#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 0.30 0.19 0.00 0.00 -1.26 -4.62 105.19 99.81 1pfl n GLY 2 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.22 -0.00 1.61 -0.00 -2.00 0.30 115.95 115.64 1pfl h TRP 3 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.93 1pfl h TRP 3 Cb 0.00 0.17 -0.00 0.00 -0.00 0.00 0.00 29.16 29.33 1pfl h TRP 3 CO 0.00 -0.19 0.05 -0.91 -0.00 0.00 0.00 178.44 177.39 1pfl h ASN 4 N 0.01 0.00 0.04 -3.49 4.21 -1.92 0.12 115.58 114.56 1pfl h ASN 4 Ca 0.23 0.00 -0.27 0.00 1.21 0.00 0.00 56.30 57.46 1pfl h ASN 4 Cb 0.34 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.57 1pfl h ASN 4 CO -0.47 0.00 -1.08 0.00 -1.29 0.00 0.00 177.43 174.59 1pfl h ALA 5 N 1.91 0.12 0.00 -0.83 0.00 -1.19 0.23 119.26 119.48 1pfl h ALA 5 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1pfl h ALA 5 Cb 0.10 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1pfl h ALA 5 CO -0.00 0.70 0.00 0.66 0.00 0.00 0.00 179.25 180.61 1pfl n TYR 6 N -3.84 0.03 -0.02 0.00 4.01 -0.06 -0.55 117.16 116.73 1pfl n TYR 6 Ca -0.11 0.01 -0.08 0.00 -0.16 0.00 0.00 57.90 57.56 1pfl n TYR 6 Cb 0.90 -0.52 -0.14 0.00 -0.31 0.00 0.00 39.34 39.28 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 -1.52 1.57 0.32 -0.72 2.08 -0.64 -3.38 119.36 117.05 1pfl n ILE 7 Ca 0.05 -0.79 0.14 0.00 0.56 0.00 0.00 62.75 62.71 1pfl n ILE 7 Cb 0.24 -1.00 0.63 0.00 -0.75 0.00 0.00 39.64 38.76 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 -0.66 4.38 5.19 0.20 -1.78 116.42 123.75 1pfl h ASP 8 Ca -0.28 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.20 1pfl h ASP 8 Cb 1.99 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 41.46 1pfl h ASP 8 CO 0.07 0.00 0.44 -1.13 -3.12 0.00 0.00 179.24 175.50 1pfl h ASN 9 N 0.00 0.55 0.56 6.45 -1.24 -1.27 0.16 115.58 120.78 1pfl h ASN 9 Ca 0.00 0.01 -0.29 0.00 0.71 0.00 0.00 56.30 56.73 1pfl h ASN 9 Cb 0.29 -0.11 0.01 0.00 0.73 0.00 0.00 38.32 39.24 1pfl h ASN 9 CO 0.00 0.35 -1.29 -0.07 -1.29 0.00 0.00 177.43 175.12 1pfl h LEU 10 N 0.62 0.52 -0.53 0.34 -0.00 -1.52 -1.43 115.31 113.30 1pfl h LEU 10 Ca 0.29 -0.55 -0.11 0.00 -0.00 0.00 0.00 57.88 57.52 1pfl h LEU 10 Cb 0.35 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.83 1pfl h LEU 10 CO -0.09 1.43 -0.50 0.24 -0.00 0.00 0.00 178.44 179.52 1pfl h MET 11 N 0.09 0.00 0.16 1.13 2.86 -1.21 -3.28 114.93 114.67 1pfl h MET 11 Ca -0.16 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.16 1pfl h MET 11 Cb 2.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.68 1pfl h MET 11 CO 0.22 0.50 -1.59 0.00 1.06 0.00 0.00 176.91 177.10 1pfl h ALA 12 N 1.50 0.18 0.00 6.32 0.00 -0.71 -3.40 119.26 123.15 1pfl h ALA 12 Ca -0.01 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.82 1pfl h ALA 12 Cb 1.16 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1pfl h ALA 12 CO 0.07 1.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.97 1pfl n ASP 13 N -3.53 0.00 -2.13 0.00 5.68 -0.54 -4.89 116.55 111.14 1pfl n ASP 13 Ca -0.19 -0.29 -0.08 0.00 -0.50 0.00 0.00 54.79 53.73 1pfl n ASP 13 Cb 1.06 -0.11 -0.01 0.00 -1.14 0.00 0.00 41.12 40.91 1pfl n ASP 13 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pfl n GLY 14 N 0.05 -0.25 0.16 6.12 0.00 -1.26 -4.24 105.19 105.76 1pfl n GLY 14 Ca 0.11 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.73 0.00 -0.60 2.61 -1.04 -1.26 -4.95 114.28 107.31 1pfl n THR 15 Ca 0.02 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.95 1pfl n THR 15 Cb 0.26 -0.04 0.07 0.00 -1.82 0.00 0.00 70.33 68.80 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 -2.41 0.00 -3.36 0.00 -0.06 -0.27 -3.92 117.38 107.36 1pfl n GLN 17 Ca 0.04 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.90 1pfl n GLN 17 Cb 0.15 -0.18 -0.04 0.00 -4.06 0.00 0.00 30.24 26.11 1pfl n GLN 17 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1pfl n ASP 18 N -1.68 0.56 -3.64 1.69 2.03 -1.11 -4.95 116.55 109.45 1pfl n ASP 18 Ca 0.00 -2.27 -0.04 0.00 0.52 0.00 0.00 54.79 53.01 1pfl n ASP 18 Cb 0.00 0.73 -0.07 0.00 -0.72 0.00 0.00 41.12 41.07 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 -2.69 -2.24 -0.19 -1.67 0.00 -1.26 -1.03 121.76 112.67 1pfl s ALA 19 Ca 0.16 2.06 -0.04 0.00 0.00 0.00 0.00 51.96 54.14 1pfl s ALA 19 Cb 0.01 -1.68 0.08 0.00 0.00 0.00 0.00 23.12 21.52 1pfl s ALA 19 CO 0.11 -0.30 0.16 0.00 0.00 0.00 0.00 175.76 175.74 1pfl s ALA 20 N 0.94 0.04 -0.16 0.00 0.00 -0.76 -1.75 121.76 120.07 1pfl s ALA 20 Ca -0.05 0.01 -0.23 0.00 0.00 0.00 0.00 51.96 51.70 1pfl s ALA 20 Cb -0.04 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 1pfl s ALA 20 CO -0.12 -1.18 0.73 0.42 0.00 0.00 0.00 175.76 175.61 1pfl s ILE 21 N 2.24 4.97 -0.16 0.00 1.01 -0.84 -0.39 121.20 128.02 1pfl s ILE 21 Ca 0.05 1.42 -0.01 0.00 0.00 0.00 0.00 60.65 62.10 1pfl s ILE 21 Cb -0.16 -4.04 0.04 0.00 0.01 0.00 0.00 42.46 38.32 1pfl s ILE 21 CO -0.11 0.10 -0.02 -0.69 0.00 0.00 0.00 174.94 174.22 1pfl s VAL 22 N 1.81 0.85 -0.93 2.92 1.01 -0.04 -1.08 120.40 124.94 1pfl s VAL 22 Ca 0.34 -0.52 -0.26 0.00 0.00 0.00 0.00 61.98 61.55 1pfl s VAL 22 Cb -0.16 -1.12 -0.14 0.00 0.00 0.00 0.00 36.38 34.96 1pfl s VAL 22 CO 0.13 0.05 2.20 -0.83 0.00 0.00 0.00 175.10 176.64 1pfl s GLY 23 N 1.74 -0.62 -0.17 4.51 0.00 0.18 -1.57 107.32 111.38 1pfl s GLY 23 Ca 0.01 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.48 1pfl s GLY 23 CO -0.07 4.04 1.63 1.58 0.00 0.00 0.00 173.10 180.28 1pfl n TYR 24 N 17.67 1.00 0.00 1.90 4.11 -1.26 -0.74 117.16 139.83 1pfl n TYR 24 Ca 0.44 -1.26 0.00 0.00 -0.00 0.00 0.00 57.90 57.08 1pfl n TYR 24 Cb 0.45 -0.62 0.00 0.00 -0.00 0.00 0.00 39.34 39.17 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 0.33 1.59 -0.07 -3.48 4.01 -1.26 -4.80 118.16 114.48 1pfl n LYS 25 Ca 0.19 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.88 1pfl n LYS 25 Cb 0.72 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 35.19 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 -1.38 -3.81 4.39 2.03 -2.01 -3.33 116.42 112.31 1pfl h ASP 26 Ca 0.00 0.20 -0.65 0.00 -0.73 0.00 0.00 57.03 55.85 1pfl h ASP 26 Cb 0.00 0.58 -0.17 0.00 -0.83 0.00 0.00 39.33 38.91 1pfl h ASP 26 CO 0.00 -0.40 -0.44 -0.94 -1.03 0.00 0.00 179.24 176.44 1pfl s SER 27 N -4.97 6.09 0.60 4.15 1.04 -1.26 -4.99 113.70 114.35 1pfl s SER 27 Ca -0.15 -0.06 -0.12 0.00 0.48 0.00 0.00 55.95 56.11 1pfl s SER 27 Cb 0.10 -2.15 -0.05 0.00 0.10 0.00 0.00 66.02 64.03 1pfl s SER 27 CO 0.65 -0.14 1.02 -2.16 0.98 0.00 0.00 173.24 173.58 1pfl s PRO 28 N 1.84 3.65 0.09 4.02 0.04 -1.25 -4.72 135.00 138.66 1pfl s PRO 28 Ca 0.09 0.76 -0.26 0.00 0.04 0.00 0.00 61.00 61.63 1pfl s PRO 28 Cb -0.16 -2.10 0.08 0.00 0.04 0.00 0.00 34.50 32.36 1pfl s PRO 28 CO 0.11 -0.51 0.75 -1.54 0.04 0.00 0.00 177.00 175.84 1pfl s SER 29 N -4.01 -0.45 -0.62 6.66 1.04 0.08 -4.89 113.70 111.50 1pfl s SER 29 Ca 0.55 -0.04 -0.20 0.00 0.48 0.00 0.00 55.95 56.75 1pfl s SER 29 Cb -0.11 0.50 0.10 0.00 0.10 0.00 0.00 66.02 66.61 1pfl s SER 29 CO 0.50 -0.82 0.77 -0.69 0.98 0.00 0.00 173.24 173.99 1pfl s VAL 30 N -3.45 4.72 0.23 5.02 1.01 -1.26 0.49 120.40 127.16 1pfl s VAL 30 Ca 0.04 -0.90 0.21 0.00 0.00 0.00 0.00 61.98 61.33 1pfl s VAL 30 Cb -0.01 -4.54 0.19 0.00 0.00 0.00 0.00 36.38 32.02 1pfl s VAL 30 CO -0.10 -1.21 1.84 -0.50 0.00 0.00 0.00 175.10 175.13 1pfl h TRP 31 N 9.24 0.00 0.00 5.22 4.06 -1.42 -3.42 115.95 129.62 1pfl h TRP 31 Ca -0.27 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.68 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 0.88 0.28 0.00 0.00 -3.56 0.00 0.00 178.44 176.04 1pfl n ALA 32 N -2.29 0.00 -3.10 1.49 0.00 -0.72 -4.96 120.51 110.94 1pfl n ALA 32 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.12 1pfl n ALA 32 Cb 0.42 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.70 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 2.06 -0.57 0.00 0.00 -1.26 -1.99 121.76 120.00 1pfl s ALA 33 Ca 0.00 -0.93 -0.32 0.00 0.00 0.00 0.00 51.96 50.71 1pfl s ALA 33 Cb 0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 23.12 22.25 1pfl s ALA 33 CO 0.00 0.31 2.39 0.28 0.00 0.00 0.00 175.76 178.74 1pfl n VAL 34 N 3.37 0.05 -2.39 0.00 0.31 -0.72 -4.77 118.33 114.18 1pfl n VAL 34 Ca -0.19 -0.33 -0.36 0.00 -0.01 0.00 0.00 64.34 63.45 1pfl n VAL 34 Cb 0.53 -1.61 -0.02 0.00 -0.91 0.00 0.00 33.84 31.82 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 7.57 3.87 0.00 5.55 0.04 -1.26 -3.88 135.00 146.89 1pfl s PRO 35 Ca 1.14 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.80 1pfl s PRO 35 Cb -0.80 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1pfl s PRO 35 CO 0.43 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.46 1pfl n GLY 36 N 0.30 2.14 0.00 0.56 0.00 -1.26 -5.02 105.19 101.91 1pfl n GLY 36 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.43 0.00 0.00 1.61 4.76 -1.25 -5.09 118.16 117.76 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 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 0.00 0.00 -0.24 -0.18 -1.04 -1.26 -4.97 114.28 106.59 1pfl n THR 38 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 1pfl n THR 38 Cb 0.00 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 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 0.83 0.00 -1.42 -1.00 -1.89 -2.02 116.94 111.44 1pfl h PHE 39 Ca 0.00 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1pfl h PHE 39 Cb 0.00 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.28 1pfl h PHE 39 CO 0.00 0.51 0.22 -0.24 -1.61 0.00 0.00 178.31 177.19 1pfl h VAL 40 N 0.88 0.00 -0.22 -0.55 3.04 -1.86 0.30 116.25 117.85 1pfl h VAL 40 Ca 0.25 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.87 1pfl h VAL 40 Cb -0.07 0.75 -0.04 0.00 -2.01 0.00 0.00 31.29 29.92 1pfl h VAL 40 CO -0.07 0.00 0.09 0.59 -1.01 0.00 0.00 177.57 177.17 1pfl n ASN 41 N -2.90 2.76 -4.74 3.17 3.02 -0.76 -4.80 115.26 111.02 1pfl n ASN 41 Ca -0.02 -2.36 -0.41 0.00 -0.03 0.00 0.00 54.58 51.76 1pfl n ASN 41 Cb 0.27 -0.57 -0.04 0.00 -0.61 0.00 0.00 39.78 38.83 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 -1.24 3.81 0.39 2.41 1.01 0.11 -4.33 121.20 123.36 1pfl s ILE 42 Ca 0.16 1.57 0.02 0.00 0.00 0.00 0.00 60.65 62.40 1pfl s ILE 42 Cb 0.13 -4.00 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 1pfl s ILE 42 CO 0.04 0.27 0.07 0.35 0.00 0.00 0.00 174.94 175.67 1pfl n THR 43 N 2.33 0.00 1.06 2.92 -2.24 -1.26 -4.73 114.28 112.36 1pfl n THR 43 Ca 0.03 -2.06 0.09 0.00 -2.27 0.00 0.00 64.05 59.84 1pfl n THR 43 Cb 0.46 0.59 0.51 0.00 -2.10 0.00 0.00 70.33 69.79 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 -0.92 0.50 -0.03 -0.78 -0.04 -1.26 -1.77 135.00 130.69 1pfl n PRO 44 Ca -0.11 0.02 -0.01 0.00 -0.04 0.00 0.00 63.50 63.37 1pfl n PRO 44 Cb 0.54 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 3.06 0.00 -0.54 0.55 0.00 -1.95 0.50 119.26 120.88 1pfl h ALA 45 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1pfl h ALA 45 Cb 0.03 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1pfl h ALA 45 CO 0.00 0.08 0.24 1.05 0.00 0.00 0.00 179.25 180.62 1pfl h GLU 46 N -0.60 0.76 0.00 0.00 9.09 -1.77 0.23 114.58 122.29 1pfl h GLU 46 Ca 0.00 -0.10 -0.06 0.00 0.05 0.00 0.00 59.36 59.25 1pfl h GLU 46 Cb 0.08 -0.14 -0.01 0.00 -1.65 0.00 0.00 28.75 27.03 1pfl h GLU 46 CO 0.00 0.61 -0.29 0.28 0.05 0.00 0.00 179.01 179.66 1pfl h VAL 47 N 0.76 0.52 0.00 -1.06 2.07 -1.50 -2.21 116.25 114.83 1pfl h VAL 47 Ca 0.19 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.00 1pfl h VAL 47 Cb 0.12 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1pfl h VAL 47 CO -0.02 0.29 -0.13 1.23 0.02 0.00 0.00 177.57 178.96 1pfl h GLY 48 N 3.56 0.00 0.00 2.17 0.00 0.21 0.06 103.07 109.07 1pfl h GLY 48 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 1pfl h GLY 48 CO 0.04 0.00 -2.37 1.55 0.00 0.00 0.00 176.54 175.76 1pfl n VAL 49 N -4.06 1.34 0.50 4.60 3.14 -1.02 -0.64 118.33 122.18 1pfl n VAL 49 Ca -0.02 -0.85 0.12 0.00 -2.96 0.00 0.00 64.34 60.63 1pfl n VAL 49 Cb 0.21 -0.45 0.46 0.00 -1.06 0.00 0.00 33.84 33.00 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 -2.73 0.66 0.00 6.55 4.77 -0.84 -4.27 117.00 121.14 1pfl n LEU 50 Ca -0.32 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1pfl n LEU 50 Cb 1.14 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1pfl n LEU 50 CO 0.43 -0.40 0.00 1.33 -1.33 0.00 0.00 177.39 177.41 1pfl n VAL 51 N -2.18 0.00 -0.86 4.08 0.24 -0.01 -5.03 118.33 114.56 1pfl n VAL 51 Ca 0.03 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.99 1pfl n VAL 51 Cb 0.29 0.00 0.09 0.00 -1.47 0.00 0.00 33.84 32.76 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 0.02 -2.95 0.00 7.63 0.00 0.19 -4.81 105.19 105.26 1pfl n GLY 52 Ca 0.00 -0.75 0.08 0.00 0.00 0.00 0.00 46.02 45.35 1pfl n GLY 52 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1pfl n LYS 53 N -0.21 0.28 -0.03 1.61 -0.00 -1.26 -4.92 118.16 113.63 1pfl n LYS 53 Ca 0.03 0.11 -0.01 0.00 -0.00 0.00 0.00 58.31 58.44 1pfl n LYS 53 Cb 0.55 -1.50 -0.00 0.00 -0.00 0.00 0.00 35.03 34.08 1pfl n LYS 53 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1pfl n ASP 54 N -1.24 0.01 -0.13 -5.58 2.03 -1.26 -4.86 116.55 105.52 1pfl n ASP 54 Ca 0.09 0.02 0.13 0.00 0.52 0.00 0.00 54.79 55.55 1pfl n ASP 54 Cb 0.12 -0.02 0.35 0.00 -0.72 0.00 0.00 41.12 40.84 1pfl n ASP 54 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1pfl n ARG 55 N 0.05 0.47 0.00 -0.67 1.85 -1.26 -4.88 116.66 112.22 1pfl n ARG 55 Ca 0.01 -0.27 0.00 0.00 -1.00 0.00 0.00 57.85 56.59 1pfl n ARG 55 Cb 0.00 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 29.92 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 -1.03 0.00 0.00 2.89 2.88 -1.26 -5.09 113.62 112.01 1pfl n SER 56 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1pfl n SER 56 Cb 0.34 0.23 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1pfl n SER 56 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1pfl n SER 57 N -2.21 0.00 -0.23 -3.46 3.41 -1.26 -2.50 113.62 107.37 1pfl n SER 57 Ca 0.00 0.00 0.26 0.00 -0.26 0.00 0.00 58.87 58.87 1pfl n SER 57 Cb 0.00 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.35 1pfl n SER 57 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1pfl n PHE 58 N 0.00 0.00 0.07 7.33 1.16 -1.26 -1.62 117.46 123.14 1pfl n PHE 58 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.59 1pfl n PHE 58 Cb 0.00 -0.24 0.04 0.00 -1.61 0.00 0.00 39.48 37.66 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 -3.02 0.00 0.00 2.97 4.01 -1.04 -1.85 117.16 118.22 1pfl n TYR 59 Ca 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 1pfl n TYR 59 Cb 1.36 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 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 -1.30 0.00 -0.03 -0.72 0.24 -0.64 -4.85 118.33 111.03 1pfl n VAL 60 Ca 0.01 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.16 1pfl n VAL 60 Cb 0.01 -0.54 -0.14 0.00 -1.47 0.00 0.00 33.84 31.70 1pfl n VAL 60 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1pfl n ASN 61 N -1.39 1.38 0.00 -1.34 0.23 -1.13 -4.97 115.26 108.03 1pfl n ASN 61 Ca 0.00 0.24 0.00 0.00 -0.53 0.00 0.00 54.58 54.29 1pfl n ASN 61 Cb 0.28 -0.30 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 1pfl n ASN 61 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pfl n GLY 62 N 1.81 3.41 0.00 4.83 0.00 -0.77 -4.76 105.19 109.72 1pfl n GLY 62 Ca -0.27 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 0.11 -4.77 117.00 114.46 1pfl n LEU 63 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1pfl n LEU 63 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1pfl n LEU 63 CO 0.00 0.00 0.39 0.42 -1.33 0.00 0.00 177.39 176.87 1pfl s THR 64 N 0.78 0.00 -0.27 -5.08 -4.23 -1.26 -2.02 115.64 103.56 1pfl s THR 64 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.48 1pfl s THR 64 Cb 0.00 -1.00 0.09 0.00 1.34 0.00 0.00 72.50 72.93 1pfl s THR 64 CO 0.00 0.00 0.09 -1.48 -0.54 0.00 0.00 174.62 172.69 1pfl s LEU 65 N 1.15 1.30 -0.37 4.79 0.05 -0.83 -4.35 118.68 120.43 1pfl s LEU 65 Ca -0.06 -1.27 0.00 0.00 0.05 0.00 0.00 54.13 52.85 1pfl s LEU 65 Cb -0.05 -0.59 0.00 0.00 -2.05 0.00 0.00 46.19 43.50 1pfl s LEU 65 CO -0.12 -0.39 0.00 0.61 -0.55 0.00 0.00 176.35 175.90 1pfl n GLY 66 N 5.06 0.20 1.94 -3.48 0.00 -1.25 -2.61 105.19 105.05 1pfl n GLY 66 Ca -0.05 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.02 0.50 3.19 -0.02 0.00 -1.26 -4.90 105.19 101.67 1pfl n GLY 67 Ca -0.05 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.30 2.33 -0.06 1.61 2.00 -1.07 -5.05 119.66 119.12 1pfl s GLN 68 Ca 0.00 -1.69 -0.31 0.00 -2.00 0.00 0.00 55.36 51.37 1pfl s GLN 68 Cb 0.00 -3.73 -0.09 0.00 0.80 0.00 0.00 33.01 29.99 1pfl s GLN 68 CO 0.00 -1.06 2.03 1.17 -0.50 0.00 0.00 175.29 176.92 1pfl n LYS 69 N 4.78 2.47 -3.76 1.67 4.81 -1.26 -1.95 118.16 124.92 1pfl n LYS 69 Ca -0.07 0.86 -0.24 0.00 -0.87 0.00 0.00 58.31 57.99 1pfl n LYS 69 Cb 0.42 -2.98 -0.01 0.00 0.02 0.00 0.00 35.03 32.48 1pfl n LYS 69 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pfl s SER 71 N -4.25 3.53 -0.25 0.00 1.04 0.04 -0.71 113.70 113.11 1pfl s SER 71 Ca 0.40 -1.21 -0.40 0.00 0.48 0.00 0.00 55.95 55.22 1pfl s SER 71 Cb -0.02 -0.82 -0.16 0.00 0.10 0.00 0.00 66.02 65.11 1pfl s SER 71 CO 0.24 -0.33 1.65 0.52 0.98 0.00 0.00 173.24 176.30 1pfl n VAL 72 N 4.89 0.22 -3.52 5.02 0.31 -1.26 -1.86 118.33 122.13 1pfl n VAL 72 Ca -0.07 -0.04 -0.27 0.00 -0.01 0.00 0.00 64.34 63.95 1pfl n VAL 72 Cb 0.45 -1.05 -0.10 0.00 -0.91 0.00 0.00 33.84 32.23 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 4.15 0.72 0.00 2.52 5.41 0.30 -4.81 119.36 127.65 1pfl n ILE 73 Ca 0.26 -4.47 0.00 0.00 1.00 0.00 0.00 62.75 59.54 1pfl n ILE 73 Cb 0.11 -2.00 0.00 0.00 -0.71 0.00 0.00 39.64 37.05 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 1.75 0.00 -2.25 0.38 3.00 -1.26 -3.45 116.66 114.83 1pfl n ARG 74 Ca 0.25 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.67 1pfl n ARG 74 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.87 1pfl n ARG 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1pfl s ASP 75 N -0.19 6.33 0.00 6.15 -1.08 -1.26 -3.33 116.67 123.29 1pfl s ASP 75 Ca 0.00 1.17 0.00 0.00 -0.52 0.00 0.00 52.55 53.20 1pfl s ASP 75 Cb 0.00 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 1pfl s ASP 75 CO 0.00 -1.38 0.22 -0.24 0.52 0.00 0.00 175.17 174.29 1pfl n SER 76 N 8.78 0.43 -0.60 -0.34 2.88 0.36 -4.83 113.62 120.30 1pfl n SER 76 Ca 0.18 -1.01 0.48 0.00 -1.33 0.00 0.00 58.87 57.19 1pfl n SER 76 Cb 0.47 0.00 0.79 0.00 -0.75 0.00 0.00 64.21 64.72 1pfl n SER 76 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1pfl h LEU 77 N 0.00 0.00 -9.14 2.46 5.85 -1.64 0.41 115.31 113.25 1pfl h LEU 77 Ca 0.00 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 58.12 1pfl h LEU 77 Cb 0.30 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.21 1pfl h LEU 77 CO 0.00 0.00 -0.27 -0.76 -0.34 0.00 0.00 178.44 177.07 1pfl s LEU 78 N -7.91 4.15 -0.28 2.25 1.43 -1.26 -4.12 118.68 112.95 1pfl s LEU 78 Ca -0.05 0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 53.38 1pfl s LEU 78 Cb 0.25 -2.43 -0.11 0.00 0.03 0.00 0.00 46.19 43.93 1pfl s LEU 78 CO 0.86 -0.04 1.26 0.00 0.23 0.00 0.00 176.35 178.66 1pfl n GLN 79 N 4.39 0.02 -0.96 1.70 10.64 -1.25 -4.12 117.38 127.79 1pfl n GLN 79 Ca -0.10 -0.57 -0.02 0.00 -1.83 0.00 0.00 57.00 54.48 1pfl n GLN 79 Cb 0.51 -1.96 0.33 0.00 -0.86 0.00 0.00 30.24 28.27 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 8.89 5.02 0.00 2.61 2.03 -1.26 -4.76 116.55 129.09 1pfl n ASP 80 Ca 0.17 -3.15 0.00 0.00 0.52 0.00 0.00 54.79 52.33 1pfl n ASP 80 Cb 0.43 -0.72 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 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 0.03 1.65 2.08 0.27 0.00 -1.26 -4.96 105.19 102.99 1pfl n GLY 81 Ca 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.17 0.00 -4.07 1.61 4.71 -1.26 -5.05 120.64 115.42 1pfl n GLU 82 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.16 56.85 1pfl n GLU 82 Cb 0.06 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.45 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 -2.91 -1.51 -3.78 -0.32 -1.74 0.14 -4.88 117.46 102.46 1pfl n PHE 83 Ca 0.00 0.61 -0.13 0.00 -0.56 0.00 0.00 57.45 57.38 1pfl n PHE 83 Cb 0.00 -3.31 -0.13 0.00 1.52 0.00 0.00 39.48 37.56 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 -4.23 -0.19 -0.03 5.98 1.04 -0.96 -2.55 113.70 112.75 1pfl s SER 84 Ca 0.08 0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.91 1pfl s SER 84 Cb -0.04 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.46 1pfl s SER 84 CO 0.93 -0.10 -0.01 -0.32 0.98 0.00 0.00 173.24 174.72 1pfl s MET 85 N 0.50 0.36 -1.18 4.02 1.75 -0.03 -0.49 119.30 124.23 1pfl s MET 85 Ca -0.03 0.01 -0.10 0.00 -1.25 0.00 0.00 55.69 54.32 1pfl s MET 85 Cb -0.05 -0.48 0.22 0.00 2.84 0.00 0.00 34.83 37.37 1pfl s MET 85 CO -0.02 -0.08 1.47 -0.25 -0.65 0.00 0.00 175.02 175.48 1pfl n ASP 86 N 3.87 5.48 -4.51 1.11 9.92 -1.21 -1.20 116.55 130.01 1pfl n ASP 86 Ca -0.24 -3.10 -0.43 0.00 -0.53 0.00 0.00 54.79 50.49 1pfl n ASP 86 Cb 0.52 -1.45 -0.08 0.00 -0.64 0.00 0.00 41.12 39.48 1pfl n ASP 86 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 1pfl s LEU 87 N -0.31 4.59 -0.08 0.64 -0.00 -0.17 0.11 118.68 123.45 1pfl s LEU 87 Ca 0.37 -0.39 0.00 0.00 -0.00 0.00 0.00 54.13 54.11 1pfl s LEU 87 Cb -0.00 -2.58 -0.03 0.00 -0.00 0.00 0.00 46.19 43.58 1pfl s LEU 87 CO 0.00 -0.64 -0.07 0.00 -0.00 0.00 0.00 176.35 175.63 1pfl s ARG 88 N 2.48 2.92 -0.72 1.48 1.70 -0.78 -1.90 118.95 124.14 1pfl s ARG 88 Ca 0.18 -0.56 -0.26 0.00 -0.47 0.00 0.00 55.73 54.62 1pfl s ARG 88 Cb -0.15 -2.63 -0.09 0.00 -0.57 0.00 0.00 34.95 31.50 1pfl s ARG 88 CO 0.16 0.56 2.28 0.95 -1.08 0.00 0.00 175.30 178.17 1pfl s THR 89 N -0.54 3.12 0.80 4.99 -4.23 0.17 -0.78 115.64 119.18 1pfl s THR 89 Ca 0.08 -0.05 -0.12 0.00 -1.18 0.00 0.00 61.69 60.42 1pfl s THR 89 Cb -0.12 -3.28 0.08 0.00 1.34 0.00 0.00 72.50 70.51 1pfl s THR 89 CO 0.02 -0.27 1.14 -0.54 -0.54 0.00 0.00 174.62 174.43 1pfl s LYS 90 N 8.23 2.02 0.51 3.99 1.02 -1.26 -1.34 119.74 132.91 1pfl s LYS 90 Ca 0.87 0.30 0.03 0.00 0.02 0.00 0.00 55.97 57.19 1pfl s LYS 90 Cb -0.13 -1.94 -0.00 0.00 -0.52 0.00 0.00 37.83 35.24 1pfl s LYS 90 CO 0.12 -1.59 0.12 0.45 -0.92 0.00 0.00 175.35 173.53 1pfl s SER 91 N -4.33 4.28 -0.36 2.83 0.15 -1.26 -4.81 113.70 110.19 1pfl s SER 91 Ca 0.61 -1.51 0.01 0.00 0.70 0.00 0.00 55.95 55.76 1pfl s SER 91 Cb -0.12 0.44 0.15 0.00 -1.71 0.00 0.00 66.02 64.77 1pfl s SER 91 CO 0.51 -0.90 0.26 0.42 1.20 0.00 0.00 173.24 174.73 1pfl s THR 92 N -2.83 0.07 -0.15 6.45 -4.23 -1.26 -4.95 115.64 108.73 1pfl s THR 92 Ca 0.16 -1.71 -0.06 0.00 -1.18 0.00 0.00 61.69 58.90 1pfl s THR 92 Cb 0.01 -1.05 0.02 0.00 1.34 0.00 0.00 72.50 72.82 1pfl s THR 92 CO 0.09 -0.95 0.11 0.61 -0.54 0.00 0.00 174.62 173.94 1pfl n GLY 93 N 3.90 -3.24 0.90 3.99 0.00 -1.26 -4.22 105.19 105.27 1pfl n GLY 93 Ca 0.14 0.91 0.00 0.00 0.00 0.00 0.00 46.02 47.07 1pfl n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pfl n GLY 94 N 1.65 1.88 3.94 -0.02 0.00 -1.26 -5.06 105.19 106.31 1pfl n GLY 94 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.35 3.64 0.23 4.61 0.00 -1.26 -5.10 121.76 121.53 1pfl s ALA 95 Ca 0.00 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 1pfl s ALA 95 Cb 0.00 -2.26 -0.06 0.00 0.00 0.00 0.00 23.12 20.80 1pfl s ALA 95 CO 0.00 -0.52 0.50 -1.25 0.00 0.00 0.00 175.76 174.48 1pfl s PRO 96 N -4.69 3.68 0.42 0.00 0.04 -1.26 -4.63 135.00 128.55 1pfl s PRO 96 Ca 0.50 0.05 0.07 0.00 0.04 0.00 0.00 61.00 61.66 1pfl s PRO 96 Cb -0.10 -2.71 -0.06 0.00 0.04 0.00 0.00 34.50 31.67 1pfl s PRO 96 CO 0.40 0.33 0.12 0.95 0.04 0.00 0.00 177.00 178.84 1pfl s THR 97 N -1.87 2.14 0.01 1.26 -4.23 -1.26 -4.20 115.64 107.49 1pfl s THR 97 Ca 0.44 -1.81 -0.23 0.00 -1.18 0.00 0.00 61.69 58.91 1pfl s THR 97 Cb -0.11 -2.95 0.05 0.00 1.34 0.00 0.00 72.50 70.83 1pfl s THR 97 CO 0.26 0.00 0.51 -0.36 -0.54 0.00 0.00 174.62 174.49 1pfl s PHE 98 N -2.65 -0.43 0.03 3.99 0.08 -0.45 -4.71 117.98 113.84 1pfl s PHE 98 Ca 0.38 0.58 0.07 0.00 0.12 0.00 0.00 56.93 58.08 1pfl s PHE 98 Cb 0.06 0.30 -0.02 0.00 -0.57 0.00 0.00 43.02 42.79 1pfl s PHE 98 CO 0.20 -0.58 -0.22 -0.80 -0.10 0.00 0.00 175.22 173.72 1pfl s ASN 99 N -1.66 2.61 -0.02 1.36 -0.87 -0.84 0.42 114.94 115.95 1pfl s ASN 99 Ca -0.08 -0.50 0.02 0.00 -1.57 0.00 0.00 52.86 50.72 1pfl s ASN 99 Cb -0.01 -0.24 0.00 0.00 -0.02 0.00 0.00 41.25 40.98 1pfl s ASN 99 CO 0.02 0.20 -0.07 -0.69 -2.57 0.00 0.00 177.10 174.00 1pfl s VAL 100 N -0.73 0.60 -0.19 1.60 1.01 -0.80 -0.27 120.40 121.63 1pfl s VAL 100 Ca 0.08 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 1pfl s VAL 100 Cb -0.09 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 1pfl s VAL 100 CO 0.01 0.19 -0.07 -0.89 0.00 0.00 0.00 175.10 174.35 1pfl s THR 101 N 0.14 3.37 -0.17 3.92 2.01 -0.14 -1.00 115.64 123.76 1pfl s THR 101 Ca -0.02 -0.52 -0.01 0.00 0.31 0.00 0.00 61.69 61.46 1pfl s THR 101 Cb -0.07 -2.49 -0.00 0.00 0.01 0.00 0.00 72.50 69.95 1pfl s THR 101 CO -0.00 0.46 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.58 1pfl s VAL 102 N 1.00 2.87 0.42 3.82 1.01 -0.34 -0.09 120.40 129.09 1pfl s VAL 102 Ca -0.00 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.36 1pfl s VAL 102 Cb -0.15 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1pfl s VAL 102 CO -0.00 0.50 0.30 0.42 0.00 0.00 0.00 175.10 176.32 1pfl s THR 103 N 0.89 2.51 -0.03 3.92 -4.23 0.12 -0.85 115.64 117.96 1pfl s THR 103 Ca -0.03 -1.49 -0.05 0.00 -1.18 0.00 0.00 61.69 58.94 1pfl s THR 103 Cb -0.15 -2.99 0.01 0.00 1.34 0.00 0.00 72.50 70.71 1pfl s THR 103 CO -0.01 0.00 0.13 -0.75 -0.54 0.00 0.00 174.62 173.45 1pfl s LYS 104 N -4.04 0.25 0.00 3.99 2.47 -1.06 -1.80 119.74 119.56 1pfl s LYS 104 Ca 0.45 -0.01 0.00 0.00 -1.56 0.00 0.00 55.97 54.85 1pfl s LYS 104 Cb -0.00 0.11 0.00 0.00 -1.46 0.00 0.00 37.83 36.48 1pfl s LYS 104 CO 0.26 -0.05 0.00 0.25 0.16 0.00 0.00 175.35 175.97 1pfl n THR 105 N 2.52 0.00 0.32 3.43 -2.24 -0.96 -4.82 114.28 112.53 1pfl n THR 105 Ca -0.16 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.73 1pfl n THR 105 Cb 0.58 0.00 -0.14 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 0.35 -0.62 3.42 -0.08 -0.93 -4.60 116.55 114.09 1pfl n ASP 106 Ca 0.00 -0.30 0.00 0.00 -1.51 0.00 0.00 54.79 52.98 1pfl n ASP 106 Cb 0.00 1.60 -0.00 0.00 2.34 0.00 0.00 41.12 45.06 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 -2.03 0.00 -3.84 -0.67 5.02 -1.18 -5.10 118.16 110.36 1pfl n LYS 107 Ca -0.01 -0.79 -0.11 0.00 -2.02 0.00 0.00 58.31 55.38 1pfl n LYS 107 Cb 0.49 -0.25 -0.09 0.00 -0.02 0.00 0.00 35.03 35.17 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 0.10 -0.46 -0.18 -4.23 -1.26 -4.44 115.64 105.17 1pfl s THR 108 Ca 0.03 -0.82 0.04 0.00 -1.18 0.00 0.00 61.69 59.76 1pfl s THR 108 Cb 0.04 -0.80 0.12 0.00 1.34 0.00 0.00 72.50 73.20 1pfl s THR 108 CO -0.02 -0.45 0.19 -0.22 -0.54 0.00 0.00 174.62 173.58 1pfl s LEU 109 N -1.89 4.49 0.23 4.79 0.20 -0.61 -2.27 118.68 123.61 1pfl s LEU 109 Ca -0.08 -2.71 -0.19 0.00 0.69 0.00 0.00 54.13 51.85 1pfl s LEU 109 Cb -0.03 -1.64 -0.08 0.00 -0.43 0.00 0.00 46.19 44.01 1pfl s LEU 109 CO -0.02 -0.29 0.71 -0.69 -0.29 0.00 0.00 176.35 175.77 1pfl s VAL 110 N 0.14 4.61 0.09 1.68 1.01 -0.74 -0.86 120.40 126.33 1pfl s VAL 110 Ca 0.15 1.19 0.04 0.00 0.00 0.00 0.00 61.98 63.37 1pfl s VAL 110 Cb -0.23 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1pfl s VAL 110 CO -0.03 0.16 -0.12 -0.76 0.00 0.00 0.00 175.10 174.36 1pfl s LEU 111 N -2.09 2.36 -0.28 3.92 1.43 0.47 -0.70 118.68 123.79 1pfl s LEU 111 Ca 0.44 -0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1pfl s LEU 111 Cb -0.16 -0.40 0.09 0.00 0.03 0.00 0.00 46.19 45.75 1pfl s LEU 111 CO 0.20 -0.19 0.06 -0.22 0.23 0.00 0.00 176.35 176.44 1pfl s LEU 112 N -2.22 2.26 0.21 1.79 1.98 0.87 -1.83 118.68 121.75 1pfl s LEU 112 Ca 0.03 -1.47 -0.11 0.00 -2.89 0.00 0.00 54.13 49.69 1pfl s LEU 112 Cb -0.06 -0.91 -0.07 0.00 0.66 0.00 0.00 46.19 45.81 1pfl s LEU 112 CO 0.01 -0.37 0.56 -0.32 -1.89 0.00 0.00 176.35 174.34 1pfl s MET 113 N 1.58 3.87 0.01 1.98 -2.45 -0.20 -0.97 119.30 123.13 1pfl s MET 113 Ca 0.06 0.37 -0.06 0.00 -1.25 0.00 0.00 55.69 54.81 1pfl s MET 113 Cb -0.18 -2.73 -0.00 0.00 1.25 0.00 0.00 34.83 33.18 1pfl s MET 113 CO -0.19 0.36 0.11 0.20 1.05 0.00 0.00 175.02 176.55 1pfl s GLY 114 N -2.14 0.09 0.20 2.11 0.00 0.63 -1.11 107.32 107.10 1pfl s GLY 114 Ca 0.45 -0.25 0.02 0.00 0.00 0.00 0.00 44.72 44.93 1pfl s GLY 114 CO 0.20 -0.38 0.03 0.54 0.00 0.00 0.00 173.10 173.49 1pfl s LYS 115 N -1.56 1.21 0.00 2.90 1.02 -1.18 -1.98 119.74 120.16 1pfl s LYS 115 Ca -0.14 -1.61 0.00 0.00 0.02 0.00 0.00 55.97 54.24 1pfl s LYS 115 Cb -0.07 -0.31 0.00 0.00 -0.52 0.00 0.00 37.83 36.93 1pfl s LYS 115 CO 0.00 -0.17 0.00 -1.91 -0.92 0.00 0.00 175.35 172.36 1pfl n GLU 116 N -0.32 0.00 -1.05 1.68 4.07 -1.26 -3.05 120.64 120.71 1pfl n GLU 116 Ca -0.05 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.04 1pfl n GLU 116 Cb 0.64 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 32.01 1pfl n GLU 116 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1pfl n GLY 117 N 0.00 0.53 3.29 8.31 0.00 -1.26 -4.83 105.19 111.22 1pfl n GLY 117 Ca 0.00 -0.35 -0.45 0.00 0.00 0.00 0.00 46.02 45.23 1pfl n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfl s VAL 118 N -1.94 5.04 0.06 1.61 0.11 -1.17 -4.65 120.40 119.46 1pfl s VAL 118 Ca 0.00 -1.76 -0.09 0.00 -2.93 0.00 0.00 61.98 57.20 1pfl s VAL 118 Cb 0.00 -4.22 -0.30 0.00 -1.53 0.00 0.00 36.38 30.32 1pfl s VAL 118 CO 0.00 -0.88 1.10 -0.74 -3.33 0.00 0.00 175.10 171.26 1pfl h HIS 119 N 8.57 0.72 0.00 1.54 2.76 -1.91 -3.45 115.15 123.38 1pfl h HIS 119 Ca -0.21 -0.51 0.00 0.00 -2.20 0.00 0.00 60.37 57.45 1pfl h HIS 119 Cb 1.08 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.00 1pfl h HIS 119 CO 0.76 1.39 0.00 0.41 -1.30 0.00 0.00 177.93 179.19 1pfl n GLY 120 N 1.54 3.42 0.09 5.26 0.00 -1.26 -4.88 105.19 109.36 1pfl n GLY 120 Ca -0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 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 1.54 -0.02 0.00 -1.98 -2.36 103.07 100.25 1pfl h GLY 121 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1pfl h GLY 121 CO 0.00 0.00 -1.32 1.41 0.00 0.00 0.00 176.54 176.63 1pfl h LEU 122 N 0.00 0.09 -0.42 3.11 3.38 -1.99 -2.34 115.31 117.15 1pfl h LEU 122 Ca -0.16 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.51 1pfl h LEU 122 Cb 1.69 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.40 1pfl h LEU 122 CO 0.06 1.10 -0.64 0.40 0.09 0.00 0.00 178.44 179.45 1pfl h ILE 123 N 0.02 1.33 0.00 1.22 2.04 -1.96 -0.49 117.51 119.66 1pfl h ILE 123 Ca -0.14 -1.93 -0.05 0.00 1.00 0.00 0.00 64.86 63.73 1pfl h ILE 123 Cb 1.90 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.88 1pfl h ILE 123 CO 0.12 0.60 -0.24 -1.13 0.00 0.00 0.00 178.15 177.51 1pfl h ASN 124 N 0.41 0.00 0.66 1.72 -1.24 -1.40 0.43 115.58 116.15 1pfl h ASN 124 Ca -0.01 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.74 1pfl h ASN 124 Cb 1.21 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.26 1pfl h ASN 124 CO 0.12 0.24 -1.18 0.07 -1.29 0.00 0.00 177.43 175.38 1pfl h LYS 125 N 0.00 0.24 0.00 6.67 5.09 -0.87 -2.85 116.57 124.85 1pfl h LYS 125 Ca -0.00 -0.39 0.00 0.00 0.09 0.00 0.00 60.65 60.34 1pfl h LYS 125 Cb 0.45 0.14 0.00 0.00 0.10 0.00 0.00 32.23 32.92 1pfl h LYS 125 CO 0.03 1.18 -0.20 1.63 -2.09 0.00 0.00 179.45 180.00 1pfl n LYS 126 N -3.52 0.13 0.03 0.07 5.02 -0.24 -2.58 118.16 117.06 1pfl n LYS 126 Ca -0.07 0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.18 1pfl n LYS 126 Cb 1.00 -1.62 -0.14 0.00 -0.02 0.00 0.00 35.03 34.25 1pfl n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pfl h TYR 128 N 0.03 0.67 0.05 0.00 5.03 -1.44 -1.48 116.97 119.84 1pfl h TYR 128 Ca -0.22 -0.11 -0.23 0.00 2.58 0.00 0.00 58.73 60.75 1pfl h TYR 128 Cb 1.96 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 40.06 1pfl h TYR 128 CO 0.03 0.71 -1.03 0.93 -1.32 0.00 0.00 178.16 177.47 1pfl h GLU 129 N 0.57 0.22 -0.61 1.82 5.08 -1.48 0.25 114.58 120.43 1pfl h GLU 129 Ca 0.10 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1pfl h GLU 129 Cb 0.52 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1pfl h GLU 129 CO 0.03 1.07 0.25 1.98 -1.00 0.00 0.00 179.01 181.35 1pfl h MET 130 N 0.09 0.90 0.00 2.33 4.05 -0.95 -1.23 114.93 120.12 1pfl h MET 130 Ca -0.07 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.19 1pfl h MET 130 Cb 1.72 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 32.37 1pfl h MET 130 CO 0.16 0.76 -0.19 0.00 0.23 0.00 0.00 176.91 177.87 1pfl h ALA 131 N 1.10 0.89 -0.39 0.39 0.00 -1.28 -3.12 119.26 116.85 1pfl h ALA 131 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1pfl h ALA 131 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1pfl h ALA 131 CO -0.02 0.00 0.18 0.77 0.00 0.00 0.00 179.25 180.18 1pfl h SER 132 N 0.00 0.48 0.21 0.00 0.02 0.73 0.35 113.55 115.34 1pfl h SER 132 Ca 0.00 -0.04 -0.31 0.00 -0.84 0.00 0.00 61.79 60.60 1pfl h SER 132 Cb 0.82 -0.12 0.03 0.00 0.14 0.00 0.00 62.40 63.27 1pfl h SER 132 CO 0.00 0.42 -1.30 -0.74 -1.14 0.00 0.00 176.83 174.06 1pfl h HIS 133 N 0.54 0.96 0.00 3.45 2.76 -1.45 -1.85 115.15 119.57 1pfl h HIS 133 Ca 0.14 -0.64 0.00 0.00 -2.20 0.00 0.00 60.37 57.67 1pfl h HIS 133 Cb 0.07 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1pfl h HIS 133 CO 0.00 1.48 0.00 1.28 -1.30 0.00 0.00 177.93 179.39 1pfl n LEU 134 N -3.75 0.05 -0.02 0.26 4.32 -0.53 0.14 117.00 117.47 1pfl n LEU 134 Ca -0.14 0.51 -0.18 0.00 -0.02 0.00 0.00 56.01 56.19 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 -0.84 0.54 -1.22 0.00 0.00 177.39 176.14 1pfl n ARG 135 N -1.56 0.72 0.00 3.23 5.12 0.11 -3.51 116.66 120.77 1pfl n ARG 135 Ca 0.03 0.24 0.15 0.00 -1.93 0.00 0.00 57.85 56.34 1pfl n ARG 135 Cb 0.15 -1.69 0.79 0.00 -1.16 0.00 0.00 32.46 30.55 1pfl n ARG 135 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1pfl n ARG 136 N -3.33 0.68 0.10 5.56 5.12 -0.53 -2.85 116.66 121.41 1pfl n ARG 136 Ca -0.31 -0.06 0.13 0.00 -1.93 0.00 0.00 57.85 55.68 1pfl n ARG 136 Cb 1.05 -1.50 0.31 0.00 -1.16 0.00 0.00 32.46 31.15 1pfl n ARG 136 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1pfl h SER 137 N 0.14 0.00 -2.32 0.55 4.64 0.12 -3.48 113.55 113.20 1pfl h SER 137 Ca 0.00 -0.07 -0.18 0.00 -0.47 0.00 0.00 61.79 61.07 1pfl h SER 137 Cb 0.21 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.33 1pfl h SER 137 CO 0.00 0.03 -0.28 0.00 -0.87 0.00 0.00 176.83 175.72 1pfl n GLN 138 N -2.29 -2.26 0.00 4.77 6.02 -1.13 -5.06 117.38 117.43 1pfl n GLN 138 Ca 0.05 0.42 0.09 0.00 -0.01 0.00 0.00 57.00 57.54 1pfl n GLN 138 Cb 0.44 -4.25 0.08 0.00 1.02 0.00 0.00 30.24 27.53 1pfl n GLN 138 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71