06 1.24 -0.63 1.22 2.04 -0.90 0.75 117.51 122.29 2fdk h ILE 34 Ca 0.27 -0.97 -0.09 0.00 1.00 0.00 0.00 64.86 65.07 2fdk h ILE 34 Cb -0.00 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 2fdk h ILE 34 CO -0.05 0.34 0.03 0.03 0.00 0.00 0.00 178.15 178.51 2fdk h ARG 35 N 0.72 1.10 0.00 2.37 3.08 -0.73 -2.51 114.38 118.40 2fdk h ARG 35 Ca 0.14 -0.33 -0.09 0.00 0.07 0.00 0.00 59.98 59.77 2fdk h ARG 35 Cb 0.43 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2fdk h ARG 35 CO 0.02 1.05 -0.43 -0.44 -1.07 0.00 0.00 179.97 179.09 2fdk h ASP 36 N 1.01 0.00 -0.28 7.04 3.32 -0.54 -2.13 116.42 124.84 2fdk h ASP 36 Ca 0.18 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 2fdk h ASP 36 Cb 0.53 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 2fdk h ASP 36 CO 0.03 0.43 -0.01 0.40 -1.72 0.00 0.00 179.24 178.37 2fdk h ILE 37 N 0.00 1.26 -0.64 0.35 2.04 -0.62 -0.19 117.51 119.71 2fdk h ILE 37 Ca -0.00 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 64.89 2fdk h ILE 37 Cb 1.01 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.40 2fdk h ILE 37 CO 0.06 0.31 0.38 0.78 0.00 0.00 0.00 178.15 179.67 2fdk h ASN 38 N 0.28 0.76 0.09 1.72 2.35 -1.29 0.14 115.58 119.64 2fdk h ASN 38 Ca 0.08 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2fdk h ASN 38 Cb 0.45 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2fdk h ASN 38 CO 0.02 0.59 -0.04 -0.78 -1.65 0.00 0.00 177.43 175.57 2fdk h ASP 39 N 0.88 -0.10 -0.43 5.81 -0.00 -0.90 -1.47 116.42 120.21 2fdk h ASP 39 Ca 0.23 -0.07 0.02 0.00 -0.00 0.00 0.00 57.03 57.21 2fdk h ASP 39 Cb -0.03 0.03 -0.03 0.00 -0.00 0.00 0.00 39.33 39.30 2fdk h ASP 39 CO -0.04 0.01 0.25 0.58 -0.00 0.00 0.00 179.24 180.04 2fdk h VAL 40 N -0.20 1.04 -0.05 2.25 2.07 -0.48 -1.77 116.25 119.11 2fdk h VAL 40 Ca -0.01 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.35 2fdk h VAL 40 Cb 0.16 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2fdk h VAL 40 CO 0.02 0.09 0.05 0.00 0.02 0.00 0.00 177.57 177.76 2fdk h ALA 41 N 1.19 1.61 -0.22 1.67 0.00 -0.47 0.07 119.26 123.12 2fdk h ALA 41 Ca 0.17 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2fdk h ALA 41 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2fdk h ALA 41 CO -0.08 -0.08 -0.18 0.66 0.00 0.00 0.00 179.25 179.57 2fdk h SER 42 N 0.00 0.36 0.04 0.00 4.64 -0.34 -2.04 113.55 116.21 2fdk h SER 42 Ca 0.02 -0.10 -0.31 0.00 -0.47 0.00 0.00 61.79 60.93 2fdk h SER 42 Cb 0.13 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.09 2fdk h SER 42 CO -0.00 0.57 -1.73 1.67 -0.87 0.00 0.00 176.83 176.46 2fdk n GLN 43 N -4.19 0.63 -3.97 4.77 7.27 -0.49 -4.72 117.38 116.67 2fdk n GLN 43 Ca -0.00 0.42 -0.31 0.00 0.07 0.00 0.00 57.00 57.18 2fdk n GLN 43 Cb 0.34 -1.69 -0.14 0.00 2.41 0.00 0.00 30.24 31.16 2fdk n GLN 43 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2fdk s SER 44 N -6.98 4.53 0.78 1.69 0.01 -0.11 -4.97 113.70 108.65 2fdk s SER 44 Ca -0.29 -2.64 -0.14 0.00 1.31 0.00 0.00 55.95 54.19 2fdk s SER 44 Cb 0.08 -1.64 0.07 0.00 0.21 0.00 0.00 66.02 64.73 2fdk s SER 44 CO 0.63 -0.30 1.21 -2.84 0.41 0.00 0.00 173.24 172.35 2fdk s PRO 45 N 0.23 1.78 0.28 12.44 0.02 -0.77 -3.85 135.00 145.13 2fdk s PRO 45 Ca 0.14 1.78 -0.29 0.00 0.02 0.00 0.00 61.00 62.65 2fdk s PRO 45 Cb -0.23 -1.79 -0.10 0.00 0.02 0.00 0.00 34.50 32.40 2fdk s PRO 45 CO -0.03 -2.11 1.28 -0.06 -0.33 0.00 0.00 177.00 175.74 2fdk s PHE 46 N -2.07 3.19 -0.03 6.54 0.40 -1.26 -4.72 117.98 120.02 2fdk s PHE 46 Ca 0.74 1.39 -0.07 0.00 -0.60 0.00 0.00 56.93 58.39 2fdk s PHE 46 Cb -0.29 -3.60 0.01 0.00 0.51 0.00 0.00 43.02 39.64 2fdk s PHE 46 CO 0.49 -1.69 0.16 -0.98 0.70 0.00 0.00 175.22 173.90 2fdk s ARG 47 N -1.22 0.35 -0.66 0.44 3.03 -0.21 -4.87 118.95 115.80 2fdk s ARG 47 Ca 0.51 -0.07 -0.24 0.00 2.03 0.00 0.00 55.73 57.97 2fdk s ARG 47 Cb -0.38 0.15 0.06 0.00 -1.03 0.00 0.00 34.95 33.75 2fdk s ARG 47 CO 0.47 -0.07 1.02 -0.65 -1.13 0.00 0.00 175.30 174.93 2fdk s GLN 48 N -0.63 3.15 0.59 3.89 -0.21 -1.26 -1.46 119.66 123.73 2fdk s GLN 48 Ca -0.07 -0.65 -0.20 0.00 0.02 0.00 0.00 55.36 54.46 2fdk s GLN 48 Cb -0.04 -4.20 -0.03 0.00 1.00 0.00 0.00 33.01 29.74 2fdk s GLN 48 CO 0.01 -1.84 1.28 -1.64 -2.12 0.00 0.00 175.29 170.99 2fdk s MET 49 N 4.36 2.91 -0.28 2.91 -1.94 -1.26 -4.57 119.30 121.43 2fdk s MET 49 Ca 0.25 2.04 -0.13 0.00 -1.71 0.00 0.00 55.69 56.15 2fdk s MET 49 Cb -0.15 -2.02 -0.04 0.00 2.01 0.00 0.00 34.83 34.62 2fdk s MET 49 CO 0.12 -1.31 0.26 0.08 -0.01 0.00 0.00 175.02 174.17 2fdk s VAL 50 N -1.43 5.25 0.94 -6.03 1.01 -1.26 -1.56 120.40 117.34 2fdk s VAL 50 Ca 0.77 0.31 -0.10 0.00 0.00 0.00 0.00 61.98 62.95 2fdk s VAL 50 Cb -0.36 -3.61 0.16 0.00 0.00 0.00 0.00 36.38 32.58 2fdk s VAL 50 CO 0.40 0.20 1.12 0.42 0.00 0.00 0.00 175.10 177.24 2fdk s THR 51 N 1.88 2.15 0.51 3.92 -4.23 0.15 -4.77 115.64 115.26 2fdk s THR 51 Ca 0.10 0.05 0.20 0.00 -1.18 0.00 0.00 61.69 60.86 2fdk s THR 51 Cb -0.16 -2.11 0.34 0.00 1.34 0.00 0.00 72.50 71.90 2fdk s THR 51 CO 0.11 -0.06 2.06 -0.65 -0.54 0.00 0.00 174.62 175.53 2fdk h PRO 52 N -1.94 0.05 0.00 3.99 0.11 -1.88 0.22 132.00 132.55 2fdk h PRO 52 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2fdk h PRO 52 Cb 1.28 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2fdk h PRO 52 CO 0.44 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.67 2fdk n GLY 53 N -1.58 -0.87 1.26 -0.55 0.00 -1.26 -4.88 105.19 97.31 2fdk n GLY 53 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2fdk n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fdk n GLY 54 N 0.60 0.95 3.28 -0.02 0.00 0.77 -5.08 105.19 105.70 2fdk n GLY 54 Ca 0.16 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 2fdk n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fdk s TYR 55 N -2.05 2.15 -0.18 1.61 1.51 -1.24 -4.87 117.35 114.27 2fdk s TYR 55 Ca 0.00 -0.40 -0.25 0.00 -1.01 0.00 0.00 57.07 55.40 2fdk s TYR 55 Cb 0.00 -1.37 -0.01 0.00 -0.11 0.00 0.00 41.96 40.47 2fdk s TYR 55 CO 0.00 -0.02 0.84 0.99 -1.11 0.00 0.00 175.55 176.25 2fdk s THR 56 N -0.60 4.87 0.50 -0.71 2.01 -1.26 0.33 115.64 120.78 2fdk s THR 56 Ca 0.09 1.63 -0.22 0.00 0.31 0.00 0.00 61.69 63.51 2fdk s THR 56 Cb -0.09 -4.14 -0.07 0.00 0.01 0.00 0.00 72.50 68.22 2fdk s THR 56 CO -0.01 0.00 1.18 -0.04 -0.69 0.00 0.00 174.62 175.07 2fdk s MET 57 N 2.30 3.56 0.31 4.92 -1.94 -0.60 -4.93 119.30 122.92 2fdk s MET 57 Ca 0.38 1.78 0.17 0.00 -1.71 0.00 0.00 55.69 56.31 2fdk s MET 57 Cb -0.16 -2.27 0.22 0.00 2.01 0.00 0.00 34.83 34.63 2fdk s MET 57 CO 0.11 -0.72 1.52 0.66 -0.01 0.00 0.00 175.02 176.58 2fdk h SER 58 N 1.73 0.00 -3.51 3.03 4.64 -1.92 -3.43 113.55 114.09 2fdk h SER 58 Ca -0.50 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.29 2fdk h SER 58 Cb 1.26 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.32 2fdk h SER 58 CO 0.59 0.44 0.28 -0.69 -0.87 0.00 0.00 176.83 176.57 2fdk s VAL 59 N -3.10 4.59 -0.01 0.95 1.01 -1.26 -4.76 120.40 117.83 2fdk s VAL 59 Ca 0.03 1.89 -0.13 0.00 0.00 0.00 0.00 61.98 63.78 2fdk s VAL 59 Cb 0.08 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 2fdk s VAL 59 CO 0.72 0.34 0.36 0.00 0.00 0.00 0.00 175.10 176.52 2fdk s ALA 60 N -0.03 3.74 0.23 5.51 0.00 -0.72 -4.49 121.76 125.99 2fdk s ALA 60 Ca 0.43 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.08 2fdk s ALA 60 Cb -0.22 -2.29 -0.05 0.00 0.00 0.00 0.00 23.12 20.56 2fdk s ALA 60 CO 0.27 0.52 0.10 -1.64 0.00 0.00 0.00 175.76 175.01 2fdk s MET 61 N -1.22 1.31 0.21 0.00 -1.94 -0.54 0.07 119.30 117.20 2fdk s MET 61 Ca 0.24 -1.70 -0.22 0.00 -1.71 0.00 0.00 55.69 52.30 2fdk s MET 61 Cb -0.15 -0.11 0.06 0.00 2.01 0.00 0.00 34.83 36.64 2fdk s MET 61 CO 0.13 -0.30 0.95 -0.08 -0.01 0.00 0.00 175.02 175.70 2fdk s THR 62 N -3.86 0.00 0.07 2.05 -1.32 -0.73 -1.04 115.64 110.81 2fdk s THR 62 Ca 0.36 -0.71 -0.06 0.00 -1.21 0.00 0.00 61.69 60.08 2fdk s THR 62 Cb 0.07 -2.47 -0.02 0.00 -1.51 0.00 0.00 72.50 68.57 2fdk s THR 62 CO 0.12 0.00 0.10 0.20 -2.21 0.00 0.00 174.62 172.83 2fdk s ASN 63 N -3.14 0.26 0.07 8.08 0.01 -1.26 -0.81 114.94 118.14 2fdk s ASN 63 Ca 0.16 -0.75 -0.03 0.00 -0.71 0.00 0.00 52.86 51.53 2fdk s ASN 63 Cb -0.03 0.28 -0.03 0.00 0.41 0.00 0.00 41.25 41.88 2fdk s ASN 63 CO 0.05 -0.65 0.03 0.00 -1.51 0.00 0.00 177.10 175.02 2fdk n GLY 65 N 0.04 -1.90 0.19 0.00 0.00 0.24 -2.08 105.19 101.67 2fdk n GLY 65 Ca -0.13 -2.18 -0.11 0.00 0.00 0.00 0.00 46.02 43.60 2fdk n GLY 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2fdk h HIS 66 N 0.00 0.64 -3.25 1.61 3.86 -1.61 -3.42 115.15 112.96 2fdk h HIS 66 Ca 0.00 -0.11 -0.64 0.00 -1.16 0.00 0.00 60.37 58.46 2fdk h HIS 66 Cb 0.00 -0.17 -0.15 0.00 1.06 0.00 0.00 27.41 28.15 2fdk h HIS 66 CO 0.00 0.70 -0.74 -0.51 0.86 0.00 0.00 177.93 178.23 2fdk s LEU 67 N -9.46 2.92 -0.04 2.43 1.43 -0.16 -4.33 118.68 111.47 2fdk s LEU 67 Ca -0.13 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.43 2fdk s LEU 67 Cb 0.09 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.67 2fdk s LEU 67 CO 0.77 0.13 -0.04 -0.83 0.23 0.00 0.00 176.35 176.61 2fdk s GLY 68 N -2.57 0.42 0.22 -3.19 0.00 0.44 -4.26 107.32 98.37 2fdk s GLY 68 Ca 0.23 -0.06 -0.30 0.00 0.00 0.00 0.00 44.72 44.59 2fdk s GLY 68 CO 0.14 0.37 1.23 0.86 0.00 0.00 0.00 173.10 175.70 2fdk s TRP 69 N 0.79 3.35 0.18 1.90 -0.00 -1.26 -1.28 118.94 122.61 2fdk s TRP 69 Ca -0.10 1.39 -0.20 0.00 -0.00 0.00 0.00 56.10 57.18 2fdk s TRP 69 Cb -0.13 -3.50 0.04 0.00 -0.00 0.00 0.00 33.47 29.89 2fdk s TRP 69 CO 0.00 -1.42 0.56 -0.08 -0.00 0.00 0.00 176.95 176.01 2fdk s THR 70 N -0.24 0.02 0.07 5.86 -1.32 -0.42 -4.91 115.64 114.70 2fdk s THR 70 Ca 0.53 -0.46 -0.23 0.00 -1.21 0.00 0.00 61.69 60.31 2fdk s THR 70 Cb -0.35 -1.33 -0.06 0.00 -1.51 0.00 0.00 72.50 69.25 2fdk s THR 70 CO 0.39 -0.09 0.71 0.42 -2.21 0.00 0.00 174.62 173.84 2fdk s THR 71 N -3.82 4.67 0.46 5.08 -4.23 -1.26 -1.78 115.64 114.77 2fdk s THR 71 Ca 0.05 1.52 0.02 0.00 -1.18 0.00 0.00 61.69 62.10 2fdk s THR 71 Cb -0.01 -4.06 -0.02 0.00 1.34 0.00 0.00 72.50 69.75 2fdk s THR 71 CO -0.07 0.44 0.06 -2.28 -0.54 0.00 0.00 174.62 172.23 2fdk s HIS 72 N -0.50 1.83 0.19 3.99 5.04 0.46 -4.94 115.29 121.37 2fdk s HIS 72 Ca 0.35 -1.11 -0.01 0.00 -1.54 0.00 0.00 55.06 52.75 2fdk s HIS 72 Cb -0.21 -1.40 0.12 0.00 0.04 0.00 0.00 32.58 31.13 2fdk s HIS 72 CO 0.22 -0.02 1.48 0.00 -2.34 0.00 0.00 174.74 174.08 2fdk h ARG 73 N 1.56 0.41 -0.59 2.88 3.08 -1.95 -3.01 114.38 116.75 2fdk h ARG 73 Ca -0.40 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.35 2fdk h ARG 73 Cb 1.30 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.40 2fdk h ARG 73 CO 0.66 0.92 0.00 1.04 -1.07 0.00 0.00 179.97 181.52 2fdk n GLN 74 N -3.88 2.75 0.00 0.04 1.13 -1.26 -4.89 117.38 111.27 2fdk n GLN 74 Ca -0.04 -2.06 0.00 0.00 -1.94 0.00 0.00 57.00 52.97 2fdk n GLN 74 Cb 0.66 -1.62 0.00 0.00 0.11 0.00 0.00 30.24 29.39 2fdk n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2fdk n GLY 75 N 1.08 0.45 3.86 1.08 0.00 -1.14 -5.07 105.19 105.46 2fdk n GLY 75 Ca 0.19 -1.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.09 2fdk n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fdk s TYR 76 N -1.73 3.32 -0.02 1.61 2.02 -1.26 0.17 117.35 121.47 2fdk s TYR 76 Ca 0.00 0.08 -0.30 0.00 -0.37 0.00 0.00 57.07 56.48 2fdk s TYR 76 Cb 0.00 -1.62 0.11 0.00 -0.40 0.00 0.00 41.96 40.05 2fdk s TYR 76 CO 0.00 0.53 1.11 -0.48 -1.57 0.00 0.00 175.55 175.14 2fdk s LEU 77 N -2.94 -0.17 -0.06 -1.29 0.05 -0.73 -4.88 118.68 108.66 2fdk s LEU 77 Ca 0.32 -0.14 -0.11 0.00 0.05 0.00 0.00 54.13 54.25 2fdk s LEU 77 Cb -0.11 1.70 -0.05 0.00 -2.05 0.00 0.00 46.19 45.68 2fdk s LEU 77 CO 0.25 -0.49 0.28 -0.31 -0.55 0.00 0.00 176.35 175.53 2fdk s TYR 78 N -2.77 3.67 0.01 3.48 1.51 -1.26 -1.30 117.35 120.69 2fdk s TYR 78 Ca 0.11 0.77 0.00 0.00 -1.01 0.00 0.00 57.07 56.94 2fdk s TYR 78 Cb 0.01 -2.13 -0.01 0.00 -0.11 0.00 0.00 41.96 39.72 2fdk s TYR 78 CO -0.04 0.68 -0.03 0.45 -1.11 0.00 0.00 175.55 175.51 2fdk s SER 79 N -1.03 0.26 0.00 2.29 0.15 -0.41 -4.89 113.70 110.06 2fdk s SER 79 Ca 0.20 -0.27 0.30 0.00 0.70 0.00 0.00 55.95 56.87 2fdk s SER 79 Cb -0.14 0.04 1.43 0.00 -1.71 0.00 0.00 66.02 65.63 2fdk s SER 79 CO 0.09 -0.13 1.98 -0.81 1.20 0.00 0.00 173.24 175.56 2fdk n PRO 80 N 2.30 0.71 -5.25 5.44 -0.04 -1.26 -0.42 135.00 136.48 2fdk n PRO 80 Ca -0.18 -0.15 -0.30 0.00 -0.04 0.00 0.00 63.50 62.82 2fdk n PRO 80 Cb 0.57 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.37 2fdk n PRO 80 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2fdk s ILE 81 N -2.40 1.98 -0.39 0.52 -1.09 -1.26 -3.30 121.20 115.27 2fdk s ILE 81 Ca 0.33 -1.06 -0.29 0.00 -2.23 0.00 0.00 60.65 57.40 2fdk s ILE 81 Cb 0.20 -1.65 0.01 0.00 -1.58 0.00 0.00 42.46 39.45 2fdk s ILE 81 CO 0.45 0.56 1.24 -0.62 -1.23 0.00 0.00 174.94 175.34 2fdk s ASP 82 N -0.46 6.62 0.62 3.58 -1.08 0.14 -4.86 116.67 121.22 2fdk s ASP 82 Ca 0.06 0.86 0.41 0.00 -0.52 0.00 0.00 52.55 53.35 2fdk s ASP 82 Cb -0.11 -2.54 2.21 0.00 -1.46 0.00 0.00 42.92 41.02 2fdk s ASP 82 CO 0.00 -1.19 2.24 1.55 0.52 0.00 0.00 175.17 178.30 2fdk h PRO 83 N 9.43 0.00 0.13 4.34 0.13 -1.96 0.93 132.00 145.01 2fdk h PRO 83 Ca -0.25 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.56 2fdk h PRO 83 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2fdk h PRO 83 CO 1.08 0.00 -1.72 0.37 -0.23 0.00 0.00 178.00 177.49 2fdk h GLN 84 N 0.00 0.28 0.00 0.86 4.15 -1.94 -3.38 115.11 115.08 2fdk h GLN 84 Ca 0.00 -0.47 0.00 0.00 0.77 0.00 0.00 58.65 58.95 2fdk h GLN 84 Cb 0.05 0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.92 2fdk h GLN 84 CO 0.00 1.23 -1.40 0.25 -1.93 0.00 0.00 178.83 176.98 2fdk n THR 85 N -3.70 0.25 -1.25 2.39 -2.24 -1.06 -4.95 114.28 103.73 2fdk n THR 85 Ca -0.28 -0.44 -0.09 0.00 -2.27 0.00 0.00 64.05 60.97 2fdk n THR 85 Cb 0.99 -0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 69.15 2fdk n THR 85 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2fdk n ASN 86 N -2.31 -4.69 -4.62 3.42 5.03 0.32 -4.98 115.26 107.43 2fdk n ASN 86 Ca -0.01 0.21 -0.24 0.00 0.87 0.00 0.00 54.58 55.41 2fdk n ASN 86 Cb 0.52 -2.95 -0.08 0.00 -1.02 0.00 0.00 39.78 36.25 2fdk n ASN 86 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2fdk s LYS 87 N -2.48 2.09 0.72 3.52 1.02 -1.23 -4.84 119.74 118.55 2fdk s LYS 87 Ca 0.00 -1.68 -0.15 0.00 0.02 0.00 0.00 55.97 54.16 2fdk s LYS 87 Cb 0.00 -1.97 0.04 0.00 -0.52 0.00 0.00 37.83 35.38 2fdk s LYS 87 CO 0.00 0.20 1.21 -2.14 -0.92 0.00 0.00 175.35 173.70 2fdk s PRO 88 N -3.69 2.17 0.69 -1.68 0.02 -1.26 0.23 135.00 131.48 2fdk s PRO 88 Ca 0.34 1.77 -0.14 0.00 0.02 0.00 0.00 61.00 62.98 2fdk s PRO 88 Cb -0.02 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.68 2fdk s PRO 88 CO 0.19 -1.81 1.12 -1.58 -0.33 0.00 0.00 177.00 174.59 2fdk s TRP 89 N -1.96 2.51 0.76 6.54 0.52 -1.21 -4.64 118.94 121.47 2fdk s TRP 89 Ca 0.75 1.57 -0.14 0.00 0.02 0.00 0.00 56.10 58.29 2fdk s TRP 89 Cb -0.29 -3.20 0.06 0.00 -1.15 0.00 0.00 33.47 28.88 2fdk s TRP 89 CO 0.45 -1.86 1.19 -2.14 0.02 0.00 0.00 176.95 174.61 2fdk s PRO 90 N -4.17 1.96 0.73 4.98 0.02 -1.25 -4.64 135.00 132.62 2fdk s PRO 90 Ca 0.67 1.70 -0.12 0.00 0.02 0.00 0.00 61.00 63.27 2fdk s PRO 90 Cb -0.21 -1.82 0.04 0.00 0.02 0.00 0.00 34.50 32.52 2fdk s PRO 90 CO 0.44 -1.96 1.10 0.00 -0.33 0.00 0.00 177.00 176.25 2fdk s ALA 91 N -2.13 2.31 -0.22 -1.55 0.00 -1.26 0.79 121.76 119.70 2fdk s ALA 91 Ca 0.73 0.41 -0.29 0.00 0.00 0.00 0.00 51.96 52.81 2fdk s ALA 91 Cb -0.28 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2fdk s ALA 91 CO 0.48 -1.61 1.15 1.41 0.00 0.00 0.00 175.76 177.19 2fdk s MET 92 N -4.53 4.21 0.67 0.00 1.75 -1.26 -4.12 119.30 116.01 2fdk s MET 92 Ca 0.64 1.45 -0.17 0.00 -1.25 0.00 0.00 55.69 56.36 2fdk s MET 92 Cb -0.19 -3.72 0.00 0.00 2.84 0.00 0.00 34.83 33.76 2fdk s MET 92 CO 0.50 -0.72 1.23 -1.25 -0.65 0.00 0.00 175.02 174.12 2fdk s PRO 93 N 3.43 2.51 0.20 4.11 0.04 -1.26 -4.77 135.00 139.27 2fdk s PRO 93 Ca 0.49 1.85 -0.10 0.00 0.04 0.00 0.00 61.00 63.29 2fdk s PRO 93 Cb -0.18 -1.87 0.26 0.00 0.04 0.00 0.00 34.50 32.75 2fdk s PRO 93 CO 0.12 -1.57 1.75 0.37 0.04 0.00 0.00 177.00 177.70 2fdk h GLN 94 N 0.29 0.39 -0.93 4.56 4.15 -1.99 -0.38 115.11 121.20 2fdk h GLN 94 Ca -0.49 -0.02 0.19 0.00 0.77 0.00 0.00 58.65 59.10 2fdk h GLN 94 Cb 1.31 -0.09 -0.11 0.00 0.21 0.00 0.00 27.48 28.80 2fdk h GLN 94 CO 0.52 0.26 0.50 0.66 -1.93 0.00 0.00 178.83 178.84 2fdk h SER 95 N 0.40 0.58 0.18 -0.69 4.64 -1.97 0.25 113.55 116.95 2fdk h SER 95 Ca 0.29 0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.72 2fdk h SER 95 Cb 0.35 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2fdk h SER 95 CO -0.29 0.16 -0.09 -0.26 -0.87 0.00 0.00 176.83 175.49 2fdk h PHE 96 N 0.60 -0.23 -0.39 4.77 -1.00 -1.47 -2.34 116.94 116.89 2fdk h PHE 96 Ca 0.55 -0.01 0.07 0.00 2.81 0.00 0.00 57.97 61.39 2fdk h PHE 96 Cb 0.91 0.07 -0.06 0.00 3.61 0.00 0.00 35.95 40.48 2fdk h PHE 96 CO -0.07 0.11 0.01 0.45 -1.61 0.00 0.00 178.31 177.20 2fdk h HIS 97 N -0.58 -0.00 0.36 -0.55 3.86 -0.08 -1.74 115.15 116.41 2fdk h HIS 97 Ca -0.02 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 2fdk h HIS 97 Cb 0.44 0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.97 2fdk h HIS 97 CO 0.03 -0.07 -0.17 -0.91 0.86 0.00 0.00 177.93 177.67 2fdk h ASN 98 N 0.12 -0.41 -0.94 2.45 2.35 -0.59 -1.56 115.58 117.00 2fdk h ASN 98 Ca 0.19 -0.05 0.08 0.00 -0.55 0.00 0.00 56.30 55.97 2fdk h ASN 98 Cb 0.27 0.11 -0.07 0.00 0.05 0.00 0.00 38.32 38.68 2fdk h ASN 98 CO -0.31 -0.20 0.60 0.25 -1.65 0.00 0.00 177.43 176.11 2fdk h LEU 99 N -0.60 0.93 -0.07 1.61 7.12 -1.35 -0.65 115.31 122.31 2fdk h LEU 99 Ca -0.05 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 57.97 2fdk h LEU 99 Cb 0.44 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 40.39 2fdk h LEU 99 CO 0.08 0.57 0.00 0.00 -0.13 0.00 0.00 178.44 178.97 2fdk h GLN 101 N -0.16 0.56 -0.88 0.00 4.15 -0.94 0.16 115.11 118.00 2fdk h GLN 101 Ca 0.02 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 2fdk h GLN 101 Cb 0.32 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.85 2fdk h GLN 101 CO 0.00 0.41 0.52 0.00 -1.93 0.00 0.00 178.83 177.83 2fdk h ARG 102 N 0.55 1.20 0.35 1.69 3.08 -1.09 0.41 114.38 120.57 2fdk h ARG 102 Ca 0.15 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2fdk h ARG 102 Cb -0.01 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.79 2fdk h ARG 102 CO -0.03 0.85 -0.17 0.00 -1.07 0.00 0.00 179.97 179.55 2fdk h ALA 103 N 1.35 -0.47 -0.49 0.04 0.00 -0.67 -1.45 119.26 117.58 2fdk h ALA 103 Ca 0.31 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2fdk h ALA 103 Cb -0.03 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2fdk h ALA 103 CO -0.06 -0.61 0.22 0.00 0.00 0.00 0.00 179.25 178.80 2fdk h ALA 104 N -0.28 0.61 -0.52 0.00 0.00 -0.57 0.31 119.26 118.82 2fdk h ALA 104 Ca -0.05 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2fdk h ALA 104 Cb 0.52 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2fdk h ALA 104 CO 0.08 -0.16 0.28 1.15 0.00 0.00 0.00 179.25 180.60 2fdk h THR 105 N 0.42 0.99 0.00 0.00 2.02 -0.88 0.69 112.91 116.15 2fdk h THR 105 Ca 0.22 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 2fdk h THR 105 Cb 0.18 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2fdk h THR 105 CO -0.19 0.10 -0.18 0.00 0.37 0.00 0.00 175.52 175.62 2fdk h ALA 106 N 1.26 1.35 0.00 6.16 0.00 -0.29 -1.95 119.26 125.79 2fdk h ALA 106 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2fdk h ALA 106 Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2fdk h ALA 106 CO -0.14 0.22 -0.27 0.00 0.00 0.00 0.00 179.25 179.07 2fdk n ALA 107 N -2.35 2.88 0.00 0.00 0.00 0.01 -4.90 120.51 116.14 2fdk n ALA 107 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2fdk n ALA 107 Cb 0.28 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.43 2fdk n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fdk n GLY 108 N 1.47 1.08 2.59 0.00 0.00 -0.35 -4.99 105.19 104.99 2fdk n GLY 108 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 2fdk n GLY 108 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2fdk n TYR 109 N -1.16 3.41 0.54 1.61 4.02 0.23 -4.89 117.16 120.92 2fdk n TYR 109 Ca 0.00 -4.20 0.11 0.00 -0.01 0.00 0.00 57.90 53.80 2fdk n TYR 109 Cb 0.00 -0.57 0.44 0.00 -0.02 0.00 0.00 39.34 39.19 2fdk n TYR 109 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2fdk n PRO 110 N 1.28 0.13 0.01 -0.72 -0.04 -1.26 -2.98 135.00 131.41 2fdk n PRO 110 Ca 0.26 0.29 0.11 0.00 -0.04 0.00 0.00 63.50 64.12 2fdk n PRO 110 Cb 0.39 -1.71 0.03 0.00 -0.04 0.00 0.00 33.50 32.17 2fdk n PRO 110 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2fdk n ASP 111 N -1.95 0.71 -4.68 3.54 8.00 -1.26 -4.88 116.55 116.04 2fdk n ASP 111 Ca 0.04 -0.53 -0.47 0.00 0.71 0.00 0.00 54.79 54.54 2fdk n ASP 111 Cb 0.26 0.76 -0.04 0.00 -0.02 0.00 0.00 41.12 42.07 2fdk n ASP 111 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2fdk n PHE 112 N -1.65 2.34 -3.75 1.24 7.35 -1.16 -4.94 117.46 116.88 2fdk n PHE 112 Ca 0.04 0.03 -0.30 0.00 -0.76 0.00 0.00 57.45 56.46 2fdk n PHE 112 Cb 0.37 -2.65 -0.13 0.00 0.35 0.00 0.00 39.48 37.42 2fdk n PHE 112 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2fdk s GLN 113 N 3.32 1.42 0.51 -4.13 -1.52 -1.26 -4.91 119.66 113.09 2fdk s GLN 113 Ca 0.89 -2.13 -0.21 0.00 -1.95 0.00 0.00 55.36 51.95 2fdk s GLN 113 Cb -0.67 -2.51 -0.06 0.00 -0.22 0.00 0.00 33.01 29.55 2fdk s GLN 113 CO 0.48 -1.16 1.17 -1.25 -0.25 0.00 0.00 175.29 174.27 2fdk s PRO 114 N 0.21 3.52 -0.02 2.91 0.04 -1.26 -4.74 135.00 135.65 2fdk s PRO 114 Ca 0.18 1.75 0.03 0.00 0.04 0.00 0.00 61.00 63.00 2fdk s PRO 114 Cb -0.24 -2.22 0.05 0.00 0.04 0.00 0.00 34.50 32.14 2fdk s PRO 114 CO -0.00 -0.75 0.92 -0.40 0.04 0.00 0.00 177.00 176.81 2fdk n ASP 115 N -0.90 1.50 -3.67 6.66 5.68 -0.28 -4.96 116.55 120.59 2fdk n ASP 115 Ca 0.10 -1.97 -0.13 0.00 -0.50 0.00 0.00 54.79 52.28 2fdk n ASP 115 Cb 0.49 -0.09 -0.08 0.00 -1.14 0.00 0.00 41.12 40.30 2fdk n ASP 115 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2fdk s ALA 116 N -1.04 -1.51 -0.21 2.12 0.00 -1.03 -0.99 121.76 119.11 2fdk s ALA 116 Ca 0.06 1.76 -0.02 0.00 0.00 0.00 0.00 51.96 53.75 2fdk s ALA 116 Cb 0.05 -1.03 0.06 0.00 0.00 0.00 0.00 23.12 22.20 2fdk s ALA 116 CO 0.01 -0.29 0.02 0.00 0.00 0.00 0.00 175.76 175.49 2fdk s LEU 118 N 1.76 4.16 -0.28 0.00 2.96 -0.25 -2.59 118.68 124.44 2fdk s LEU 118 Ca -0.02 1.10 -0.08 0.00 -0.22 0.00 0.00 54.13 54.91 2fdk s LEU 118 Cb -0.17 -3.17 -0.01 0.00 0.50 0.00 0.00 46.19 43.34 2fdk s LEU 118 CO -0.08 -0.38 0.11 -0.63 -1.32 0.00 0.00 176.35 174.05 2fdk s ILE 119 N 2.16 4.44 -0.09 6.68 1.01 0.01 -1.17 121.20 134.23 2fdk s ILE 119 Ca 0.36 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.64 2fdk s ILE 119 Cb -0.16 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 2fdk s ILE 119 CO 0.12 0.18 0.04 0.20 0.00 0.00 0.00 174.94 175.48 2fdk s ASN 120 N 1.60 5.58 -0.11 3.58 0.02 -0.16 -1.77 114.94 123.68 2fdk s ASN 120 Ca 0.05 0.24 0.03 0.00 -1.02 0.00 0.00 52.86 52.16 2fdk s ASN 120 Cb -0.16 -1.65 0.01 0.00 0.02 0.00 0.00 41.25 39.47 2fdk s ASN 120 CO 0.05 0.38 -0.20 -0.60 0.02 0.00 0.00 177.10 176.75 2fdk s ARG 121 N -0.96 2.70 -0.22 -0.60 3.52 0.11 -0.99 118.95 122.51 2fdk s ARG 121 Ca 0.14 -0.75 -0.02 0.00 -0.13 0.00 0.00 55.73 54.97 2fdk s ARG 121 Cb -0.12 -2.14 0.01 0.00 -1.56 0.00 0.00 34.95 31.15 2fdk s ARG 121 CO 0.03 0.06 -0.09 0.71 -0.81 0.00 0.00 175.30 175.20 2fdk s TYR 122 N 0.65 2.96 0.54 5.12 1.51 0.12 -1.76 117.35 126.49 2fdk s TYR 122 Ca -0.13 -1.35 -0.03 0.00 -1.01 0.00 0.00 57.07 54.55 2fdk s TYR 122 Cb -0.16 -2.04 0.01 0.00 -0.11 0.00 0.00 41.96 39.65 2fdk s TYR 122 CO 0.03 -0.68 0.81 0.00 -1.11 0.00 0.00 175.55 174.60 2fdk s ALA 123 N 1.37 3.53 0.15 3.71 0.00 -1.26 -1.69 121.76 127.56 2fdk s ALA 123 Ca 0.03 -0.92 -0.34 0.00 0.00 0.00 0.00 51.96 50.73 2fdk s ALA 123 Cb -0.15 -2.37 -0.14 0.00 0.00 0.00 0.00 23.12 20.46 2fdk s ALA 123 CO -0.06 -0.68 1.55 -2.30 0.00 0.00 0.00 175.76 174.26 2fdk n PRO 124 N -2.40 2.01 0.00 0.00 -0.02 -1.26 -0.57 135.00 132.76 2fdk n PRO 124 Ca 0.04 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2fdk n PRO 124 Cb 0.58 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2fdk n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fdk n GLY 125 N 3.30 3.20 3.65 -1.23 0.00 0.60 -4.93 105.19 109.78 2fdk n GLY 125 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2fdk n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fdk n ALA 126 N -0.97 0.36 -3.32 4.61 0.00 0.27 -4.15 120.51 117.31 2fdk n ALA 126 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.30 2fdk n ALA 126 Cb 0.00 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 17.24 2fdk n ALA 126 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2fdk s LYS 127 N -3.08 1.79 -0.29 0.00 -2.85 -1.26 0.45 119.74 114.50 2fdk s LYS 127 Ca 0.78 -1.37 0.00 0.00 -1.00 0.00 0.00 55.97 54.38 2fdk s LYS 127 Cb -0.39 0.51 0.14 0.00 -2.06 0.00 0.00 37.83 36.03 2fdk s LYS 127 CO 0.45 -0.77 0.32 -1.17 0.10 0.00 0.00 175.35 174.28 2fdk s LEU 128 N -3.06 -0.34 0.86 2.77 2.96 -0.05 -4.10 118.68 117.72 2fdk s LEU 128 Ca 0.21 -0.71 -0.12 0.00 -0.22 0.00 0.00 54.13 53.30 2fdk s LEU 128 Cb -0.02 0.62 0.09 0.00 0.50 0.00 0.00 46.19 47.37 2fdk s LEU 128 CO 0.12 -0.38 0.99 -1.54 -1.32 0.00 0.00 176.35 174.22 2fdk n SER 129 N 5.30 0.09 -4.50 3.68 3.41 -1.26 -0.77 113.62 119.57 2fdk n SER 129 Ca -0.01 0.49 -0.45 0.00 -0.26 0.00 0.00 58.87 58.64 2fdk n SER 129 Cb 0.47 -1.42 -0.01 0.00 -0.26 0.00 0.00 64.21 62.98 2fdk n SER 129 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2fdk n LEU 130 N -3.02 0.40 -3.84 1.04 4.77 -1.25 -4.68 117.00 110.42 2fdk n LEU 130 Ca 0.12 1.08 -0.05 0.00 -0.03 0.00 0.00 56.01 57.13 2fdk n LEU 130 Cb 0.51 -1.14 0.01 0.00 -2.33 0.00 0.00 43.42 40.48 2fdk n LEU 130 CO 0.49 -2.29 0.70 -1.38 -1.33 0.00 0.00 177.39 173.58 2fdk s HIS 131 N -1.17 0.05 0.08 -1.77 -3.43 -0.40 -4.89 115.29 103.75 2fdk s HIS 131 Ca 0.61 -0.53 0.06 0.00 -0.80 0.00 0.00 55.06 54.40 2fdk s HIS 131 Cb -0.73 0.74 -0.03 0.00 -1.43 0.00 0.00 32.58 31.13 2fdk s HIS 131 CO 0.58 -1.12 -0.16 -0.65 -2.00 0.00 0.00 174.74 171.39 2fdk s GLN 132 N -2.42 0.88 -0.81 -0.38 -0.21 -1.26 -1.24 119.66 114.22 2fdk s GLN 132 Ca 0.18 -0.99 -0.08 0.00 0.02 0.00 0.00 55.36 54.49 2fdk s GLN 132 Cb -0.03 -0.95 0.21 0.00 1.00 0.00 0.00 33.01 33.24 2fdk s GLN 132 CO 0.07 0.21 0.71 -0.51 -2.12 0.00 0.00 175.29 173.65 2fdk s ASP 133 N -1.76 6.21 -0.27 5.90 1.11 -1.26 -4.82 116.67 121.78 2fdk s ASP 133 Ca -0.00 -3.03 0.13 0.00 0.18 0.00 0.00 52.55 49.82 2fdk s ASP 133 Cb -0.10 -2.05 0.48 0.00 1.07 0.00 0.00 42.92 42.32 2fdk s ASP 133 CO 0.03 -0.40 1.16 0.29 1.18 0.00 0.00 175.17 177.43 2fdk n LYS 134 N 3.38 2.82 -0.07 8.23 5.02 -1.26 -4.68 118.16 131.60 2fdk n LYS 134 Ca 0.14 -3.87 0.09 0.00 -2.02 0.00 0.00 58.31 52.65 2fdk n LYS 134 Cb 0.41 -1.98 0.11 0.00 -0.02 0.00 0.00 35.03 33.56 2fdk n LYS 134 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2fdk n ASP 135 N -0.66 2.71 -4.88 4.39 10.43 -1.26 -4.98 116.55 122.30 2fdk n ASP 135 Ca 0.30 -1.80 -0.33 0.00 2.57 0.00 0.00 54.79 55.53 2fdk n ASP 135 Cb 0.91 -0.09 -0.05 0.00 1.84 0.00 0.00 41.12 43.72 2fdk n ASP 135 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 2fdk s GLU 136 N -1.35 3.69 0.08 -1.24 8.01 -1.26 -4.84 118.70 121.79 2fdk s GLU 136 Ca 0.24 0.05 -0.24 0.00 0.01 0.00 0.00 54.97 55.04 2fdk s GLU 136 Cb 0.16 -2.91 -0.16 0.00 -4.31 0.00 0.00 34.13 26.91 2fdk s GLU 136 CO 0.23 0.51 1.69 -1.00 0.01 0.00 0.00 175.26 176.70 2fdk h PRO 137 N 3.26 -0.07 -4.73 0.39 0.13 -1.77 -3.40 132.00 125.80 2fdk h PRO 137 Ca -0.48 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.98 2fdk h PRO 137 Cb 1.18 0.02 -0.33 0.00 0.13 0.00 0.00 31.00 31.99 2fdk h PRO 137 CO 0.69 -0.01 -0.68 0.34 -0.23 0.00 0.00 178.00 178.11 2fdk s ASP 138 N -5.16 4.93 0.00 1.44 -1.08 -1.26 -4.97 116.67 110.57 2fdk s ASP 138 Ca -0.14 -1.40 0.21 0.00 -0.52 0.00 0.00 52.55 50.71 2fdk s ASP 138 Cb 0.05 -1.72 1.23 0.00 -1.46 0.00 0.00 42.92 41.02 2fdk s ASP 138 CO 0.66 -0.30 1.67 0.18 0.52 0.00 0.00 175.17 177.90 2fdk n LEU 139 N 4.61 0.00 0.22 -1.34 4.77 -1.26 -2.32 117.00 121.67 2fdk n LEU 139 Ca -0.11 0.07 0.12 0.00 -0.03 0.00 0.00 56.01 56.06 2fdk n LEU 139 Cb 0.43 -0.07 0.17 0.00 -2.33 0.00 0.00 43.42 41.62 2fdk n LEU 139 CO 0.27 -0.02 0.80 0.03 -1.33 0.00 0.00 177.39 177.14 2fdk h ARG 140 N 0.00 0.00 -6.67 3.23 3.08 -1.95 -3.44 114.38 108.63 2fdk h ARG 140 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 2fdk h ARG 140 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 2fdk h ARG 140 CO 0.00 0.00 0.43 0.00 -1.07 0.00 0.00 179.97 179.33 2fdk s ALA 141 N -3.21 3.34 0.91 0.04 0.00 -0.98 -4.77 121.76 117.09 2fdk s ALA 141 Ca 0.07 0.74 -0.13 0.00 0.00 0.00 0.00 51.96 52.64 2fdk s ALA 141 Cb 0.05 -3.31 0.18 0.00 0.00 0.00 0.00 23.12 20.04 2fdk s ALA 141 CO 0.67 -0.10 1.26 -1.25 0.00 0.00 0.00 175.76 176.34 2fdk s PRO 142 N -0.53 0.90 -0.05 0.00 0.04 -1.26 -4.97 135.00 129.13 2fdk s PRO 142 Ca 0.47 -0.49 0.03 0.00 0.04 0.00 0.00 61.00 61.05 2fdk s PRO 142 Cb -0.28 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2fdk s PRO 142 CO 0.34 -2.20 -0.14 0.42 0.04 0.00 0.00 177.00 175.46 2fdk s ILE 143 N -3.74 1.22 -0.23 0.56 1.01 -0.77 -4.57 121.20 114.67 2fdk s ILE 143 Ca 0.72 -0.57 -0.07 0.00 0.00 0.00 0.00 60.65 60.73 2fdk s ILE 143 Cb -0.05 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.31 2fdk s ILE 143 CO 0.51 0.37 0.06 -0.69 0.00 0.00 0.00 174.94 175.19 2fdk s VAL 144 N 0.33 4.38 -0.15 2.92 1.01 -0.90 0.11 120.40 128.09 2fdk s VAL 144 Ca -0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 2fdk s VAL 144 Cb -0.13 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 2fdk s VAL 144 CO 0.03 0.37 -0.07 -0.55 0.00 0.00 0.00 175.10 174.87 2fdk s SER 145 N 1.30 4.44 -0.18 3.32 0.15 -0.21 -0.60 113.70 121.91 2fdk s SER 145 Ca 0.05 -0.23 0.01 0.00 0.70 0.00 0.00 55.95 56.47 2fdk s SER 145 Cb -0.15 -1.71 0.04 0.00 -1.71 0.00 0.00 66.02 62.49 2fdk s SER 145 CO 0.03 0.15 -0.12 -0.69 1.20 0.00 0.00 173.24 173.81 2fdk s VAL 146 N 0.47 1.64 0.01 4.45 1.01 0.43 -0.69 120.40 127.72 2fdk s VAL 146 Ca -0.06 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.89 2fdk s VAL 146 Cb -0.15 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 2fdk s VAL 146 CO 0.03 0.26 0.37 -0.44 0.00 0.00 0.00 175.10 175.32 2fdk s SER 147 N 1.41 6.70 -0.01 3.32 0.01 0.51 -0.45 113.70 125.20 2fdk s SER 147 Ca 0.01 0.85 -0.02 0.00 1.31 0.00 0.00 55.95 58.09 2fdk s SER 147 Cb -0.15 -2.20 -0.00 0.00 0.21 0.00 0.00 66.02 63.87 2fdk s SER 147 CO -0.09 0.29 0.05 -0.76 0.41 0.00 0.00 173.24 173.14 2fdk s LEU 148 N -1.32 1.85 0.00 2.44 1.43 0.17 0.03 118.68 123.28 2fdk s LEU 148 Ca 0.25 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 2fdk s LEU 148 Cb -0.15 0.24 0.00 0.00 0.03 0.00 0.00 46.19 46.30 2fdk s LEU 148 CO 0.14 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.20 2fdk n GLY 149 N 2.55 0.34 3.69 -3.19 0.00 -1.26 -0.56 105.19 106.75 2fdk n GLY 149 Ca -0.16 -1.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 2fdk n GLY 149 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fdk n LEU 150 N 0.00 5.20 -4.79 0.99 4.77 -1.13 -3.57 117.00 118.46 2fdk n LEU 150 Ca 0.00 0.80 -0.35 0.00 -0.03 0.00 0.00 56.01 56.43 2fdk n LEU 150 Cb 0.00 -1.50 -0.05 0.00 -2.33 0.00 0.00 43.42 39.54 2fdk n LEU 150 CO 0.00 -1.34 0.70 -2.16 -1.33 0.00 0.00 177.39 173.27 2fdk s PRO 151 N -3.25 4.11 0.06 3.23 0.04 -1.26 -4.70 135.00 133.23 2fdk s PRO 151 Ca 0.80 1.37 0.01 0.00 0.04 0.00 0.00 61.00 63.22 2fdk s PRO 151 Cb -0.38 -2.36 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 2fdk s PRO 151 CO 0.43 -0.17 -0.06 0.00 0.04 0.00 0.00 177.00 177.24 2fdk s ALA 152 N -1.85 0.65 -0.40 8.56 0.00 -0.61 -4.58 121.76 123.52 2fdk s ALA 152 Ca 0.61 -1.05 -0.16 0.00 0.00 0.00 0.00 51.96 51.36 2fdk s ALA 152 Cb -0.17 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.11 2fdk s ALA 152 CO 0.22 -0.19 0.37 0.42 0.00 0.00 0.00 175.76 176.57 2fdk s ILE 153 N -2.76 5.17 -0.08 0.00 1.01 -1.26 -0.51 121.20 122.77 2fdk s ILE 153 Ca 0.01 -0.36 -0.18 0.00 0.00 0.00 0.00 60.65 60.12 2fdk s ILE 153 Cb -0.01 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 2fdk s ILE 153 CO -0.04 -0.30 0.49 0.12 0.00 0.00 0.00 174.94 175.21 2fdk s PHE 154 N 1.95 3.58 -0.06 3.97 5.36 0.11 -1.92 117.98 130.97 2fdk s PHE 154 Ca 0.09 0.97 0.04 0.00 -0.96 0.00 0.00 56.93 57.07 2fdk s PHE 154 Cb -0.18 -2.53 0.00 0.00 -0.34 0.00 0.00 43.02 39.98 2fdk s PHE 154 CO 0.12 0.27 -0.16 1.14 -1.46 0.00 0.00 175.22 175.13 2fdk s GLN 155 N 0.23 1.87 0.05 10.12 -2.07 0.06 -0.04 119.66 129.87 2fdk s GLN 155 Ca 0.27 -0.56 0.03 0.00 -1.82 0.00 0.00 55.36 53.28 2fdk s GLN 155 Cb -0.16 -1.56 -0.02 0.00 -1.09 0.00 0.00 33.01 30.17 2fdk s GLN 155 CO 0.12 0.16 -0.11 -0.59 -1.32 0.00 0.00 175.29 173.55 2fdk s PHE 156 N 0.29 0.90 0.00 9.60 -0.12 -0.74 -0.19 117.98 127.73 2fdk s PHE 156 Ca -0.09 -0.44 0.00 0.00 -0.05 0.00 0.00 56.93 56.35 2fdk s PHE 156 Cb -0.14 -0.53 0.00 0.00 -0.63 0.00 0.00 43.02 41.73 2fdk s PHE 156 CO 0.03 -0.02 0.00 0.41 -0.05 0.00 0.00 175.22 175.60 2fdk n GLY 157 N 1.55 5.23 0.00 1.99 0.00 0.68 -0.40 105.19 114.24 2fdk n GLY 157 Ca -0.21 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.23 2fdk n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fdk n GLY 158 N 4.74 0.45 0.06 -0.02 0.00 -1.26 -4.33 105.19 104.83 2fdk n GLY 158 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2fdk n GLY 158 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fdk n LEU 159 N 0.00 0.58 -4.50 0.99 4.32 -1.26 -2.60 117.00 114.52 2fdk n LEU 159 Ca 0.00 -0.60 -0.29 0.00 -0.02 0.00 0.00 56.01 55.10 2fdk n LEU 159 Cb 0.00 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.69 2fdk n LEU 159 CO 0.00 0.13 -0.48 -0.54 -1.22 0.00 0.00 177.39 175.28 2fdk s LYS 160 N -1.43 1.83 0.38 3.23 1.02 -1.26 -4.92 119.74 118.59 2fdk s LYS 160 Ca 0.04 -1.23 0.09 0.00 0.02 0.00 0.00 55.97 54.89 2fdk s LYS 160 Cb 0.05 -2.10 0.85 0.00 -0.52 0.00 0.00 37.83 36.11 2fdk s LYS 160 CO 0.24 0.46 1.95 0.00 -0.92 0.00 0.00 175.35 177.08 2fdk h ARG 161 N 3.49 0.61 -3.37 1.68 3.08 -2.01 -3.18 114.38 114.69 2fdk h ARG 161 Ca -0.49 -0.04 -0.77 0.00 0.07 0.00 0.00 59.98 58.75 2fdk h ARG 161 Cb 1.18 -0.14 -0.30 0.00 0.08 0.00 0.00 29.97 30.79 2fdk h ARG 161 CO 0.48 0.41 0.33 -1.71 -1.07 0.00 0.00 179.97 178.41 2fdk n ASN 162 N -4.49 5.25 -4.17 7.04 5.15 -1.26 -5.01 115.26 117.77 2fdk n ASN 162 Ca 0.12 -3.13 -0.11 0.00 -0.60 0.00 0.00 54.58 50.86 2fdk n ASN 162 Cb 0.32 -1.26 -0.10 0.00 -0.53 0.00 0.00 39.78 38.21 2fdk n ASN 162 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2fdk s ASP 163 N 0.39 1.07 -0.77 1.20 -0.00 -1.20 -5.05 116.67 112.31 2fdk s ASP 163 Ca 0.30 -1.04 -0.25 0.00 -0.00 0.00 0.00 52.55 51.57 2fdk s ASP 163 Cb -0.06 0.12 -0.17 0.00 -0.00 0.00 0.00 42.92 42.81 2fdk s ASP 163 CO -0.07 -0.50 2.45 -2.65 -0.00 0.00 0.00 175.17 174.40 2fdk n PRO 164 N -0.07 0.51 -2.74 8.23 -0.02 -1.26 -4.70 135.00 134.96 2fdk n PRO 164 Ca -0.11 -0.20 -0.41 0.00 -2.02 0.00 0.00 63.50 60.76 2fdk n PRO 164 Cb 0.61 -2.65 -0.05 0.00 -0.02 0.00 0.00 33.50 31.40 2fdk n PRO 164 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2fdk s LEU 165 N 10.16 4.52 0.16 2.45 1.43 -1.26 -4.51 118.68 131.63 2fdk s LEU 165 Ca 1.12 1.80 0.07 0.00 -1.03 0.00 0.00 54.13 56.09 2fdk s LEU 165 Cb -0.54 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.06 2fdk s LEU 165 CO 0.32 -0.04 0.03 -0.54 0.23 0.00 0.00 176.35 176.35 2fdk s LYS 166 N -0.14 2.52 0.00 1.70 1.02 0.47 -4.92 119.74 120.40 2fdk s LYS 166 Ca 0.46 -1.03 0.05 0.00 0.02 0.00 0.00 55.97 55.46 2fdk s LYS 166 Cb -0.24 -2.43 -0.03 0.00 -0.52 0.00 0.00 37.83 34.61 2fdk s LYS 166 CO 0.30 0.47 -0.13 1.03 -0.92 0.00 0.00 175.35 176.10 2fdk s ARG 167 N -2.92 2.38 -0.09 1.68 0.52 -1.26 -1.79 118.95 117.47 2fdk s ARG 167 Ca 0.28 -0.80 -0.04 0.00 -0.52 0.00 0.00 55.73 54.65 2fdk s ARG 167 Cb -0.10 -2.36 0.05 0.00 0.52 0.00 0.00 34.95 33.06 2fdk s ARG 167 CO 0.20 0.59 0.18 -0.51 0.02 0.00 0.00 175.30 175.77 2fdk s LEU 168 N -1.22 0.10 -0.01 2.53 1.43 0.94 -4.98 118.68 117.47 2fdk s LEU 168 Ca 0.15 0.38 -0.28 0.00 -1.03 0.00 0.00 54.13 53.34 2fdk s LEU 168 Cb -0.11 0.39 -0.04 0.00 0.03 0.00 0.00 46.19 46.47 2fdk s LEU 168 CO 0.05 -0.22 0.89 -0.22 0.23 0.00 0.00 176.35 177.08 2fdk s LEU 169 N 1.99 4.37 -0.25 1.79 2.96 -1.26 0.07 118.68 128.35 2fdk s LEU 169 Ca -0.01 1.54 -0.05 0.00 -0.22 0.00 0.00 54.13 55.39 2fdk s LEU 169 Cb -0.12 -3.43 0.00 0.00 0.50 0.00 0.00 46.19 43.15 2fdk s LEU 169 CO -0.06 -0.19 0.00 -0.76 -1.32 0.00 0.00 176.35 174.02 2fdk s LEU 170 N 0.82 3.28 0.49 -0.68 1.43 0.34 -4.94 118.68 119.42 2fdk s LEU 170 Ca 0.47 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 53.09 2fdk s LEU 170 Cb -0.20 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.25 2fdk s LEU 170 CO 0.25 -0.09 0.44 -1.61 0.23 0.00 0.00 176.35 175.57 2fdk s GLU 171 N 1.47 2.37 -0.09 1.70 2.02 -1.26 -1.58 118.70 123.33 2fdk s GLU 171 Ca 0.04 -1.77 -0.37 0.00 0.02 0.00 0.00 54.97 52.89 2fdk s GLU 171 Cb -0.16 -2.28 -0.14 0.00 0.10 0.00 0.00 34.13 31.66 2fdk s GLU 171 CO -0.01 -0.46 1.70 1.58 0.02 0.00 0.00 175.26 178.09 2fdk n HIS 172 N -1.72 2.09 -0.21 1.61 -0.00 -1.23 -1.04 115.22 114.71 2fdk n HIS 172 Ca 0.03 0.33 0.00 0.00 -0.00 0.00 0.00 57.72 58.08 2fdk n HIS 172 Cb 0.63 -2.52 0.00 0.00 -0.00 0.00 0.00 29.99 28.10 2fdk n HIS 172 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2fdk n GLY 173 N 3.88 1.17 3.74 1.57 0.00 0.10 -4.51 105.19 111.15 2fdk n GLY 173 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2fdk n GLY 173 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2fdk s ASP 174 N -2.99 6.99 -0.06 1.61 -0.00 -0.21 -0.72 116.67 121.28 2fdk s ASP 174 Ca 0.00 2.32 0.03 0.00 -0.00 0.00 0.00 52.55 54.91 2fdk s ASP 174 Cb 0.00 -2.61 0.01 0.00 -0.00 0.00 0.00 42.92 40.32 2fdk s ASP 174 CO 0.00 -0.45 -0.16 -0.69 -0.00 0.00 0.00 175.17 173.87 2fdk s VAL 175 N 0.02 1.39 -0.12 -1.27 1.01 -0.55 -0.36 120.40 120.51 2fdk s VAL 175 Ca 0.55 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2fdk s VAL 175 Cb -0.35 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 34.83 2fdk s VAL 175 CO 0.38 0.41 -0.10 -0.69 0.00 0.00 0.00 175.10 175.09 2fdk s VAL 176 N 0.39 1.20 -0.42 2.92 1.01 0.13 0.92 120.40 126.56 2fdk s VAL 176 Ca -0.12 -0.41 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 2fdk s VAL 176 Cb -0.15 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.08 2fdk s VAL 176 CO 0.04 0.39 0.53 -0.69 0.00 0.00 0.00 175.10 175.37 2fdk s VAL 177 N 1.53 4.98 -0.54 2.92 1.01 -0.15 -1.04 120.40 129.10 2fdk s VAL 177 Ca 0.03 -0.08 -0.20 0.00 0.00 0.00 0.00 61.98 61.73 2fdk s VAL 177 Cb -0.13 -4.09 0.06 0.00 0.00 0.00 0.00 36.38 32.22 2fdk s VAL 177 CO -0.08 -0.46 0.74 0.26 0.00 0.00 0.00 175.10 175.56 2fdk s TRP 178 N 2.44 2.95 0.23 5.22 0.52 0.12 -1.46 118.94 128.96 2fdk s TRP 178 Ca 0.17 -0.49 0.01 0.00 0.02 0.00 0.00 56.10 55.82 2fdk s TRP 178 Cb -0.16 -3.79 -0.00 0.00 -1.15 0.00 0.00 33.47 28.36 2fdk s TRP 178 CO 0.16 -1.20 0.05 0.41 0.02 0.00 0.00 176.95 176.38 2fdk n GLY 179 N 5.19 3.73 7.00 0.98 0.00 -1.23 -1.85 105.19 119.02 2fdk n GLY 179 Ca -0.05 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.84 2fdk n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fdk n GLY 180 N 1.13 2.77 0.12 -0.02 0.00 -1.26 -3.23 105.19 104.70 2fdk n GLY 180 Ca -0.06 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 2fdk n GLY 180 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2fdk h GLU 181 N 0.00 0.28 -1.49 1.61 4.81 -1.92 -2.96 114.58 114.92 2fdk h GLU 181 Ca 0.00 -0.07 0.43 0.00 -0.13 0.00 0.00 59.36 59.59 2fdk h GLU 181 Cb 0.00 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.28 2fdk h GLU 181 CO 0.00 0.42 1.08 0.66 -0.73 0.00 0.00 179.01 180.44 2fdk h SER 182 N 0.09 0.00 -0.17 1.04 4.64 -1.34 0.23 113.55 118.04 2fdk h SER 182 Ca 0.05 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.42 2fdk h SER 182 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2fdk h SER 182 CO 0.00 0.00 0.35 -0.09 -0.87 0.00 0.00 176.83 176.22 2fdk h ARG 183 N 0.00 0.00 -0.02 4.77 9.65 -1.53 0.29 114.38 127.54 2fdk h ARG 183 Ca 0.71 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.59 2fdk h ARG 183 Cb 2.86 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 31.44 2fdk h ARG 183 CO -0.01 0.00 -0.01 1.28 2.80 0.00 0.00 179.97 184.03 2fdk n LEU 184 N -3.30 2.16 -4.77 3.80 4.77 0.81 -4.65 117.00 115.82 2fdk n LEU 184 Ca 0.02 -0.99 -0.38 0.00 -0.03 0.00 0.00 56.01 54.63 2fdk n LEU 184 Cb 0.45 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 2fdk n LEU 184 CO 0.20 0.39 0.82 -0.36 -1.33 0.00 0.00 177.39 177.11 2fdk s PHE 185 N -1.20 3.05 0.46 -1.77 2.99 0.09 -4.79 117.98 116.80 2fdk s PHE 185 Ca 0.16 1.57 -0.23 0.00 0.00 0.00 0.00 56.93 58.43 2fdk s PHE 185 Cb 0.12 -3.34 -0.08 0.00 0.00 0.00 0.00 43.02 39.73 2fdk s PHE 185 CO 0.18 -1.24 1.15 0.71 -0.00 0.00 0.00 175.22 176.02 2fdk s TYR 186 N -1.50 2.92 0.17 0.36 2.02 -1.07 -4.75 117.35 115.49 2fdk s TYR 186 Ca 0.59 1.55 -0.19 0.00 -0.37 0.00 0.00 57.07 58.65 2fdk s TYR 186 Cb -0.28 -3.34 0.04 0.00 -0.40 0.00 0.00 41.96 37.98 2fdk s TYR 186 CO 0.35 -1.39 0.52 -3.38 -1.57 0.00 0.00 175.55 170.08 2fdk s HIS 187 N -1.58 -0.27 0.11 2.71 -3.43 -0.37 -0.23 115.29 112.23 2fdk s HIS 187 Ca 0.63 -0.03 -0.25 0.00 -0.80 0.00 0.00 55.06 54.61 2fdk s HIS 187 Cb -0.27 0.42 0.08 0.00 -1.43 0.00 0.00 32.58 31.38 2fdk s HIS 187 CO 0.33 -0.85 1.12 0.20 -2.00 0.00 0.00 174.74 173.54 2fdk s GLY 188 N -2.82 -0.04 -0.10 -1.38 0.00 0.73 -1.28 107.32 102.43 2fdk s GLY 188 Ca 0.05 -0.08 0.02 0.00 0.00 0.00 0.00 44.72 44.71 2fdk s GLY 188 CO -0.08 2.75 -0.17 -0.42 0.00 0.00 0.00 173.10 175.18 2fdk s ILE 189 N -2.27 1.60 0.63 0.90 -1.09 0.05 -0.76 121.20 120.26 2fdk s ILE 189 Ca 0.22 -0.72 -0.14 0.00 -2.23 0.00 0.00 60.65 57.78 2fdk s ILE 189 Cb -0.01 -1.44 -0.02 0.00 -1.58 0.00 0.00 42.46 39.41 2fdk s ILE 189 CO 0.02 0.46 1.06 -1.10 -1.23 0.00 0.00 174.94 174.16 2fdk s GLN 190 N 0.82 3.13 -0.31 2.79 -0.21 -0.81 -0.87 119.66 124.21 2fdk s GLN 190 Ca -0.10 1.17 -0.43 0.00 0.02 0.00 0.00 55.36 56.03 2fdk s GLN 190 Cb -0.16 -2.01 -0.18 0.00 1.00 0.00 0.00 33.01 31.66 2fdk s GLN 190 CO 0.01 -0.96 1.55 -2.30 -2.12 0.00 0.00 175.29 171.47 2fdk n PRO 191 N -2.37 0.47 -1.74 2.91 -0.02 -1.25 -4.60 135.00 128.39 2fdk n PRO 191 Ca 0.09 0.17 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 2fdk n PRO 191 Cb 0.53 -1.74 -0.03 0.00 -0.02 0.00 0.00 33.50 32.24 2fdk n PRO 191 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2fdk s LEU 192 N 2.53 4.41 0.47 2.45 2.96 0.17 -4.77 118.68 126.90 2fdk s LEU 192 Ca 0.99 2.59 -0.22 0.00 -0.22 0.00 0.00 54.13 57.27 2fdk s LEU 192 Cb -1.28 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 41.80 2fdk s LEU 192 CO 0.70 -1.02 1.14 -0.54 -1.32 0.00 0.00 176.35 175.31 2fdk s LYS 193 N 4.21 3.73 0.57 1.98 1.02 -1.26 -0.29 119.74 129.70 2fdk s LYS 193 Ca 0.85 1.69 -0.20 0.00 0.02 0.00 0.00 55.97 58.33 2fdk s LYS 193 Cb -0.41 -2.33 -0.04 0.00 -0.52 0.00 0.00 37.83 34.53 2fdk s LYS 193 CO 0.39 -0.56 1.24 0.00 -0.92 0.00 0.00 175.35 175.50 2fdk s ALA 194 N -1.62 2.64 0.00 5.17 0.00 -1.26 -4.82 121.76 121.86 2fdk s ALA 194 Ca 0.65 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.70 2fdk s ALA 194 Cb -0.26 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2fdk s ALA 194 CO 0.32 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.29 2fdk n GLY 195 N 0.59 -1.02 3.13 0.00 0.00 -1.26 -5.12 105.19 101.52 2fdk n GLY 195 Ca 0.12 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 2fdk n GLY 195 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2fdk s PHE 196 N -3.00 -0.22 -0.02 1.61 5.36 -1.26 -4.52 117.98 115.93 2fdk s PHE 196 Ca 0.00 0.52 0.00 0.00 -0.96 0.00 0.00 56.93 56.49 2fdk s PHE 196 Cb 0.00 0.07 0.02 0.00 -0.34 0.00 0.00 43.02 42.78 2fdk s PHE 196 CO 0.00 -0.16 0.01 -1.58 -1.46 0.00 0.00 175.22 172.02 2fdk s HIS 197 N -0.16 0.21 0.50 10.12 5.65 0.21 -4.94 115.29 126.89 2fdk s HIS 197 Ca -0.03 0.03 0.28 0.00 0.25 0.00 0.00 55.06 55.59 2fdk s HIS 197 Cb -0.03 -0.31 1.37 0.00 -1.18 0.00 0.00 32.58 32.44 2fdk s HIS 197 CO 0.01 -0.10 1.87 -1.35 -0.65 0.00 0.00 174.74 174.53 2fdk h PRO 198 N 7.08 0.11 0.00 2.88 0.11 -1.90 0.97 132.00 141.24 2fdk h PRO 198 Ca -0.41 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.47 2fdk h PRO 198 Cb 1.14 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 2fdk h PRO 198 CO 0.48 0.07 -1.84 1.28 -0.21 0.00 0.00 178.00 177.79 2fdk n LEU 199 N -4.34 0.47 -0.08 2.35 4.77 -1.26 -4.49 117.00 114.42 2fdk n LEU 199 Ca 0.19 0.21 0.01 0.00 -0.03 0.00 0.00 56.01 56.40 2fdk n LEU 199 Cb 0.90 0.21 0.01 0.00 -2.33 0.00 0.00 43.42 42.20 2fdk n LEU 199 CO 0.36 0.26 0.23 0.35 -1.33 0.00 0.00 177.39 177.27 2fdk n THR 200 N -2.77 0.00 0.00 -5.08 -2.24 -1.05 -5.07 114.28 98.07 2fdk n THR 200 Ca -0.17 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 2fdk n THR 200 Cb 0.93 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 70.20 2fdk n THR 200 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2fdk n ILE 201 N -0.09 0.00 -1.50 2.28 2.08 0.33 -2.18 119.36 120.28 2fdk n ILE 201 Ca 0.01 0.00 0.05 0.00 0.56 0.00 0.00 62.75 63.38 2fdk n ILE 201 Cb 0.06 0.00 0.20 0.00 -0.75 0.00 0.00 39.64 39.15 2fdk n ILE 201 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2fdk n ASP 202 N 9.10 1.91 -4.46 4.38 3.85 -1.26 0.68 116.55 130.76 2fdk n ASP 202 Ca 0.00 -3.77 -0.23 0.00 -0.71 0.00 0.00 54.79 50.07 2fdk n ASP 202 Cb 0.00 -0.53 -0.10 0.00 -1.35 0.00 0.00 41.12 39.14 2fdk n ASP 202 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2fdk s ARG 204 N -3.54 1.82 0.20 0.00 3.52 -0.68 -2.83 118.95 117.43 2fdk s ARG 204 Ca 0.29 -0.53 0.09 0.00 -0.13 0.00 0.00 55.73 55.45 2fdk s ARG 204 Cb -0.04 -1.52 -0.04 0.00 -1.56 0.00 0.00 34.95 31.79 2fdk s ARG 204 CO 0.14 0.13 -0.07 0.71 -0.81 0.00 0.00 175.30 175.40 2fdk s TYR 205 N 0.36 2.66 -0.11 5.12 1.51 0.27 0.14 117.35 127.31 2fdk s TYR 205 Ca -0.10 -0.21 -0.06 0.00 -1.01 0.00 0.00 57.07 55.69 2fdk s TYR 205 Cb -0.14 -1.27 0.05 0.00 -0.11 0.00 0.00 41.96 40.49 2fdk s TYR 205 CO 0.03 0.54 0.27 1.21 -1.11 0.00 0.00 175.55 176.49 2fdk s ASN 206 N -3.04 -0.27 -0.16 2.29 3.84 -0.16 -0.66 114.94 116.78 2fdk s ASN 206 Ca 0.27 0.57 -0.05 0.00 0.21 0.00 0.00 52.86 53.85 2fdk s ASN 206 Cb -0.08 0.46 -0.03 0.00 -0.55 0.00 0.00 41.25 41.04 2fdk s ASN 206 CO 0.17 -0.17 0.01 -0.76 -2.79 0.00 0.00 177.10 173.55 2fdk s LEU 207 N 1.32 3.52 -0.26 3.21 1.43 0.40 -0.99 118.68 127.31 2fdk s LEU 207 Ca -0.09 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 2fdk s LEU 207 Cb -0.10 -1.86 0.07 0.00 0.03 0.00 0.00 46.19 44.32 2fdk s LEU 207 CO -0.09 0.19 -0.04 0.42 0.23 0.00 0.00 176.35 177.06 2fdk s THR 208 N 0.25 1.76 -0.05 5.49 -4.23 -0.32 -0.43 115.64 118.11 2fdk s THR 208 Ca 0.00 -1.52 -0.23 0.00 -1.18 0.00 0.00 61.69 58.76 2fdk s THR 208 Cb -0.13 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.61 2fdk s THR 208 CO 0.02 -0.21 0.67 -0.36 -0.54 0.00 0.00 174.62 174.20 2fdk s PHE 209 N 1.26 3.60 0.07 3.99 0.40 0.24 -1.09 117.98 126.45 2fdk s PHE 209 Ca -0.03 1.23 -0.00 0.00 -0.60 0.00 0.00 56.93 57.53 2fdk s PHE 209 Cb -0.19 -2.76 -0.04 0.00 0.51 0.00 0.00 43.02 40.54 2fdk s PHE 209 CO -0.08 0.15 -0.03 1.03 0.70 0.00 0.00 175.22 176.99 2fdk s ARG 210 N 0.57 0.71 -0.75 0.44 3.00 0.19 -2.13 118.95 120.99 2fdk s ARG 210 Ca 0.36 -1.28 -0.11 0.00 0.00 0.00 0.00 55.73 54.70 2fdk s ARG 210 Cb -0.18 0.08 0.20 0.00 0.00 0.00 0.00 34.95 35.05 2fdk s ARG 210 CO 0.18 -0.09 0.65 -0.65 0.00 0.00 0.00 175.30 175.39 2fdk s GLN 211 N -3.90 3.26 0.05 3.54 -0.21 -1.26 -1.12 119.66 120.02 2fdk s GLN 211 Ca 0.10 -2.42 0.17 0.00 0.02 0.00 0.00 55.36 53.23 2fdk s GLN 211 Cb 0.07 -4.22 -0.14 0.00 1.00 0.00 0.00 33.01 29.72 2fdk s GLN 211 CO -0.07 -1.26 0.80 0.00 -2.12 0.00 0.00 175.29 172.64 2fdk n ALA 212 N 3.93 1.94 -1.24 6.09 0.00 -1.26 -4.43 120.51 125.53 2fdk n ALA 212 Ca 0.10 -0.56 -0.32 0.00 0.00 0.00 0.00 53.44 52.66 2fdk n ALA 212 Cb 0.44 -0.94 0.10 0.00 0.00 0.00 0.00 19.45 19.04 2fdk n ALA 212 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2fdk s GLY 213 N -4.80 1.99 0.00 0.00 0.00 -1.26 -4.37 107.32 98.88 2fdk s GLY 213 Ca -0.03 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.27 2fdk s GLY 213 CO 0.81 0.96 0.00 0.58 0.00 0.00 0.00 173.10 175.45