#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfl n GLY 2 N 0.00 -0.90 0.30 0.00 0.00 -1.26 -4.95 105.19 98.37 1pfl n GLY 2 Ca 0.00 0.44 0.10 0.00 0.00 0.00 0.00 46.02 46.56 1pfl n GLY 2 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1pfl h TRP 3 N 0.00 0.48 -0.14 1.61 -0.00 -2.00 -0.35 115.95 115.55 1pfl h TRP 3 Ca 0.00 0.04 0.04 0.00 -0.00 0.00 0.00 58.89 58.97 1pfl h TRP 3 Cb 0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 29.16 29.07 1pfl h TRP 3 CO 0.00 -0.06 0.11 -0.91 -0.00 0.00 0.00 178.44 177.58 1pfl h ASN 4 N 0.35 0.00 0.22 -3.49 2.35 -1.93 0.01 115.58 113.08 1pfl h ASN 4 Ca 0.49 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 56.05 1pfl h ASN 4 Cb 0.89 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.26 1pfl h ASN 4 CO -0.52 0.00 -0.75 0.00 -1.65 0.00 0.00 177.43 174.50 1pfl h ALA 5 N 1.92 0.54 0.00 -0.83 0.00 -1.43 0.19 119.26 119.65 1pfl h ALA 5 Ca 0.07 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1pfl h ALA 5 Cb 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1pfl h ALA 5 CO -0.00 0.76 0.00 0.66 0.00 0.00 0.00 179.25 180.67 1pfl n TYR 6 N -3.84 0.09 -0.02 0.00 4.01 -0.11 -0.58 117.16 116.71 1pfl n TYR 6 Ca -0.05 0.03 -0.07 0.00 -0.16 0.00 0.00 57.90 57.65 1pfl n TYR 6 Cb 0.72 -0.55 -0.13 0.00 -0.31 0.00 0.00 39.34 39.07 1pfl n TYR 6 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1pfl n ILE 7 N -1.58 1.50 0.32 -0.72 2.08 -0.63 -3.55 119.36 116.78 1pfl n ILE 7 Ca 0.04 -0.78 0.20 0.00 0.56 0.00 0.00 62.75 62.77 1pfl n ILE 7 Cb 0.22 -0.92 1.09 0.00 -0.75 0.00 0.00 39.64 39.28 1pfl n ILE 7 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1pfl h ASP 8 N 0.00 0.00 -0.72 4.38 3.32 0.18 -0.49 116.42 123.10 1pfl h ASP 8 Ca -0.28 0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.86 1pfl h ASP 8 Cb 1.95 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 41.43 1pfl h ASP 8 CO 0.07 0.00 0.36 -1.13 -1.72 0.00 0.00 179.24 176.82 1pfl h ASN 9 N 0.00 0.47 1.28 6.45 -1.24 -1.49 0.23 115.58 121.29 1pfl h ASN 9 Ca 0.00 0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.05 1pfl h ASN 9 Cb 0.03 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 1pfl h ASN 9 CO -0.00 0.27 -0.13 -0.07 -1.29 0.00 0.00 177.43 176.21 1pfl h LEU 10 N 0.61 0.00 0.00 0.34 -0.00 -1.29 -2.35 115.31 112.62 1pfl h LEU 10 Ca 0.35 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 58.17 1pfl h LEU 10 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.01 1pfl h LEU 10 CO -0.27 0.13 -1.47 0.23 -0.00 0.00 0.00 178.44 177.06 1pfl n MET 11 N -3.20 0.63 -0.07 1.13 2.81 -0.45 -4.43 117.12 113.53 1pfl n MET 11 Ca 0.01 0.04 -0.11 0.00 -1.81 0.00 0.00 57.70 55.84 1pfl n MET 11 Cb 0.45 -1.72 -0.08 0.00 -0.71 0.00 0.00 33.22 31.17 1pfl n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pfl h ALA 12 N 1.81 0.05 0.00 3.04 0.00 -0.26 -3.41 119.26 120.49 1pfl h ALA 12 Ca -0.07 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1pfl h ALA 12 Cb 1.21 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1pfl h ALA 12 CO 0.01 0.21 0.00 -0.40 0.00 0.00 0.00 179.25 179.07 1pfl n ASP 13 N -4.62 0.00 -0.43 0.00 5.75 -0.92 -4.90 116.55 111.43 1pfl n ASP 13 Ca -0.12 -0.29 -0.01 0.00 -0.01 0.00 0.00 54.79 54.36 1pfl n ASP 13 Cb 0.37 -0.03 -0.00 0.00 -1.03 0.00 0.00 41.12 40.43 1pfl n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pfl n GLY 14 N -0.33 0.10 0.21 6.12 0.00 -1.26 -4.25 105.19 105.78 1pfl n GLY 14 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1pfl n GLY 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pfl n THR 15 N -0.62 0.00 -2.14 2.61 -1.04 -1.26 -4.90 114.28 106.93 1pfl n THR 15 Ca -0.01 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.62 1pfl n THR 15 Cb 0.07 -0.71 -0.00 0.00 -1.82 0.00 0.00 70.33 67.87 1pfl n THR 15 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pfl n GLN 17 N -0.39 0.00 -3.43 0.00 0.00 -0.44 -4.63 117.38 108.48 1pfl n GLN 17 Ca 0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 57.00 56.94 1pfl n GLN 17 Cb 0.46 -0.65 -0.05 0.00 0.00 0.00 0.00 30.24 30.00 1pfl n GLN 17 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1pfl n ASP 18 N -2.07 -0.32 -3.62 1.69 2.03 -1.00 -4.92 116.55 108.34 1pfl n ASP 18 Ca 0.00 -2.40 -0.08 0.00 0.52 0.00 0.00 54.79 52.83 1pfl n ASP 18 Cb 0.23 1.03 -0.06 0.00 -0.72 0.00 0.00 41.12 41.60 1pfl n ASP 18 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pfl s ALA 19 N -2.85 -2.01 -0.24 -1.67 0.00 -1.26 -0.85 121.76 112.87 1pfl s ALA 19 Ca 0.24 1.76 -0.03 0.00 0.00 0.00 0.00 51.96 53.93 1pfl s ALA 19 Cb 0.01 -1.30 0.10 0.00 0.00 0.00 0.00 23.12 21.94 1pfl s ALA 19 CO 0.17 -0.23 0.21 0.00 0.00 0.00 0.00 175.76 175.91 1pfl s ALA 20 N -0.28 -0.10 -0.25 0.00 0.00 -0.80 -2.00 121.76 118.33 1pfl s ALA 20 Ca 0.03 -0.19 -0.23 0.00 0.00 0.00 0.00 51.96 51.57 1pfl s ALA 20 Cb -0.03 -1.44 -0.01 0.00 0.00 0.00 0.00 23.12 21.64 1pfl s ALA 20 CO -0.06 -1.42 0.74 0.42 0.00 0.00 0.00 175.76 175.44 1pfl s ILE 21 N 2.28 4.90 -0.18 0.00 1.01 -0.89 -0.16 121.20 128.15 1pfl s ILE 21 Ca 0.07 1.36 0.00 0.00 0.00 0.00 0.00 60.65 62.08 1pfl s ILE 21 Cb -0.15 -4.04 0.04 0.00 0.01 0.00 0.00 42.46 38.32 1pfl s ILE 21 CO -0.22 -0.04 -0.07 -0.69 0.00 0.00 0.00 174.94 173.92 1pfl s VAL 22 N 2.71 1.31 -0.98 2.92 1.01 -0.41 -0.17 120.40 126.80 1pfl s VAL 22 Ca 0.31 -0.80 -0.25 0.00 0.00 0.00 0.00 61.98 61.24 1pfl s VAL 22 Cb -0.15 -1.47 -0.10 0.00 0.00 0.00 0.00 36.38 34.66 1pfl s VAL 22 CO 0.08 0.12 2.06 -0.83 0.00 0.00 0.00 175.10 176.54 1pfl s GLY 23 N 1.54 -0.21 -0.12 4.51 0.00 0.14 -1.45 107.32 111.72 1pfl s GLY 23 Ca -0.00 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.20 1pfl s GLY 23 CO -0.08 3.77 1.50 1.58 0.00 0.00 0.00 173.10 179.87 1pfl n TYR 24 N 15.86 0.70 0.00 1.90 4.11 -1.26 -1.10 117.16 137.37 1pfl n TYR 24 Ca 0.43 -1.04 0.00 0.00 -0.00 0.00 0.00 57.90 57.29 1pfl n TYR 24 Cb 0.46 -0.52 0.00 0.00 -0.00 0.00 0.00 39.34 39.28 1pfl n TYR 24 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1pfl n LYS 25 N 0.44 1.83 -0.32 -3.48 4.01 -1.26 -4.74 118.16 114.63 1pfl n LYS 25 Ca 0.14 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.82 1pfl n LYS 25 Cb 0.68 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 35.11 1pfl n LYS 25 CO 0.00 0.00 0.00 0.38 -1.11 0.00 0.00 177.40 176.67 1pfl h ASP 26 N 0.00 -2.02 -3.40 4.39 2.03 -2.00 -3.33 116.42 112.09 1pfl h ASP 26 Ca 0.00 0.30 -0.63 0.00 -0.73 0.00 0.00 57.03 55.97 1pfl h ASP 26 Cb 0.00 0.88 -0.18 0.00 -0.83 0.00 0.00 39.33 39.20 1pfl h ASP 26 CO 0.00 -0.29 -0.59 -0.94 -1.03 0.00 0.00 179.24 176.39 1pfl s SER 27 N -5.34 5.41 0.42 4.15 1.04 -1.26 -5.07 113.70 113.05 1pfl s SER 27 Ca -0.13 -0.02 -0.17 0.00 0.48 0.00 0.00 55.95 56.12 1pfl s SER 27 Cb 0.11 -1.93 -0.09 0.00 0.10 0.00 0.00 66.02 64.20 1pfl s SER 27 CO 0.62 0.12 0.88 -2.16 0.98 0.00 0.00 173.24 173.68 1pfl s PRO 28 N 0.70 4.03 0.08 4.02 0.04 -1.25 -4.71 135.00 137.91 1pfl s PRO 28 Ca 0.03 0.87 -0.18 0.00 0.04 0.00 0.00 61.00 61.75 1pfl s PRO 28 Cb -0.13 -2.26 0.04 0.00 0.04 0.00 0.00 34.50 32.19 1pfl s PRO 28 CO 0.02 -0.05 0.43 -1.54 0.04 0.00 0.00 177.00 175.90 1pfl s SER 29 N -2.60 -0.30 -0.62 6.66 1.04 -0.25 -4.82 113.70 112.81 1pfl s SER 29 Ca 0.58 -0.08 -0.22 0.00 0.48 0.00 0.00 55.95 56.70 1pfl s SER 29 Cb -0.10 0.46 0.07 0.00 0.10 0.00 0.00 66.02 66.55 1pfl s SER 29 CO 0.22 -0.75 0.89 -0.69 0.98 0.00 0.00 173.24 173.88 1pfl s VAL 30 N -2.99 4.47 0.19 5.02 1.01 -1.26 0.25 120.40 127.09 1pfl s VAL 30 Ca -0.02 -0.40 0.32 0.00 0.00 0.00 0.00 61.98 61.88 1pfl s VAL 30 Cb 0.00 -4.60 0.35 0.00 0.00 0.00 0.00 36.38 32.13 1pfl s VAL 30 CO -0.06 -1.30 1.99 -0.50 0.00 0.00 0.00 175.10 175.23 1pfl h TRP 31 N 9.42 0.00 0.00 5.22 4.06 -0.87 -3.42 115.95 130.36 1pfl h TRP 31 Ca -0.28 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.67 1pfl h TRP 31 Cb 1.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.24 1pfl h TRP 31 CO 0.92 0.07 0.00 0.00 -3.56 0.00 0.00 178.44 175.86 1pfl n ALA 32 N -2.14 0.00 -2.94 1.49 0.00 -0.35 -4.91 120.51 111.66 1pfl n ALA 32 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1pfl n ALA 32 Cb 0.31 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.62 1pfl n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pfl s ALA 33 N 0.00 2.66 -0.48 0.00 0.00 -1.26 -2.09 121.76 120.59 1pfl s ALA 33 Ca 0.00 -0.90 -0.34 0.00 0.00 0.00 0.00 51.96 50.72 1pfl s ALA 33 Cb 0.00 -1.18 -0.13 0.00 0.00 0.00 0.00 23.12 21.81 1pfl s ALA 33 CO 0.00 0.31 2.30 0.28 0.00 0.00 0.00 175.76 178.65 1pfl n VAL 34 N 3.26 0.11 -2.34 0.00 0.31 -0.85 -4.67 118.33 114.14 1pfl n VAL 34 Ca -0.18 -0.29 -0.40 0.00 -0.01 0.00 0.00 64.34 63.47 1pfl n VAL 34 Cb 0.53 -1.58 -0.03 0.00 -0.91 0.00 0.00 33.84 31.84 1pfl n VAL 34 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1pfl s PRO 35 N 6.94 4.40 0.00 5.55 0.04 -1.26 -3.75 135.00 146.92 1pfl s PRO 35 Ca 1.12 1.90 0.00 0.00 0.04 0.00 0.00 61.00 64.07 1pfl s PRO 35 Cb -0.85 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 30.69 1pfl s PRO 35 CO 0.46 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.88 1pfl n GLY 36 N 0.91 0.69 0.36 0.56 0.00 -1.26 -5.01 105.19 101.44 1pfl n GLY 36 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1pfl n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pfl n LYS 37 N -1.15 0.00 0.00 1.61 4.76 -1.25 -5.10 118.16 117.04 1pfl n LYS 37 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1pfl n LYS 37 Cb 0.00 -0.12 0.00 0.00 -1.84 0.00 0.00 35.03 33.07 1pfl n LYS 37 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1pfl n THR 38 N -1.98 0.00 -0.31 -0.18 -1.04 -1.26 -5.00 114.28 104.50 1pfl n THR 38 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1pfl n THR 38 Cb 0.00 0.00 0.13 0.00 -1.82 0.00 0.00 70.33 68.64 1pfl n THR 38 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1pfl h PHE 39 N 0.00 1.01 -0.04 -1.42 -1.00 -1.86 -1.96 116.94 111.68 1pfl h PHE 39 Ca 0.00 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.82 1pfl h PHE 39 Cb 0.00 -0.33 -0.00 0.00 3.61 0.00 0.00 35.95 39.23 1pfl h PHE 39 CO 0.00 0.55 0.19 -0.24 -1.61 0.00 0.00 178.31 177.19 1pfl h VAL 40 N 1.02 0.08 -0.19 -0.55 3.04 -1.83 0.15 116.25 117.97 1pfl h VAL 40 Ca 0.36 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 66.01 1pfl h VAL 40 Cb 0.09 0.82 -0.02 0.00 -2.01 0.00 0.00 31.29 30.17 1pfl h VAL 40 CO -0.15 0.00 0.05 0.59 -1.01 0.00 0.00 177.57 177.05 1pfl n ASN 41 N -3.13 2.53 -4.66 3.17 3.02 -0.74 -4.76 115.26 110.71 1pfl n ASN 41 Ca -0.02 -2.30 -0.43 0.00 -0.03 0.00 0.00 54.58 51.81 1pfl n ASN 41 Cb 0.26 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 38.84 1pfl n ASN 41 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pfl s ILE 42 N -1.34 3.86 0.52 2.41 1.01 0.51 -4.55 121.20 123.62 1pfl s ILE 42 Ca 0.15 1.03 0.05 0.00 0.00 0.00 0.00 60.65 61.89 1pfl s ILE 42 Cb 0.12 -3.70 0.05 0.00 0.01 0.00 0.00 42.46 38.94 1pfl s ILE 42 CO 0.04 -0.13 0.45 0.35 0.00 0.00 0.00 174.94 175.65 1pfl n THR 43 N 5.58 0.00 1.13 2.92 -2.24 -1.26 -4.66 114.28 115.75 1pfl n THR 43 Ca 0.16 -2.02 0.09 0.00 -2.27 0.00 0.00 64.05 60.01 1pfl n THR 43 Cb 0.44 -0.13 0.53 0.00 -2.10 0.00 0.00 70.33 69.06 1pfl n THR 43 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1pfl n PRO 44 N -1.79 0.57 -0.03 -0.78 -0.04 -1.26 -1.90 135.00 129.76 1pfl n PRO 44 Ca 0.01 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.46 1pfl n PRO 44 Cb 0.59 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1pfl n PRO 44 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pfl h ALA 45 N 3.11 0.00 -0.62 0.55 0.00 -1.96 0.20 119.26 120.53 1pfl h ALA 45 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1pfl h ALA 45 Cb 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1pfl h ALA 45 CO 0.00 0.06 0.41 1.05 0.00 0.00 0.00 179.25 180.78 1pfl h GLU 46 N -0.54 0.79 0.00 0.00 9.09 -1.78 0.53 114.58 122.67 1pfl h GLU 46 Ca 0.00 -0.05 -0.08 0.00 0.05 0.00 0.00 59.36 59.28 1pfl h GLU 46 Cb 0.06 -0.18 -0.01 0.00 -1.65 0.00 0.00 28.75 26.97 1pfl h GLU 46 CO 0.00 0.53 -0.37 0.28 0.05 0.00 0.00 179.01 179.50 1pfl h VAL 47 N 0.82 0.66 -0.03 -1.06 2.07 -1.53 -2.47 116.25 114.71 1pfl h VAL 47 Ca 0.23 -1.82 -0.02 0.00 0.82 0.00 0.00 66.70 65.91 1pfl h VAL 47 Cb -0.05 2.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1pfl h VAL 47 CO -0.06 0.36 -0.09 1.23 0.02 0.00 0.00 177.57 179.03 1pfl h GLY 48 N 3.35 0.05 0.69 2.17 0.00 0.17 0.20 103.07 109.70 1pfl h GLY 48 Ca -0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 47.33 46.97 1pfl h GLY 48 CO 0.05 0.02 -1.93 1.55 0.00 0.00 0.00 176.54 176.23 1pfl n VAL 49 N -4.40 1.64 0.76 4.60 3.14 -1.06 0.02 118.33 123.03 1pfl n VAL 49 Ca -0.02 -0.74 0.11 0.00 -2.96 0.00 0.00 64.34 60.73 1pfl n VAL 49 Cb 0.18 -1.24 0.48 0.00 -1.06 0.00 0.00 33.84 32.20 1pfl n VAL 49 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1pfl n LEU 50 N -3.18 0.04 0.00 6.55 4.77 -0.94 -4.47 117.00 119.77 1pfl n LEU 50 Ca -0.26 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1pfl n LEU 50 Cb 1.06 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1pfl n LEU 50 CO 0.43 -0.12 0.00 1.33 -1.33 0.00 0.00 177.39 177.69 1pfl n VAL 51 N -1.54 0.00 -1.61 4.08 0.24 0.69 -5.03 118.33 115.16 1pfl n VAL 51 Ca 0.05 0.00 -0.51 0.00 -2.04 0.00 0.00 64.34 61.84 1pfl n VAL 51 Cb 0.27 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.58 1pfl n VAL 51 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pfl n GLY 52 N -0.21 0.98 0.51 7.63 0.00 0.10 -4.77 105.19 109.44 1pfl n GLY 52 Ca 0.00 0.90 0.36 0.00 0.00 0.00 0.00 46.02 47.28 1pfl n GLY 52 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1pfl h LYS 53 N 9.95 0.11 -6.05 1.61 5.09 -1.95 -3.14 116.57 122.19 1pfl h LYS 53 Ca -0.41 -0.01 -0.60 0.00 0.09 0.00 0.00 60.65 59.73 1pfl h LYS 53 Cb 1.30 -0.03 -0.09 0.00 0.10 0.00 0.00 32.23 33.51 1pfl h LYS 53 CO 0.98 0.07 1.56 0.34 -2.09 0.00 0.00 179.45 180.31 1pfl s ASP 54 N -4.74 6.47 -0.37 7.07 -1.08 -1.26 -4.59 116.67 118.17 1pfl s ASP 54 Ca -0.07 -1.56 0.06 0.00 -0.52 0.00 0.00 52.55 50.46 1pfl s ASP 54 Cb 0.26 -2.57 0.27 0.00 -1.46 0.00 0.00 42.92 39.42 1pfl s ASP 54 CO 0.82 -1.53 1.24 -2.11 0.52 0.00 0.00 175.17 174.11 1pfl n ARG 55 N 8.81 0.78 0.01 4.34 1.85 -1.19 -4.82 116.66 126.45 1pfl n ARG 55 Ca 0.36 -1.40 0.12 0.00 -1.00 0.00 0.00 57.85 55.93 1pfl n ARG 55 Cb 0.50 -0.13 0.23 0.00 -1.05 0.00 0.00 32.46 32.01 1pfl n ARG 55 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1pfl n SER 56 N -0.41 0.53 -0.05 2.89 2.88 -1.26 -4.35 113.62 113.84 1pfl n SER 56 Ca -0.10 -0.19 -0.00 0.00 -1.33 0.00 0.00 58.87 57.25 1pfl n SER 56 Cb 0.76 0.25 -0.00 0.00 -0.75 0.00 0.00 64.21 64.48 1pfl n SER 56 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1pfl h SER 57 N 0.00 0.00 -0.63 -3.46 4.64 -1.99 -3.35 113.55 108.76 1pfl h SER 57 Ca 0.00 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.50 1pfl h SER 57 Cb 0.54 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 1pfl h SER 57 CO 0.00 0.50 1.03 2.22 -0.87 0.00 0.00 176.83 179.71 1pfl n PHE 58 N -4.67 0.00 0.02 4.77 1.16 -1.26 -1.60 117.46 115.87 1pfl n PHE 58 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1pfl n PHE 58 Cb 0.01 -0.16 0.01 0.00 -1.61 0.00 0.00 39.48 37.74 1pfl n PHE 58 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 1pfl n TYR 59 N -2.79 0.00 -0.01 2.97 4.01 -1.26 -0.15 117.16 119.93 1pfl n TYR 59 Ca 0.14 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.87 1pfl n TYR 59 Cb 1.22 -0.45 -0.01 0.00 -0.31 0.00 0.00 39.34 39.79 1pfl n TYR 59 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1pfl n VAL 60 N -1.45 0.14 -0.09 -0.72 0.24 -0.63 -4.75 118.33 111.07 1pfl n VAL 60 Ca 0.00 -0.07 -0.17 0.00 -2.04 0.00 0.00 64.34 62.06 1pfl n VAL 60 Cb 0.00 -0.75 -0.09 0.00 -1.47 0.00 0.00 33.84 31.53 1pfl n VAL 60 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1pfl h ASN 61 N 0.00 0.00 -4.12 -1.34 7.08 -1.58 -3.48 115.58 112.14 1pfl h ASN 61 Ca -0.06 -0.36 0.00 0.00 -3.08 0.00 0.00 56.30 52.80 1pfl h ASN 61 Cb 1.11 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.35 1pfl h ASN 61 CO -0.00 1.27 0.00 0.61 -2.08 0.00 0.00 177.43 177.23 1pfl n GLY 62 N 1.49 4.38 0.00 9.14 0.00 0.79 -4.36 105.19 116.62 1pfl n GLY 62 Ca -0.25 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1pfl n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pfl n LEU 63 N 0.00 0.00 -3.64 0.99 4.77 0.24 -4.66 117.00 114.70 1pfl n LEU 63 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 1pfl n LEU 63 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1pfl n LEU 63 CO 0.00 -0.18 0.31 0.42 -1.33 0.00 0.00 177.39 176.61 1pfl s THR 64 N 0.00 -0.57 -0.29 -5.08 -4.23 -1.26 -2.48 115.64 101.73 1pfl s THR 64 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 1pfl s THR 64 Cb 0.00 -1.00 0.08 0.00 1.34 0.00 0.00 72.50 72.92 1pfl s THR 64 CO 0.00 0.00 0.02 -1.48 -0.54 0.00 0.00 174.62 172.62 1pfl s LEU 65 N 2.36 3.15 -0.54 4.79 0.05 -0.79 -4.48 118.68 123.23 1pfl s LEU 65 Ca -0.08 -1.62 0.00 0.00 0.05 0.00 0.00 54.13 52.48 1pfl s LEU 65 Cb -0.09 -1.22 0.00 0.00 -2.05 0.00 0.00 46.19 42.83 1pfl s LEU 65 CO -0.19 -0.33 0.00 0.61 -0.55 0.00 0.00 176.35 175.88 1pfl n GLY 66 N 4.59 0.53 0.98 -3.48 0.00 -1.26 -2.57 105.19 103.98 1pfl n GLY 66 Ca -0.04 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1pfl n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pfl n GLY 67 N -1.77 0.74 3.29 -0.02 0.00 -1.26 -4.78 105.19 101.38 1pfl n GLY 67 Ca -0.06 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 1pfl n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pfl s GLN 68 N -0.61 2.63 -0.30 1.61 2.00 -1.06 -5.05 119.66 118.87 1pfl s GLN 68 Ca 0.00 -1.31 -0.28 0.00 -2.00 0.00 0.00 55.36 51.77 1pfl s GLN 68 Cb 0.00 -3.65 -0.03 0.00 0.80 0.00 0.00 33.01 30.13 1pfl s GLN 68 CO 0.00 -0.81 1.92 0.21 -0.50 0.00 0.00 175.29 176.11 1pfl s LYS 69 N 1.43 3.27 -0.04 1.67 2.20 -1.26 -1.88 119.74 125.14 1pfl s LYS 69 Ca 0.01 1.60 0.06 0.00 -0.36 0.00 0.00 55.97 57.28 1pfl s LYS 69 Cb -0.21 -4.25 -0.02 0.00 -1.51 0.00 0.00 37.83 31.84 1pfl s LYS 69 CO 0.03 -1.93 -0.20 0.00 -0.36 0.00 0.00 175.35 172.89 1pfl s SER 71 N -0.67 5.85 0.10 0.00 1.04 -0.13 0.81 113.70 120.69 1pfl s SER 71 Ca 0.11 -0.03 -0.36 0.00 0.48 0.00 0.00 55.95 56.14 1pfl s SER 71 Cb -0.10 -2.08 -0.17 0.00 0.10 0.00 0.00 66.02 63.77 1pfl s SER 71 CO -0.00 -0.03 1.25 0.52 0.98 0.00 0.00 173.24 175.96 1pfl n VAL 72 N 4.93 0.28 -3.30 5.02 0.31 -1.26 -1.69 118.33 122.62 1pfl n VAL 72 Ca -0.15 -0.07 -0.25 0.00 -0.01 0.00 0.00 64.34 63.86 1pfl n VAL 72 Cb 0.52 -0.73 -0.08 0.00 -0.91 0.00 0.00 33.84 32.65 1pfl n VAL 72 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1pfl n ILE 73 N 2.09 0.22 0.00 2.52 -0.00 0.32 -4.85 119.36 119.66 1pfl n ILE 73 Ca 0.18 -4.34 0.00 0.00 -0.00 0.00 0.00 62.75 58.59 1pfl n ILE 73 Cb 0.19 -1.98 0.00 0.00 -0.00 0.00 0.00 39.64 37.85 1pfl n ILE 73 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41 1pfl n ARG 74 N 1.38 0.00 -2.23 0.38 0.63 -1.26 -3.40 116.66 112.16 1pfl n ARG 74 Ca 0.24 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.75 1pfl n ARG 74 Cb 0.49 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.37 1pfl n ARG 74 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1pfl s ASP 75 N -0.55 6.05 0.00 6.15 2.15 -1.26 -3.55 116.67 125.65 1pfl s ASP 75 Ca 0.00 0.78 0.05 0.00 0.43 0.00 0.00 52.55 53.81 1pfl s ASP 75 Cb 0.00 -2.54 0.09 0.00 -0.30 0.00 0.00 42.92 40.17 1pfl s ASP 75 CO 0.00 -1.67 1.02 -1.20 -0.17 0.00 0.00 175.17 173.15 1pfl n SER 76 N 9.82 0.19 0.08 -0.34 7.64 -0.86 -4.90 113.62 125.26 1pfl n SER 76 Ca 0.18 -1.97 0.21 0.00 1.01 0.00 0.00 58.87 58.29 1pfl n SER 76 Cb 0.48 -0.21 0.73 0.00 -1.01 0.00 0.00 64.21 64.20 1pfl n SER 76 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1pfl h LEU 77 N 0.20 0.00 -9.08 -3.43 5.85 -1.67 0.71 115.31 107.88 1pfl h LEU 77 Ca -0.05 0.00 -0.62 0.00 0.84 0.00 0.00 57.88 58.05 1pfl h LEU 77 Cb 1.49 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.38 1pfl h LEU 77 CO 0.02 0.00 -0.46 -0.76 -0.34 0.00 0.00 178.44 176.90 1pfl s LEU 78 N -7.36 4.11 -0.33 2.25 1.43 -1.26 -3.97 118.68 113.55 1pfl s LEU 78 Ca -0.04 0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 53.12 1pfl s LEU 78 Cb 0.15 -2.17 -0.10 0.00 0.03 0.00 0.00 46.19 44.10 1pfl s LEU 78 CO 0.54 0.03 1.33 0.00 0.23 0.00 0.00 176.35 178.48 1pfl n GLN 79 N 4.38 0.03 -1.05 1.70 10.64 -1.26 -4.11 117.38 127.71 1pfl n GLN 79 Ca -0.14 -0.59 -0.10 0.00 -1.83 0.00 0.00 57.00 54.35 1pfl n GLN 79 Cb 0.52 -2.00 0.27 0.00 -0.86 0.00 0.00 30.24 28.17 1pfl n GLN 79 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1pfl n ASP 80 N 9.46 4.49 0.00 2.61 2.03 -1.26 -4.73 116.55 129.15 1pfl n ASP 80 Ca 0.16 -3.33 0.00 0.00 0.52 0.00 0.00 54.79 52.13 1pfl n ASP 80 Cb 0.46 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 1pfl n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pfl n GLY 81 N -0.43 1.54 2.16 0.27 0.00 -1.26 -4.95 105.19 102.51 1pfl n GLY 81 Ca 0.45 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1pfl n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pfl n GLU 82 N -1.05 0.00 -0.50 1.61 4.71 -1.26 -5.02 120.64 119.13 1pfl n GLU 82 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1pfl n GLU 82 Cb 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.56 1pfl n GLU 82 CO 0.00 0.00 0.00 1.97 0.09 0.00 0.00 177.13 179.19 1pfl n PHE 83 N -3.24 0.00 -3.97 -0.32 -1.74 0.24 -4.91 117.46 103.52 1pfl n PHE 83 Ca 0.00 0.00 -0.34 0.00 -0.56 0.00 0.00 57.45 56.55 1pfl n PHE 83 Cb 0.00 -1.32 -0.06 0.00 1.52 0.00 0.00 39.48 39.62 1pfl n PHE 83 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1pfl s SER 84 N -1.31 6.15 -0.04 5.98 1.04 -1.06 -1.86 113.70 122.60 1pfl s SER 84 Ca 0.00 0.32 -0.01 0.00 0.48 0.00 0.00 55.95 56.74 1pfl s SER 84 Cb 0.00 -1.90 0.03 0.00 0.10 0.00 0.00 66.02 64.25 1pfl s SER 84 CO 0.00 0.31 0.02 -0.32 0.98 0.00 0.00 173.24 174.23 1pfl s MET 85 N -1.59 0.18 -1.22 4.02 1.75 -0.16 -2.02 119.30 120.26 1pfl s MET 85 Ca 0.22 0.18 -0.11 0.00 -1.25 0.00 0.00 55.69 54.74 1pfl s MET 85 Cb -0.12 -0.52 0.19 0.00 2.84 0.00 0.00 34.83 37.22 1pfl s MET 85 CO 0.13 -0.22 1.56 -0.25 -0.65 0.00 0.00 175.02 175.59 1pfl n ASP 86 N 4.61 5.29 -4.59 1.11 8.00 -1.22 -1.00 116.55 128.75 1pfl n ASP 86 Ca -0.17 -3.06 -0.41 0.00 0.71 0.00 0.00 54.79 51.86 1pfl n ASP 86 Cb 0.50 -1.50 -0.07 0.00 -0.02 0.00 0.00 41.12 40.03 1pfl n ASP 86 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1pfl s LEU 87 N 0.43 4.16 0.00 0.64 -0.00 -0.36 0.12 118.68 123.68 1pfl s LEU 87 Ca 0.40 0.38 0.08 0.00 -0.00 0.00 0.00 54.13 54.99 1pfl s LEU 87 Cb 0.01 -2.80 -0.02 0.00 -0.00 0.00 0.00 46.19 43.38 1pfl s LEU 87 CO 0.00 -0.49 -0.24 0.00 -0.00 0.00 0.00 176.35 175.62 1pfl s ARG 88 N 2.61 1.86 -0.36 1.48 1.70 -0.68 -1.46 118.95 124.10 1pfl s ARG 88 Ca 0.25 -0.93 -0.27 0.00 -0.47 0.00 0.00 55.73 54.31 1pfl s ARG 88 Cb -0.15 -1.87 -0.06 0.00 -0.57 0.00 0.00 34.95 32.30 1pfl s ARG 88 CO 0.12 0.50 2.32 0.25 -1.08 0.00 0.00 175.30 177.42 1pfl n THR 89 N 2.25 0.13 -3.65 4.99 -2.24 0.30 -0.96 114.28 115.10 1pfl n THR 89 Ca -0.16 -0.63 -0.36 0.00 -2.27 0.00 0.00 64.05 60.63 1pfl n THR 89 Cb 0.52 -2.67 -0.06 0.00 -2.10 0.00 0.00 70.33 66.03 1pfl n THR 89 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1pfl s LYS 90 N 7.32 3.71 0.00 -0.78 -0.14 -1.26 -2.03 119.74 126.56 1pfl s LYS 90 Ca 1.00 0.15 0.00 0.00 -1.36 0.00 0.00 55.97 55.76 1pfl s LYS 90 Cb -0.27 -3.14 0.00 0.00 -1.68 0.00 0.00 37.83 32.74 1pfl s LYS 90 CO 0.31 0.68 0.00 0.45 -0.76 0.00 0.00 175.35 176.03 1pfl n SER 91 N 1.53 1.92 -2.02 2.83 2.88 -1.26 -5.01 113.62 114.48 1pfl n SER 91 Ca -0.14 -0.62 0.00 0.00 -1.33 0.00 0.00 58.87 56.78 1pfl n SER 91 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1pfl n SER 91 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1pfl n THR 92 N -0.03 0.00 -2.36 2.46 -2.24 -1.26 -4.91 114.28 105.94 1pfl n THR 92 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1pfl n THR 92 Cb 0.00 -1.73 -0.03 0.00 -2.10 0.00 0.00 70.33 66.48 1pfl n THR 92 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1pfl s GLY 93 N -2.53 0.90 0.00 3.38 0.00 -1.26 -2.47 107.32 105.34 1pfl s GLY 93 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.17 1pfl s GLY 93 CO 0.00 2.83 0.00 0.61 0.00 0.00 0.00 173.10 176.54 1pfl n GLY 94 N 5.25 1.05 3.98 0.20 0.00 -1.26 -5.10 105.19 109.31 1pfl n GLY 94 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 1pfl n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pfl s ALA 95 N -2.00 4.20 -0.14 4.61 0.00 -1.03 -5.08 121.76 122.31 1pfl s ALA 95 Ca 0.00 -1.44 -0.20 0.00 0.00 0.00 0.00 51.96 50.32 1pfl s ALA 95 Cb 0.00 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 1pfl s ALA 95 CO 0.00 -0.00 0.56 -1.25 0.00 0.00 0.00 175.76 175.06 1pfl s PRO 96 N -4.15 4.30 0.55 0.00 0.04 -1.26 -4.81 135.00 129.67 1pfl s PRO 96 Ca 0.44 0.55 0.08 0.00 0.04 0.00 0.00 61.00 62.11 1pfl s PRO 96 Cb -0.09 -3.49 0.06 0.00 0.04 0.00 0.00 34.50 31.01 1pfl s PRO 96 CO 0.31 -0.00 0.64 0.95 0.04 0.00 0.00 177.00 178.93 1pfl s THR 97 N 1.13 2.09 0.00 1.26 -4.23 -1.26 -4.67 115.64 109.97 1pfl s THR 97 Ca 0.28 -1.16 -0.18 0.00 -1.18 0.00 0.00 61.69 59.45 1pfl s THR 97 Cb -0.16 -2.25 0.03 0.00 1.34 0.00 0.00 72.50 71.46 1pfl s THR 97 CO 0.11 0.00 0.40 -0.36 -0.54 0.00 0.00 174.62 174.23 1pfl s PHE 98 N -2.66 -0.27 0.33 3.99 0.08 -0.86 -3.80 117.98 114.78 1pfl s PHE 98 Ca 0.53 0.35 0.03 0.00 0.12 0.00 0.00 56.93 57.96 1pfl s PHE 98 Cb -0.05 0.18 -0.05 0.00 -0.57 0.00 0.00 43.02 42.53 1pfl s PHE 98 CO 0.33 -0.49 0.08 -0.80 -0.10 0.00 0.00 175.22 174.23 1pfl s ASN 99 N -1.60 2.32 -0.13 1.36 -0.87 -1.20 0.11 114.94 114.93 1pfl s ASN 99 Ca -0.10 -1.44 -0.20 0.00 -1.57 0.00 0.00 52.86 49.56 1pfl s ASN 99 Cb -0.03 0.07 0.05 0.00 -0.02 0.00 0.00 41.25 41.32 1pfl s ASN 99 CO 0.02 -0.69 0.50 -0.69 -2.57 0.00 0.00 177.10 173.68 1pfl s VAL 100 N -3.33 0.01 -0.13 1.60 1.01 -0.54 -1.98 120.40 117.04 1pfl s VAL 100 Ca 0.34 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.23 1pfl s VAL 100 Cb 0.07 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1pfl s VAL 100 CO 0.15 -0.06 -0.20 -0.89 0.00 0.00 0.00 175.10 174.10 1pfl s THR 101 N -0.38 2.26 -0.17 3.92 2.01 -0.12 -1.22 115.64 121.94 1pfl s THR 101 Ca -0.05 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 61.02 1pfl s THR 101 Cb -0.03 -1.91 -0.00 0.00 0.01 0.00 0.00 72.50 70.57 1pfl s THR 101 CO 0.03 0.54 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.69 1pfl s VAL 102 N 0.67 2.83 -0.15 3.82 1.01 -0.17 0.17 120.40 128.58 1pfl s VAL 102 Ca -0.10 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 1pfl s VAL 102 Cb -0.16 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 1pfl s VAL 102 CO 0.02 0.49 -0.11 0.42 0.00 0.00 0.00 175.10 175.92 1pfl s THR 103 N 1.00 3.14 -0.10 3.92 -4.23 0.22 -0.99 115.64 118.59 1pfl s THR 103 Ca -0.01 -0.62 -0.01 0.00 -1.18 0.00 0.00 61.69 59.87 1pfl s THR 103 Cb -0.15 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 1pfl s THR 103 CO -0.02 0.50 -0.07 -0.75 -0.54 0.00 0.00 174.62 173.74 1pfl s LYS 104 N 0.59 3.12 0.00 3.99 2.47 -0.78 -0.59 119.74 128.54 1pfl s LYS 104 Ca -0.07 -0.57 0.00 0.00 -1.56 0.00 0.00 55.97 53.78 1pfl s LYS 104 Cb -0.15 -2.68 0.00 0.00 -1.46 0.00 0.00 37.83 33.53 1pfl s LYS 104 CO 0.03 0.46 0.00 0.25 0.16 0.00 0.00 175.35 176.25 1pfl n THR 105 N 2.83 0.00 0.04 3.43 -2.24 -1.00 -4.75 114.28 112.59 1pfl n THR 105 Ca -0.18 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.70 1pfl n THR 105 Cb 0.53 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.67 1pfl n THR 105 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1pfl n ASP 106 N 0.00 0.45 -0.84 3.42 -0.08 -1.25 -4.57 116.55 113.67 1pfl n ASP 106 Ca 0.00 0.18 -0.00 0.00 -1.51 0.00 0.00 54.79 53.46 1pfl n ASP 106 Cb 0.00 1.11 -0.01 0.00 2.34 0.00 0.00 41.12 44.56 1pfl n ASP 106 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1pfl n LYS 107 N -2.52 0.00 -4.03 -0.67 5.02 0.12 -5.11 118.16 110.97 1pfl n LYS 107 Ca -0.04 -1.03 -0.08 0.00 -2.02 0.00 0.00 58.31 55.14 1pfl n LYS 107 Cb 0.61 -0.09 -0.09 0.00 -0.02 0.00 0.00 35.03 35.44 1pfl n LYS 107 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1pfl s THR 108 N 0.00 0.18 -0.52 -0.18 -4.23 -1.23 -4.47 115.64 105.19 1pfl s THR 108 Ca 0.09 -1.65 0.04 0.00 -1.18 0.00 0.00 61.69 58.98 1pfl s THR 108 Cb 0.10 -1.55 0.15 0.00 1.34 0.00 0.00 72.50 72.54 1pfl s THR 108 CO -0.04 -0.83 0.33 -0.22 -0.54 0.00 0.00 174.62 173.32 1pfl s LEU 109 N -2.92 3.33 0.29 4.79 0.20 -0.53 -2.38 118.68 121.46 1pfl s LEU 109 Ca 0.09 -3.12 -0.25 0.00 0.69 0.00 0.00 54.13 51.54 1pfl s LEU 109 Cb 0.07 -1.19 -0.09 0.00 -0.43 0.00 0.00 46.19 44.54 1pfl s LEU 109 CO -0.09 -0.19 0.89 -0.69 -0.29 0.00 0.00 176.35 175.98 1pfl s VAL 110 N -0.32 4.29 0.14 1.68 1.01 0.25 -1.28 120.40 126.16 1pfl s VAL 110 Ca 0.22 1.71 0.07 0.00 0.00 0.00 0.00 61.98 63.97 1pfl s VAL 110 Cb -0.14 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1pfl s VAL 110 CO -0.08 0.18 -0.15 -0.76 0.00 0.00 0.00 175.10 174.29 1pfl s LEU 111 N -1.99 2.43 -0.30 3.92 1.43 0.77 -0.61 118.68 124.33 1pfl s LEU 111 Ca 0.48 -0.85 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 1pfl s LEU 111 Cb -0.18 -0.61 0.10 0.00 0.03 0.00 0.00 46.19 45.53 1pfl s LEU 111 CO 0.23 -0.14 0.11 -0.22 0.23 0.00 0.00 176.35 176.57 1pfl s LEU 112 N -2.63 1.63 0.19 1.79 1.98 0.13 -1.91 118.68 119.86 1pfl s LEU 112 Ca 0.12 -1.52 -0.12 0.00 -2.89 0.00 0.00 54.13 49.73 1pfl s LEU 112 Cb -0.04 -0.68 -0.07 0.00 0.66 0.00 0.00 46.19 46.06 1pfl s LEU 112 CO 0.04 -0.42 0.55 -0.32 -1.89 0.00 0.00 176.35 174.30 1pfl s MET 113 N 1.79 3.88 -0.30 1.98 -2.45 -0.03 -0.95 119.30 123.21 1pfl s MET 113 Ca 0.10 0.37 -0.19 0.00 -1.25 0.00 0.00 55.69 54.71 1pfl s MET 113 Cb -0.17 -2.77 0.19 0.00 1.25 0.00 0.00 34.83 33.33 1pfl s MET 113 CO -0.29 0.39 1.28 0.20 1.05 0.00 0.00 175.02 177.64 1pfl s GLY 114 N -2.07 0.24 -0.30 2.11 0.00 -0.84 -1.33 107.32 105.13 1pfl s GLY 114 Ca 0.43 3.60 -0.11 0.00 0.00 0.00 0.00 44.72 48.63 1pfl s GLY 114 CO 0.20 3.47 0.82 0.54 0.00 0.00 0.00 173.10 178.13 1pfl s LYS 115 N 2.18 0.43 -0.60 2.90 3.01 0.25 -3.27 119.74 124.63 1pfl s LYS 115 Ca -0.01 1.00 -0.01 0.00 -1.01 0.00 0.00 55.97 55.94 1pfl s LYS 115 Cb -0.02 0.60 0.15 0.00 -1.01 0.00 0.00 37.83 37.55 1pfl s LYS 115 CO -0.15 -0.21 0.39 -2.00 0.51 0.00 0.00 175.35 173.89 1pfl s GLU 116 N 2.71 2.42 0.00 1.68 2.12 -1.26 -4.67 118.70 121.70 1pfl s GLU 116 Ca -0.01 -2.56 0.00 0.00 0.36 0.00 0.00 54.97 52.77 1pfl s GLU 116 Cb -0.10 -3.63 0.00 0.00 0.26 0.00 0.00 34.13 30.67 1pfl s GLU 116 CO -0.18 -1.16 0.00 0.41 -0.54 0.00 0.00 175.26 173.79 1pfl n GLY 117 N 3.38 0.00 1.19 -1.50 0.00 -1.25 -4.78 105.19 102.23 1pfl n GLY 117 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 1pfl n GLY 117 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1pfl n VAL 118 N -1.30 0.41 0.04 1.61 3.14 -1.26 -4.93 118.33 116.04 1pfl n VAL 118 Ca 0.00 -0.18 -0.09 0.00 -2.96 0.00 0.00 64.34 61.11 1pfl n VAL 118 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 1pfl n VAL 118 CO 0.00 0.00 0.00 -0.74 -6.46 0.00 0.00 176.83 169.63 1pfl h HIS 119 N 0.21 -0.19 0.00 1.45 2.76 -1.92 -3.42 115.15 114.03 1pfl h HIS 119 Ca -0.12 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 1pfl h HIS 119 Cb 0.51 0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.54 1pfl h HIS 119 CO 0.12 0.20 0.00 0.41 -1.30 0.00 0.00 177.93 177.36 1pfl n GLY 120 N 0.87 1.61 0.09 5.26 0.00 -1.26 -4.98 105.19 106.78 1pfl n GLY 120 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 1pfl n GLY 120 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pfl h GLY 121 N 0.00 0.00 1.29 -0.02 0.00 -1.97 -2.46 103.07 99.91 1pfl h GLY 121 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 1pfl h GLY 121 CO 0.00 0.00 -1.30 1.41 0.00 0.00 0.00 176.54 176.65 1pfl h LEU 122 N 0.00 0.83 -0.75 3.11 3.38 -1.99 -1.86 115.31 118.03 1pfl h LEU 122 Ca -0.14 -0.80 -0.13 0.00 0.09 0.00 0.00 57.88 56.90 1pfl h LEU 122 Cb 1.70 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 1pfl h LEU 122 CO 0.07 1.61 -0.55 0.40 0.09 0.00 0.00 178.44 180.06 1pfl h ILE 123 N 0.23 1.37 0.00 1.22 2.04 -1.96 -0.80 117.51 119.60 1pfl h ILE 123 Ca -0.20 -1.86 -0.03 0.00 1.00 0.00 0.00 64.86 63.77 1pfl h ILE 123 Cb 1.98 1.92 -0.00 0.00 -0.74 0.00 0.00 36.82 39.98 1pfl h ILE 123 CO 0.24 0.55 -0.15 -1.13 0.00 0.00 0.00 178.15 177.66 1pfl h ASN 124 N 0.16 0.00 0.17 1.72 -0.73 -1.31 0.28 115.58 115.87 1pfl h ASN 124 Ca 0.00 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.86 1pfl h ASN 124 Cb 1.02 0.00 0.03 0.00 0.27 0.00 0.00 38.32 39.64 1pfl h ASN 124 CO 0.08 0.15 -1.31 0.11 -0.37 0.00 0.00 177.43 176.09 1pfl h LYS 125 N 0.00 0.60 -0.00 6.67 1.79 -0.35 -2.68 116.57 122.60 1pfl h LYS 125 Ca -0.00 -0.86 0.00 0.00 -2.18 0.00 0.00 60.65 57.60 1pfl h LYS 125 Cb 0.34 0.30 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1pfl h LYS 125 CO 0.02 1.40 -0.09 1.63 -1.08 0.00 0.00 179.45 181.33 1pfl n LYS 126 N -3.78 0.04 -0.00 3.15 4.01 -0.43 -2.51 118.16 118.63 1pfl n LYS 126 Ca -0.15 -0.01 -0.13 0.00 -0.51 0.00 0.00 58.31 57.51 1pfl n LYS 126 Cb 1.02 -1.50 -0.14 0.00 -0.51 0.00 0.00 35.03 33.90 1pfl n LYS 126 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1pfl h TYR 128 N 0.03 0.40 0.23 0.00 3.20 -1.40 -1.59 116.97 117.84 1pfl h TYR 128 Ca -0.32 -0.06 -0.34 0.00 3.14 0.00 0.00 58.73 61.15 1pfl h TYR 128 Cb 2.02 -0.11 0.03 0.00 1.54 0.00 0.00 36.73 40.21 1pfl h TYR 128 CO 0.03 0.51 -1.54 0.93 -1.64 0.00 0.00 178.16 176.45 1pfl h GLU 129 N 0.35 0.49 -0.49 1.82 4.39 -1.54 -0.87 114.58 118.72 1pfl h GLU 129 Ca 0.07 -0.84 0.05 0.00 0.34 0.00 0.00 59.36 58.98 1pfl h GLU 129 Cb 0.47 0.31 -0.04 0.00 -0.10 0.00 0.00 28.75 29.38 1pfl h GLU 129 CO 0.03 1.40 0.24 1.98 -1.16 0.00 0.00 179.01 181.49 1pfl h MET 130 N 0.11 0.45 0.00 2.33 4.05 -1.20 0.01 114.93 120.67 1pfl h MET 130 Ca -0.28 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.11 1pfl h MET 130 Cb 2.13 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 32.83 1pfl h MET 130 CO 0.24 0.30 0.00 0.00 0.23 0.00 0.00 176.91 177.68 1pfl h ALA 131 N 1.28 1.00 -0.35 0.39 0.00 -1.39 -3.06 119.26 117.12 1pfl h ALA 131 Ca 0.22 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1pfl h ALA 131 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1pfl h ALA 131 CO -0.17 0.00 0.23 0.66 0.00 0.00 0.00 179.25 179.97 1pfl h SER 132 N 0.00 0.39 0.20 0.00 4.64 0.51 0.38 113.55 119.66 1pfl h SER 132 Ca 0.00 -0.01 -0.30 0.00 -0.47 0.00 0.00 61.79 61.01 1pfl h SER 132 Cb 0.88 -0.10 0.03 0.00 -0.31 0.00 0.00 62.40 62.90 1pfl h SER 132 CO 0.00 0.28 -1.29 -0.74 -0.87 0.00 0.00 176.83 174.21 1pfl h HIS 133 N 0.46 0.92 0.00 4.77 2.76 -1.41 -2.06 115.15 120.58 1pfl h HIS 133 Ca 0.13 -0.64 0.00 0.00 -2.20 0.00 0.00 60.37 57.66 1pfl h HIS 133 Cb -0.03 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 28.88 1pfl h HIS 133 CO -0.00 1.49 0.00 1.28 -1.30 0.00 0.00 177.93 179.40 1pfl n LEU 134 N -3.82 0.04 -0.01 0.26 4.32 -0.51 0.13 117.00 117.40 1pfl n LEU 134 Ca -0.15 0.51 -0.19 0.00 -0.02 0.00 0.00 56.01 56.15 1pfl n LEU 134 Cb 1.02 -0.51 -0.14 0.00 -1.62 0.00 0.00 43.42 42.17 1pfl n LEU 134 CO 0.58 -0.32 -0.83 0.54 -1.22 0.00 0.00 177.39 176.14 1pfl n ARG 135 N -1.54 0.73 0.00 3.23 1.74 0.12 -3.49 116.66 117.45 1pfl n ARG 135 Ca 0.03 0.25 0.15 0.00 -0.77 0.00 0.00 57.85 57.51 1pfl n ARG 135 Cb 0.14 -1.70 0.83 0.00 -1.02 0.00 0.00 32.46 30.71 1pfl n ARG 135 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1pfl n ARG 136 N -3.39 0.76 0.11 5.56 1.74 -0.49 -2.88 116.66 118.07 1pfl n ARG 136 Ca -0.31 -0.05 0.12 0.00 -0.77 0.00 0.00 57.85 56.83 1pfl n ARG 136 Cb 1.05 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 31.17 1pfl n ARG 136 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1pfl h SER 137 N 0.13 0.00 -1.89 0.55 4.64 0.10 -3.48 113.55 113.61 1pfl h SER 137 Ca 0.00 -0.07 -0.28 0.00 -0.47 0.00 0.00 61.79 60.97 1pfl h SER 137 Cb 0.17 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1pfl h SER 137 CO 0.00 0.04 -0.35 0.00 -0.87 0.00 0.00 176.83 175.65 1pfl n GLN 138 N -2.48 -1.10 0.00 4.77 1.13 -1.14 -5.05 117.38 113.51 1pfl n GLN 138 Ca 0.03 0.70 0.10 0.00 -1.94 0.00 0.00 57.00 55.89 1pfl n GLN 138 Cb 0.48 -4.96 0.08 0.00 0.11 0.00 0.00 30.24 25.96 1pfl n GLN 138 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28