#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 -0.43 0.24 0.00 0.00 -1.26 -4.93 105.19 98.81 1pfl n GLY 2 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.06 -0.12 1.61 -0.00 -2.00 0.62 115.95 116.01 1pfl h TRP 3 Ca 0.00 0.05 0.03 0.00 -0.00 0.00 0.00 58.89 58.97 1pfl h TRP 3 Cb 0.00 0.13 -0.00 0.00 -0.00 0.00 0.00 29.16 29.28 1pfl h TRP 3 CO 0.00 -0.18 0.11 -2.95 -0.00 0.00 0.00 178.44 175.41 1pfl h ASN 4 N 0.11 0.00 -0.15 -3.49 7.08 -1.93 -0.01 115.58 117.19 1pfl h ASN 4 Ca 0.34 0.00 -0.17 0.00 -3.08 0.00 0.00 56.30 53.38 1pfl h ASN 4 Cb 0.55 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.79 1pfl h ASN 4 CO -0.56 0.00 -0.54 0.00 -2.08 0.00 0.00 177.43 174.25 1pfl h ALA 5 N 1.89 0.58 0.00 4.14 0.00 -1.24 0.40 119.26 125.03 1pfl h ALA 5 Ca 0.05 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1pfl h ALA 5 Cb 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1pfl h ALA 5 CO -0.00 0.68 0.00 0.66 0.00 0.00 0.00 179.25 180.59 1pfl n TYR 6 N -3.99 0.21 0.02 0.00 4.01 -0.12 -0.42 117.16 116.87 1pfl n TYR 6 Ca -0.04 0.07 -0.01 0.00 -0.16 0.00 0.00 57.90 57.76 1pfl n TYR 6 Cb 0.61 -0.62 -0.09 0.00 -0.31 0.00 0.00 39.34 38.93 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 -1.68 1.22 0.41 -0.72 2.08 -0.60 -3.36 119.36 116.72 1pfl n ILE 7 Ca 0.05 -0.71 0.10 0.00 0.56 0.00 0.00 62.75 62.75 1pfl n ILE 7 Cb 0.27 -0.75 0.44 0.00 -0.75 0.00 0.00 39.64 38.84 1pfl n ILE 7 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1pfl n ASP 8 N -2.89 0.46 0.19 4.38 8.00 0.13 -2.39 116.55 124.45 1pfl n ASP 8 Ca -0.11 0.62 -0.15 0.00 0.71 0.00 0.00 54.79 55.86 1pfl n ASP 8 Cb 0.87 -0.72 -0.07 0.00 -0.02 0.00 0.00 41.12 41.19 1pfl n ASP 8 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1pfl h ASN 9 N 0.00 -0.63 -0.93 -2.24 -1.24 -1.33 0.48 115.58 109.69 1pfl h ASN 9 Ca 0.00 0.05 0.13 0.00 0.71 0.00 0.00 56.30 57.19 1pfl h ASN 9 Cb 0.31 0.21 -0.09 0.00 0.73 0.00 0.00 38.32 39.48 1pfl h ASN 9 CO 0.00 -0.37 0.55 -0.07 -1.29 0.00 0.00 177.43 176.25 1pfl h LEU 10 N -0.55 0.76 -0.17 0.34 -0.00 -1.67 0.64 115.31 114.67 1pfl h LEU 10 Ca -0.02 0.06 -0.22 0.00 -0.00 0.00 0.00 57.88 57.70 1pfl h LEU 10 Cb 0.49 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 41.07 1pfl h LEU 10 CO -0.02 0.38 -0.96 0.24 -0.00 0.00 0.00 178.44 178.09 1pfl h MET 11 N 0.84 0.33 -0.00 1.13 2.86 -1.36 -3.17 114.93 115.56 1pfl h MET 11 Ca 0.48 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1pfl h MET 11 Cb 0.55 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1pfl h MET 11 CO -0.30 1.08 -0.11 0.00 1.06 0.00 0.00 176.91 178.64 1pfl n ALA 12 N -2.52 2.75 1.00 6.32 0.00 0.16 -4.29 120.51 123.94 1pfl n ALA 12 Ca -0.06 -0.26 0.12 0.00 0.00 0.00 0.00 53.44 53.23 1pfl n ALA 12 Cb 0.85 -1.34 0.06 0.00 0.00 0.00 0.00 19.45 19.02 1pfl n ALA 12 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pfl n ASP 13 N -0.97 2.65 -2.30 0.00 5.68 0.20 -4.97 116.55 116.84 1pfl n ASP 13 Ca 0.14 -1.83 -0.10 0.00 -0.50 0.00 0.00 54.79 52.51 1pfl n ASP 13 Cb 0.28 0.17 -0.02 0.00 -1.14 0.00 0.00 41.12 40.41 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 1.37 -0.27 0.00 6.12 0.00 -1.26 -4.25 105.19 106.91 1pfl n GLY 14 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.90 0.00 -0.53 2.61 -1.04 -1.26 -5.00 114.28 107.16 1pfl n THR 15 Ca 0.03 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.99 1pfl n THR 15 Cb 0.28 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 68.83 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 -2.11 0.00 -2.47 0.00 0.00 0.31 -3.88 117.38 109.22 1pfl n GLN 17 Ca 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.00 56.98 1pfl n GLN 17 Cb 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 30.24 30.20 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 -1.96 0.92 -3.64 1.69 2.03 -1.14 -4.96 116.55 109.49 1pfl n ASP 18 Ca 0.00 -1.43 -0.04 0.00 0.52 0.00 0.00 54.79 53.84 1pfl n ASP 18 Cb 0.00 0.21 -0.07 0.00 -0.72 0.00 0.00 41.12 40.54 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 -2.22 -2.22 -0.20 -1.67 0.00 -1.26 -1.50 121.76 112.69 1pfl s ALA 19 Ca 0.04 2.03 -0.05 0.00 0.00 0.00 0.00 51.96 53.98 1pfl s ALA 19 Cb 0.00 -1.67 0.07 0.00 0.00 0.00 0.00 23.12 21.53 1pfl s ALA 19 CO 0.03 -0.28 0.12 0.00 0.00 0.00 0.00 175.76 175.62 1pfl s ALA 20 N 0.84 0.36 -0.15 0.00 0.00 -0.74 -1.69 121.76 120.37 1pfl s ALA 20 Ca -0.04 -0.37 -0.21 0.00 0.00 0.00 0.00 51.96 51.35 1pfl s ALA 20 Cb -0.04 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 1pfl s ALA 20 CO -0.12 -1.26 0.63 0.42 0.00 0.00 0.00 175.76 175.42 1pfl s ILE 21 N 2.16 5.05 -0.16 0.00 1.01 -0.86 -0.02 121.20 128.38 1pfl s ILE 21 Ca 0.04 1.22 -0.02 0.00 0.00 0.00 0.00 60.65 61.89 1pfl s ILE 21 Cb -0.16 -3.95 0.05 0.00 0.01 0.00 0.00 42.46 38.41 1pfl s ILE 21 CO -0.14 0.18 0.03 -0.69 0.00 0.00 0.00 174.94 174.31 1pfl s VAL 22 N 1.40 0.46 -0.92 2.92 1.01 0.07 -1.25 120.40 124.10 1pfl s VAL 22 Ca 0.31 -0.34 -0.25 0.00 0.00 0.00 0.00 61.98 61.70 1pfl s VAL 22 Cb -0.16 -0.86 -0.11 0.00 0.00 0.00 0.00 36.38 35.24 1pfl s VAL 22 CO 0.12 -0.07 2.15 -0.83 0.00 0.00 0.00 175.10 176.48 1pfl s GLY 23 N 1.90 -0.39 -0.21 4.51 0.00 0.15 -1.47 107.32 111.81 1pfl s GLY 23 Ca 0.01 -1.30 0.01 0.00 0.00 0.00 0.00 44.72 43.43 1pfl s GLY 23 CO -0.07 3.90 1.65 1.58 0.00 0.00 0.00 173.10 180.15 1pfl n TYR 24 N 16.66 1.20 0.00 1.90 4.11 -1.26 -0.86 117.16 138.90 1pfl n TYR 24 Ca 0.43 -1.35 0.00 0.00 -0.00 0.00 0.00 57.90 56.98 1pfl n TYR 24 Cb 0.45 -0.67 0.00 0.00 -0.00 0.00 0.00 39.34 39.12 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 0.19 1.66 -0.25 -3.48 4.01 -1.26 -4.71 118.16 114.32 1pfl n LYS 25 Ca 0.23 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.92 1pfl n LYS 25 Cb 0.78 0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 35.22 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 -1.85 -3.70 4.39 2.03 -1.99 -3.30 116.42 111.99 1pfl h ASP 26 Ca 0.00 0.27 -0.65 0.00 -0.73 0.00 0.00 57.03 55.92 1pfl h ASP 26 Cb 0.00 0.81 -0.21 0.00 -0.83 0.00 0.00 39.33 39.09 1pfl h ASP 26 CO 0.00 -0.33 -0.59 -0.94 -1.03 0.00 0.00 179.24 176.36 1pfl s SER 27 N -5.23 5.43 0.68 4.15 1.04 -1.26 -5.03 113.70 113.48 1pfl s SER 27 Ca -0.14 -0.24 -0.11 0.00 0.48 0.00 0.00 55.95 55.94 1pfl s SER 27 Cb 0.11 -1.99 0.01 0.00 0.10 0.00 0.00 66.02 64.25 1pfl s SER 27 CO 0.63 -0.08 1.07 -2.16 0.98 0.00 0.00 173.24 173.68 1pfl s PRO 28 N 1.65 2.97 -0.07 4.02 0.04 -1.25 -4.75 135.00 137.61 1pfl s PRO 28 Ca 0.06 0.46 -0.29 0.00 0.04 0.00 0.00 61.00 61.27 1pfl s PRO 28 Cb -0.16 -2.05 0.11 0.00 0.04 0.00 0.00 34.50 32.43 1pfl s PRO 28 CO 0.06 -0.93 0.88 -1.54 0.04 0.00 0.00 177.00 175.51 1pfl s SER 29 N -4.33 -0.43 -0.63 6.66 1.04 -0.04 -4.83 113.70 111.15 1pfl s SER 29 Ca 0.57 0.30 -0.24 0.00 0.48 0.00 0.00 55.95 57.07 1pfl s SER 29 Cb -0.11 0.39 0.05 0.00 0.10 0.00 0.00 66.02 66.45 1pfl s SER 29 CO 0.51 -0.51 0.99 -0.69 0.98 0.00 0.00 173.24 174.52 1pfl s VAL 30 N -1.93 4.28 0.21 5.02 1.01 -1.26 0.31 120.40 128.04 1pfl s VAL 30 Ca -0.01 -0.04 0.23 0.00 0.00 0.00 0.00 61.98 62.16 1pfl s VAL 30 Cb -0.01 -4.66 0.21 0.00 0.00 0.00 0.00 36.38 31.92 1pfl s VAL 30 CO -0.01 -1.38 1.85 -0.50 0.00 0.00 0.00 175.10 175.06 1pfl h TRP 31 N 9.53 0.00 -0.02 5.22 4.06 -1.49 -3.42 115.95 129.82 1pfl h TRP 31 Ca -0.28 0.00 0.13 0.00 2.06 0.00 0.00 58.89 60.81 1pfl h TRP 31 Cb 1.07 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 29.07 1pfl h TRP 31 CO 0.97 0.26 -0.03 0.00 -3.56 0.00 0.00 178.44 176.07 1pfl s ALA 32 N -3.77 -4.97 -0.07 1.49 0.00 -0.75 -4.96 121.76 108.72 1pfl s ALA 32 Ca -0.00 1.30 0.05 0.00 0.00 0.00 0.00 51.96 53.31 1pfl s ALA 32 Cb 0.11 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 1pfl s ALA 32 CO 0.65 -2.57 -0.23 0.00 0.00 0.00 0.00 175.76 173.60 1pfl s ALA 33 N 1.67 2.22 -0.31 0.00 0.00 -1.26 -2.04 121.76 122.05 1pfl s ALA 33 Ca 0.17 -1.01 -0.38 0.00 0.00 0.00 0.00 51.96 50.74 1pfl s ALA 33 Cb 0.08 -0.76 -0.14 0.00 0.00 0.00 0.00 23.12 22.31 1pfl s ALA 33 CO -0.15 0.38 2.00 0.28 0.00 0.00 0.00 175.76 178.27 1pfl n VAL 34 N 3.10 0.25 -2.23 0.00 0.31 -0.68 -4.69 118.33 114.40 1pfl n VAL 34 Ca -0.18 -0.15 -0.33 0.00 -0.01 0.00 0.00 64.34 63.67 1pfl n VAL 34 Cb 0.52 -1.42 -0.01 0.00 -0.91 0.00 0.00 33.84 32.02 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 5.07 3.49 0.00 5.55 0.04 -1.26 -3.91 135.00 143.98 1pfl s PRO 35 Ca 1.05 1.27 0.00 0.00 0.04 0.00 0.00 61.00 63.36 1pfl s PRO 35 Cb -0.97 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 31.52 1pfl s PRO 35 CO 0.57 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 177.34 1pfl n GLY 36 N -0.69 2.79 0.00 0.56 0.00 -1.26 -4.97 105.19 101.62 1pfl n GLY 36 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.00 0.00 0.00 1.61 4.01 -1.25 -5.08 118.16 115.45 1pfl n LYS 37 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1pfl n LYS 37 Cb 0.00 -0.18 0.00 0.00 -0.51 0.00 0.00 35.03 34.34 1pfl n LYS 37 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1pfl n THR 38 N -0.81 0.00 -0.26 -0.18 -1.04 -1.26 -5.00 114.28 105.73 1pfl n THR 38 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1pfl n THR 38 Cb 0.00 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.59 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 0.87 -0.18 -1.42 -1.00 -1.87 -2.14 116.94 111.21 1pfl h PHE 39 Ca 0.00 0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.85 1pfl h PHE 39 Cb 0.00 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.26 1pfl h PHE 39 CO 0.00 0.51 0.29 -0.24 -1.61 0.00 0.00 178.31 177.26 1pfl h VAL 40 N 0.91 0.26 -0.40 -0.55 3.04 -1.84 0.26 116.25 117.93 1pfl h VAL 40 Ca 0.29 0.00 -0.17 0.00 -1.01 0.00 0.00 66.70 65.80 1pfl h VAL 40 Cb -0.01 0.75 -0.10 0.00 -2.01 0.00 0.00 31.29 29.91 1pfl h VAL 40 CO -0.10 0.00 0.22 0.59 -1.01 0.00 0.00 177.57 177.27 1pfl n ASN 41 N -3.43 3.28 -4.66 3.17 3.02 -0.80 -4.64 115.26 111.19 1pfl n ASN 41 Ca 0.02 -2.64 -0.43 0.00 -0.03 0.00 0.00 54.58 51.50 1pfl n ASN 41 Cb 0.40 -0.63 -0.02 0.00 -0.61 0.00 0.00 39.78 38.92 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 -1.54 4.05 0.57 2.41 1.01 0.90 -4.55 121.20 124.04 1pfl s ILE 42 Ca 0.25 1.29 0.07 0.00 0.00 0.00 0.00 60.65 62.26 1pfl s ILE 42 Cb 0.21 -3.83 0.07 0.00 0.01 0.00 0.00 42.46 38.91 1pfl s ILE 42 CO 0.05 -0.10 0.59 0.42 0.00 0.00 0.00 174.94 175.90 1pfl s THR 43 N 3.49 1.78 -2.00 2.92 -4.23 -1.26 -4.57 115.64 111.77 1pfl s THR 43 Ca 0.60 -1.28 0.15 0.00 -1.18 0.00 0.00 61.69 59.99 1pfl s THR 43 Cb -0.26 -2.06 0.43 0.00 1.34 0.00 0.00 72.50 71.96 1pfl s THR 43 CO 0.20 0.00 1.33 -0.81 -0.54 0.00 0.00 174.62 174.79 1pfl n PRO 44 N -2.01 0.48 -0.04 3.99 -0.04 -1.26 -1.81 135.00 134.31 1pfl n PRO 44 Ca 0.06 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.51 1pfl n PRO 44 Cb 0.63 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 2.95 0.00 -0.33 0.55 0.00 -1.96 0.32 119.26 120.79 1pfl h ALA 45 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1pfl h ALA 45 Cb 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1pfl h ALA 45 CO 0.00 0.12 0.15 1.05 0.00 0.00 0.00 179.25 180.57 1pfl h GLU 46 N -0.68 0.46 0.00 0.00 9.09 -1.75 0.62 114.58 122.32 1pfl h GLU 46 Ca 0.00 -0.05 -0.06 0.00 0.05 0.00 0.00 59.36 59.30 1pfl h GLU 46 Cb 0.12 -0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 27.12 1pfl h GLU 46 CO 0.00 0.37 -0.42 0.28 0.05 0.00 0.00 179.01 179.28 1pfl h VAL 47 N 0.46 0.44 0.00 -1.06 2.07 -1.50 -2.51 116.25 114.16 1pfl h VAL 47 Ca 0.12 -1.64 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 1pfl h VAL 47 Cb 0.06 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1pfl h VAL 47 CO -0.02 0.25 -0.11 1.23 0.02 0.00 0.00 177.57 178.95 1pfl h GLY 48 N 3.74 0.00 0.12 2.17 0.00 0.20 0.04 103.07 109.35 1pfl h GLY 48 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.95 1pfl h GLY 48 CO 0.03 0.00 -2.31 1.55 0.00 0.00 0.00 176.54 175.81 1pfl n VAL 49 N -4.41 1.43 0.34 4.60 3.14 -1.08 0.18 118.33 122.52 1pfl n VAL 49 Ca -0.03 -0.82 0.14 0.00 -2.96 0.00 0.00 64.34 60.67 1pfl n VAL 49 Cb 0.18 -0.63 0.61 0.00 -1.06 0.00 0.00 33.84 32.93 1pfl n VAL 49 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1pfl h LEU 50 N 0.00 0.00 0.00 6.55 3.38 -1.21 -3.32 115.31 120.70 1pfl h LEU 50 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1pfl h LEU 50 Cb 2.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.94 1pfl h LEU 50 CO 0.03 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.89 1pfl n VAL 51 N -2.56 0.00 -0.28 1.22 0.24 -0.02 -5.04 118.33 111.89 1pfl n VAL 51 Ca 0.01 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.10 1pfl n VAL 51 Cb 0.23 1.08 0.20 0.00 -1.47 0.00 0.00 33.84 33.88 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 0.00 -3.16 0.27 7.63 0.00 0.13 -4.89 105.19 105.17 1pfl n GLY 52 Ca 0.00 -1.02 0.13 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.74 0.93 -1.49 1.61 -0.00 -1.26 -4.93 118.16 109.27 1pfl n LYS 53 Ca 0.10 -0.54 -0.62 0.00 -0.00 0.00 0.00 58.31 57.24 1pfl n LYS 53 Cb 0.42 -1.49 -0.10 0.00 -0.00 0.00 0.00 35.03 33.85 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 -0.56 1.19 -0.84 -5.58 -0.08 -1.26 -4.82 116.55 104.59 1pfl n ASP 54 Ca 0.13 0.88 0.07 0.00 -1.51 0.00 0.00 54.79 54.36 1pfl n ASP 54 Cb 0.35 -0.95 0.20 0.00 2.34 0.00 0.00 41.12 43.06 1pfl n ASP 54 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1pfl n ARG 55 N 6.11 2.10 0.12 -0.67 5.12 -1.26 -4.82 116.66 123.36 1pfl n ARG 55 Ca 0.43 -1.59 0.00 0.00 -1.93 0.00 0.00 57.85 54.75 1pfl n ARG 55 Cb -0.01 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 29.91 1pfl n ARG 55 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1pfl n SER 56 N 0.75 -2.14 0.00 0.55 2.88 -1.26 -5.06 113.62 109.33 1pfl n SER 56 Ca 0.15 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.26 1pfl n SER 56 Cb 0.40 2.19 0.00 0.00 -0.75 0.00 0.00 64.21 66.05 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 -3.04 0.00 -0.02 -3.46 3.41 -1.26 -2.29 113.62 106.96 1pfl n SER 57 Ca 0.00 0.06 0.15 0.00 -0.26 0.00 0.00 58.87 58.82 1pfl n SER 57 Cb 0.00 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.18 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 -0.11 0.00 0.08 7.33 1.16 -1.26 -1.61 117.46 123.05 1pfl n PHE 58 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.60 1pfl n PHE 58 Cb 0.00 -0.14 0.12 0.00 -1.61 0.00 0.00 39.48 37.85 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 -2.67 0.12 0.00 2.97 4.01 -0.97 -1.07 117.16 119.55 1pfl n TYR 59 Ca 0.13 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 1pfl n TYR 59 Cb 1.13 -0.60 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 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 -1.62 0.00 0.08 -0.72 0.24 -0.63 -4.37 118.33 111.31 1pfl n VAL 60 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.07 1pfl n VAL 60 Cb 0.02 -0.71 -0.15 0.00 -1.47 0.00 0.00 33.84 31.54 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 0.63 -0.88 -1.34 7.08 -1.63 -3.46 115.58 115.97 1pfl h ASN 61 Ca 0.00 -0.92 0.00 0.00 -3.08 0.00 0.00 56.30 52.30 1pfl h ASN 61 Cb 0.85 -0.20 0.00 0.00 -2.08 0.00 0.00 38.32 36.88 1pfl h ASN 61 CO 0.00 1.69 0.00 0.61 -2.08 0.00 0.00 177.43 177.65 1pfl n GLY 62 N 1.77 3.39 0.00 9.14 0.00 -0.23 -4.47 105.19 114.78 1pfl n GLY 62 Ca -0.21 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 0.22 -4.57 117.00 114.77 1pfl n LEU 63 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 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 -0.16 0.32 0.42 -1.33 0.00 0.00 177.39 176.64 1pfl s THR 64 N 0.00 -0.11 -0.27 -5.08 -4.23 -1.26 -2.58 115.64 102.11 1pfl s THR 64 Ca 0.00 0.01 -0.02 0.00 -1.18 0.00 0.00 61.69 60.50 1pfl s THR 64 Cb 0.00 -0.98 0.09 0.00 1.34 0.00 0.00 72.50 72.95 1pfl s THR 64 CO 0.00 0.00 0.08 -1.48 -0.54 0.00 0.00 174.62 172.68 1pfl s LEU 65 N 1.77 1.68 -0.71 4.79 0.05 -0.72 -4.26 118.68 121.27 1pfl s LEU 65 Ca -0.10 -1.32 0.00 0.00 0.05 0.00 0.00 54.13 52.76 1pfl s LEU 65 Cb -0.06 -0.72 0.00 0.00 -2.05 0.00 0.00 46.19 43.36 1pfl s LEU 65 CO -0.19 -0.38 0.00 0.61 -0.55 0.00 0.00 176.35 175.84 1pfl n GLY 66 N 4.96 0.40 0.98 -3.48 0.00 -1.26 -2.47 105.19 104.32 1pfl n GLY 66 Ca -0.05 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.40 0.75 3.25 -0.02 0.00 -1.26 -4.82 105.19 101.69 1pfl n GLY 67 Ca -0.09 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.52 2.55 -0.26 1.61 2.00 -1.03 -5.06 119.66 118.95 1pfl s GLN 68 Ca 0.00 -1.32 -0.29 0.00 -2.00 0.00 0.00 55.36 51.75 1pfl s GLN 68 Cb 0.00 -3.55 -0.02 0.00 0.80 0.00 0.00 33.01 30.23 1pfl s GLN 68 CO 0.00 -0.78 1.70 0.21 -0.50 0.00 0.00 175.29 175.91 1pfl s LYS 69 N 1.38 3.61 -0.07 1.67 2.20 -1.26 -1.76 119.74 125.50 1pfl s LYS 69 Ca 0.01 1.57 0.03 0.00 -0.36 0.00 0.00 55.97 57.22 1pfl s LYS 69 Cb -0.21 -4.11 -0.02 0.00 -1.51 0.00 0.00 37.83 31.99 1pfl s LYS 69 CO 0.02 -1.53 -0.17 0.00 -0.36 0.00 0.00 175.35 173.31 1pfl s SER 71 N -0.33 6.30 0.24 0.00 1.04 -0.90 0.72 113.70 120.77 1pfl s SER 71 Ca 0.03 -0.10 -0.30 0.00 0.48 0.00 0.00 55.95 56.05 1pfl s SER 71 Cb -0.13 -2.26 -0.15 0.00 0.10 0.00 0.00 66.02 63.59 1pfl s SER 71 CO 0.02 -0.48 1.08 0.52 0.98 0.00 0.00 173.24 175.36 1pfl n VAL 72 N 5.43 1.52 -3.50 5.02 0.31 -1.26 -1.66 118.33 124.19 1pfl n VAL 72 Ca -0.05 -0.38 -0.27 0.00 -0.01 0.00 0.00 64.34 63.63 1pfl n VAL 72 Cb 0.49 -0.96 -0.09 0.00 -0.91 0.00 0.00 33.84 32.37 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 0.80 0.46 -0.79 2.52 5.41 0.40 -4.72 119.36 123.44 1pfl n ILE 73 Ca 0.12 -4.34 0.00 0.00 1.00 0.00 0.00 62.75 59.53 1pfl n ILE 73 Cb 0.29 -1.96 0.00 0.00 -0.71 0.00 0.00 39.64 37.26 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 1.85 0.00 -2.45 0.38 0.00 -1.26 -3.42 116.66 111.76 1pfl n ARG 74 Ca 0.25 0.26 -0.43 0.00 -0.00 0.00 0.00 57.85 57.94 1pfl n ARG 74 Cb 0.44 -0.60 -0.02 0.00 0.00 0.00 0.00 32.46 32.27 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 -0.15 6.40 0.00 6.15 2.15 -1.26 -3.26 116.67 126.70 1pfl s ASP 75 Ca 0.00 0.60 0.02 0.00 0.43 0.00 0.00 52.55 53.60 1pfl s ASP 75 Cb 0.00 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.09 1pfl s ASP 75 CO 0.00 -1.42 0.57 -0.24 -0.17 0.00 0.00 175.17 173.91 1pfl n SER 76 N 8.61 1.19 -0.56 -0.34 2.88 0.32 -4.74 113.62 120.98 1pfl n SER 76 Ca 0.14 -1.09 0.43 0.00 -1.33 0.00 0.00 58.87 57.01 1pfl n SER 76 Cb 0.49 0.01 0.66 0.00 -0.75 0.00 0.00 64.21 64.62 1pfl n SER 76 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1pfl n LEU 77 N 0.13 0.04 -4.70 2.46 7.94 -1.08 -0.16 117.00 121.62 1pfl n LEU 77 Ca 0.01 0.90 -0.37 0.00 -1.11 0.00 0.00 56.01 55.45 1pfl n LEU 77 Cb 0.06 -0.45 -0.08 0.00 0.53 0.00 0.00 43.42 43.48 1pfl n LEU 77 CO 0.01 -0.92 -0.04 -0.76 -1.11 0.00 0.00 177.39 174.58 1pfl s LEU 78 N -7.53 4.20 -0.25 -1.96 1.43 -1.26 -4.15 118.68 109.15 1pfl s LEU 78 Ca -0.05 0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 53.35 1pfl s LEU 78 Cb 0.23 -2.33 -0.11 0.00 0.03 0.00 0.00 46.19 44.01 1pfl s LEU 78 CO 0.73 0.06 1.23 0.00 0.23 0.00 0.00 176.35 178.60 1pfl n GLN 79 N 3.91 0.02 -1.17 1.70 10.64 -1.25 -4.03 117.38 127.20 1pfl n GLN 79 Ca -0.12 -0.54 -0.21 0.00 -1.83 0.00 0.00 57.00 54.30 1pfl n GLN 79 Cb 0.52 -1.91 0.19 0.00 -0.86 0.00 0.00 30.24 28.18 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 8.55 3.66 -0.04 2.61 -0.08 -1.26 -4.74 116.55 125.25 1pfl n ASP 80 Ca 0.16 -3.61 0.00 0.00 -1.51 0.00 0.00 54.79 49.83 1pfl n ASP 80 Cb 0.42 -0.81 0.00 0.00 2.34 0.00 0.00 41.12 43.07 1pfl n ASP 80 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pfl n GLY 81 N -1.09 0.84 2.12 0.27 0.00 -1.26 -4.92 105.19 101.14 1pfl n GLY 81 Ca 0.56 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.93 0.00 -4.09 1.61 4.71 -1.26 -5.05 120.64 115.63 1pfl n GLU 82 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.16 56.83 1pfl n GLU 82 Cb 0.36 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.76 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 -3.18 -1.48 -3.72 -0.32 -1.74 0.77 -4.88 117.46 102.90 1pfl n PHE 83 Ca 0.00 0.53 -0.13 0.00 -0.56 0.00 0.00 57.45 57.30 1pfl n PHE 83 Cb 0.00 -3.18 -0.13 0.00 1.52 0.00 0.00 39.48 37.69 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 -4.12 -0.16 -0.04 5.98 1.04 -1.08 -2.61 113.70 112.71 1pfl s SER 84 Ca 0.15 0.53 0.03 0.00 0.48 0.00 0.00 55.95 57.14 1pfl s SER 84 Cb -0.07 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1pfl s SER 84 CO 0.94 -0.18 -0.14 -0.32 0.98 0.00 0.00 173.24 174.53 1pfl s MET 85 N 1.43 1.54 -1.11 4.02 1.75 -0.26 -0.52 119.30 126.15 1pfl s MET 85 Ca -0.08 -0.49 -0.07 0.00 -1.25 0.00 0.00 55.69 53.80 1pfl s MET 85 Cb -0.11 -1.35 0.28 0.00 2.84 0.00 0.00 34.83 36.50 1pfl s MET 85 CO -0.08 0.17 1.34 -0.25 -0.65 0.00 0.00 175.02 175.55 1pfl n ASP 86 N 3.29 5.93 -4.54 1.11 9.92 -1.20 -1.26 116.55 129.80 1pfl n ASP 86 Ca -0.19 -3.22 -0.42 0.00 -0.53 0.00 0.00 54.79 50.43 1pfl n ASP 86 Cb 0.53 -1.34 -0.07 0.00 -0.64 0.00 0.00 41.12 39.60 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 -1.85 4.41 -0.11 0.64 -0.00 -0.39 0.15 118.68 121.54 1pfl s LEU 87 Ca 0.32 -0.16 0.03 0.00 -0.00 0.00 0.00 54.13 54.32 1pfl s LEU 87 Cb -0.02 -2.72 -0.01 0.00 -0.00 0.00 0.00 46.19 43.45 1pfl s LEU 87 CO 0.02 -0.68 -0.21 0.00 -0.00 0.00 0.00 176.35 175.48 1pfl s ARG 88 N 2.72 3.11 -0.47 1.48 1.70 -0.67 -1.80 118.95 125.03 1pfl s ARG 88 Ca 0.22 -0.82 -0.30 0.00 -0.47 0.00 0.00 55.73 54.36 1pfl s ARG 88 Cb -0.14 -2.39 -0.10 0.00 -0.57 0.00 0.00 34.95 31.74 1pfl s ARG 88 CO 0.17 0.21 2.35 0.25 -1.08 0.00 0.00 175.30 177.20 1pfl n THR 89 N 3.47 0.09 -2.34 4.99 -2.24 0.28 -2.11 114.28 116.42 1pfl n THR 89 Ca -0.19 -0.44 -0.25 0.00 -2.27 0.00 0.00 64.05 60.91 1pfl n THR 89 Cb 0.53 -2.02 0.06 0.00 -2.10 0.00 0.00 70.33 66.79 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 7.34 2.34 0.40 -0.78 -0.14 -1.26 -1.60 119.74 126.03 1pfl s LYS 90 Ca 1.08 -0.38 0.05 0.00 -1.36 0.00 0.00 55.97 55.35 1pfl s LYS 90 Cb -0.60 -2.26 -0.02 0.00 -1.68 0.00 0.00 37.83 33.26 1pfl s LYS 90 CO 0.39 -1.06 0.17 0.45 -0.76 0.00 0.00 175.35 174.54 1pfl s SER 91 N -4.48 2.59 -0.41 2.83 0.15 -1.26 -4.79 113.70 108.34 1pfl s SER 91 Ca 0.59 -1.72 0.02 0.00 0.70 0.00 0.00 55.95 55.53 1pfl s SER 91 Cb -0.11 0.57 0.14 0.00 -1.71 0.00 0.00 66.02 64.92 1pfl s SER 91 CO 0.43 -0.99 0.25 0.42 1.20 0.00 0.00 173.24 174.55 1pfl s THR 92 N -3.25 0.77 0.00 6.45 -4.23 -1.26 -4.95 115.64 109.17 1pfl s THR 92 Ca 0.27 -2.27 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1pfl s THR 92 Cb 0.02 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.31 1pfl s THR 92 CO 0.18 -0.99 0.00 0.61 -0.54 0.00 0.00 174.62 173.88 1pfl n GLY 93 N 3.60 0.96 0.03 3.99 0.00 -1.26 -4.17 105.19 108.34 1pfl n GLY 93 Ca 0.13 -0.58 0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 -0.55 3.46 -0.02 0.00 -1.26 -5.01 105.19 101.81 1pfl n GLY 94 Ca 0.00 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 1pfl n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pfl n ALA 95 N -1.31 -2.64 -2.28 4.61 0.00 -1.26 -4.97 120.51 112.66 1pfl n ALA 95 Ca 0.03 -0.95 -0.38 0.00 0.00 0.00 0.00 53.44 52.14 1pfl n ALA 95 Cb 0.27 -1.90 -0.06 0.00 0.00 0.00 0.00 19.45 17.76 1pfl n ALA 95 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1pfl s PRO 96 N -4.10 4.18 0.21 0.00 0.04 -1.26 -4.67 135.00 129.40 1pfl s PRO 96 Ca 0.63 0.71 0.10 0.00 0.04 0.00 0.00 61.00 62.48 1pfl s PRO 96 Cb -0.21 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 1pfl s PRO 96 CO 0.64 0.62 -0.13 0.95 0.04 0.00 0.00 177.00 179.12 1pfl s THR 97 N -1.16 2.93 -0.08 1.26 -4.23 -1.26 -4.36 115.64 108.74 1pfl s THR 97 Ca 0.30 -1.91 -0.04 0.00 -1.18 0.00 0.00 61.69 58.86 1pfl s THR 97 Cb -0.19 -2.48 0.04 0.00 1.34 0.00 0.00 72.50 71.21 1pfl s THR 97 CO 0.19 -0.20 0.18 -0.36 -0.54 0.00 0.00 174.62 173.88 1pfl s PHE 98 N -1.94 -0.22 -0.03 3.99 0.08 -0.63 -4.38 117.98 114.86 1pfl s PHE 98 Ca 0.26 0.58 0.00 0.00 0.12 0.00 0.00 56.93 57.89 1pfl s PHE 98 Cb -0.08 -0.04 -0.03 0.00 -0.57 0.00 0.00 43.02 42.30 1pfl s PHE 98 CO 0.15 -0.18 0.00 -0.80 -0.10 0.00 0.00 175.22 174.29 1pfl s ASN 99 N 1.16 5.17 -0.01 1.36 0.01 0.13 0.99 114.94 123.75 1pfl s ASN 99 Ca -0.09 0.05 0.03 0.00 -0.71 0.00 0.00 52.86 52.14 1pfl s ASN 99 Cb -0.11 -1.39 -0.01 0.00 0.41 0.00 0.00 41.25 40.16 1pfl s ASN 99 CO -0.07 0.31 -0.11 -0.69 -1.51 0.00 0.00 177.10 175.04 1pfl s VAL 100 N -1.02 0.85 -0.17 1.60 1.01 -0.74 0.44 120.40 122.36 1pfl s VAL 100 Ca 0.18 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 1pfl s VAL 100 Cb -0.11 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 1pfl s VAL 100 CO 0.08 0.24 -0.09 -0.89 0.00 0.00 0.00 175.10 174.45 1pfl s THR 101 N -0.19 3.27 -0.19 3.92 2.01 -0.26 -1.26 115.64 122.94 1pfl s THR 101 Ca 0.03 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 61.46 1pfl s THR 101 Cb -0.05 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 70.04 1pfl s THR 101 CO -0.00 0.48 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.60 1pfl s VAL 102 N 0.82 2.79 0.47 3.82 1.01 -0.39 -0.16 120.40 128.76 1pfl s VAL 102 Ca -0.03 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.32 1pfl s VAL 102 Cb -0.15 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1pfl s VAL 102 CO 0.01 0.48 0.39 0.42 0.00 0.00 0.00 175.10 176.40 1pfl s THR 103 N 1.23 2.24 0.03 3.92 -4.23 0.00 -1.11 115.64 117.72 1pfl s THR 103 Ca 0.02 -1.42 0.01 0.00 -1.18 0.00 0.00 61.69 59.13 1pfl s THR 103 Cb -0.14 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.02 1pfl s THR 103 CO -0.05 0.00 -0.05 -0.75 -0.54 0.00 0.00 174.62 173.23 1pfl s LYS 104 N -4.19 0.39 0.00 3.99 2.47 -1.07 -2.01 119.74 119.31 1pfl s LYS 104 Ca 0.43 -0.63 0.00 0.00 -1.56 0.00 0.00 55.97 54.21 1pfl s LYS 104 Cb -0.02 -0.07 0.00 0.00 -1.46 0.00 0.00 37.83 36.28 1pfl s LYS 104 CO 0.26 -0.00 0.00 0.25 0.16 0.00 0.00 175.35 176.01 1pfl n THR 105 N 1.64 0.00 -0.02 3.43 -2.24 -1.11 -4.86 114.28 111.12 1pfl n THR 105 Ca -0.23 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.47 1pfl n THR 105 Cb 0.55 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.85 -0.74 3.42 2.03 -1.26 -4.65 116.55 116.21 1pfl n ASP 106 Ca 0.00 0.40 -0.01 0.00 0.52 0.00 0.00 54.79 55.70 1pfl n ASP 106 Cb 0.00 -0.02 -0.01 0.00 -0.72 0.00 0.00 41.12 40.37 1pfl n ASP 106 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1pfl n LYS 107 N -3.02 0.00 -4.22 -0.67 5.02 0.27 -5.06 118.16 110.47 1pfl n LYS 107 Ca -0.17 -0.72 -0.16 0.00 -2.02 0.00 0.00 58.31 55.25 1pfl n LYS 107 Cb 1.04 -0.01 -0.11 0.00 -0.02 0.00 0.00 35.03 35.93 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 1.15 -0.42 -0.18 -4.23 -1.22 -4.21 115.64 106.53 1pfl s THR 108 Ca 0.04 -1.77 0.04 0.00 -1.18 0.00 0.00 61.69 58.82 1pfl s THR 108 Cb 0.05 -1.54 0.12 0.00 1.34 0.00 0.00 72.50 72.46 1pfl s THR 108 CO -0.02 -0.55 0.16 -0.22 -0.54 0.00 0.00 174.62 173.44 1pfl s LEU 109 N -2.62 4.24 0.22 4.79 1.98 -0.54 -2.74 118.68 124.00 1pfl s LEU 109 Ca 0.09 -2.52 -0.15 0.00 -2.89 0.00 0.00 54.13 48.66 1pfl s LEU 109 Cb -0.02 -1.53 -0.08 0.00 0.66 0.00 0.00 46.19 45.21 1pfl s LEU 109 CO 0.01 -0.31 0.63 -0.69 -1.89 0.00 0.00 176.35 174.11 1pfl s VAL 110 N 0.40 4.76 0.09 1.68 1.01 -0.85 -0.75 120.40 126.73 1pfl s VAL 110 Ca 0.14 0.91 0.03 0.00 0.00 0.00 0.00 61.98 63.06 1pfl s VAL 110 Cb -0.22 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1pfl s VAL 110 CO -0.05 0.08 -0.09 -0.76 0.00 0.00 0.00 175.10 174.28 1pfl s LEU 111 N -2.34 2.39 -0.25 3.92 1.43 0.97 -0.82 118.68 123.98 1pfl s LEU 111 Ca 0.44 -0.79 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1pfl s LEU 111 Cb -0.14 -0.25 0.08 0.00 0.03 0.00 0.00 46.19 45.92 1pfl s LEU 111 CO 0.20 -0.28 0.07 -0.22 0.23 0.00 0.00 176.35 176.35 1pfl s LEU 112 N -2.37 1.53 0.21 1.79 1.98 0.77 -1.80 118.68 120.79 1pfl s LEU 112 Ca 0.04 -1.21 -0.13 0.00 -2.89 0.00 0.00 54.13 49.93 1pfl s LEU 112 Cb -0.03 -0.68 -0.07 0.00 0.66 0.00 0.00 46.19 46.07 1pfl s LEU 112 CO -0.01 -0.37 0.58 -0.32 -1.89 0.00 0.00 176.35 174.35 1pfl s MET 113 N 1.79 3.93 -0.02 1.98 -2.45 -0.56 -1.11 119.30 122.87 1pfl s MET 113 Ca 0.04 0.46 -0.06 0.00 -1.25 0.00 0.00 55.69 54.88 1pfl s MET 113 Cb -0.17 -2.75 0.00 0.00 1.25 0.00 0.00 34.83 33.16 1pfl s MET 113 CO -0.19 0.37 0.13 0.20 1.05 0.00 0.00 175.02 176.58 1pfl s GLY 114 N -2.03 0.01 0.24 2.11 0.00 0.17 -0.53 107.32 107.29 1pfl s GLY 114 Ca 0.44 0.02 0.08 0.00 0.00 0.00 0.00 44.72 45.25 1pfl s GLY 114 CO 0.20 -0.09 -0.12 0.54 0.00 0.00 0.00 173.10 173.62 1pfl s LYS 115 N -0.91 1.45 0.00 2.90 1.02 -1.15 -0.69 119.74 122.36 1pfl s LYS 115 Ca -0.10 -1.68 0.00 0.00 0.02 0.00 0.00 55.97 54.21 1pfl s LYS 115 Cb -0.06 -1.22 0.00 0.00 -0.52 0.00 0.00 37.83 36.04 1pfl s LYS 115 CO 0.01 0.15 0.00 -1.91 -0.92 0.00 0.00 175.35 172.68 1pfl n GLU 116 N -0.48 0.00 -1.05 1.68 0.00 -1.26 -3.17 120.64 116.35 1pfl n GLU 116 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.08 1pfl n GLU 116 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 32.05 1pfl n GLU 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pfl n GLY 117 N 0.00 0.51 3.28 8.31 0.00 -1.26 -4.92 105.19 111.11 1pfl n GLY 117 Ca 0.00 -0.26 -0.45 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.88 5.02 0.18 1.61 0.11 -1.19 -4.82 120.40 119.42 1pfl s VAL 118 Ca 0.00 -1.84 0.08 0.00 -2.93 0.00 0.00 61.98 57.29 1pfl s VAL 118 Cb 0.00 -4.21 -0.14 0.00 -1.53 0.00 0.00 36.38 30.50 1pfl s VAL 118 CO 0.00 -0.89 1.40 -0.74 -3.33 0.00 0.00 175.10 171.54 1pfl h HIS 119 N 8.47 0.03 0.00 1.54 2.76 -1.92 -3.44 115.15 122.59 1pfl h HIS 119 Ca -0.18 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.97 1pfl h HIS 119 Cb 1.07 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.03 1pfl h HIS 119 CO 0.78 0.87 0.00 0.41 -1.30 0.00 0.00 177.93 178.69 1pfl n GLY 120 N 0.93 3.29 0.08 5.26 0.00 -1.26 -4.86 105.19 108.64 1pfl n GLY 120 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.12 1.33 -0.02 0.00 -1.98 -1.20 103.07 101.32 1pfl h GLY 121 Ca 0.00 -0.31 -0.27 0.00 0.00 0.00 0.00 47.33 46.75 1pfl h GLY 121 CO 0.00 0.27 -1.10 1.41 0.00 0.00 0.00 176.54 177.13 1pfl h LEU 122 N 0.03 0.78 -0.99 3.11 3.38 -1.99 -2.13 115.31 117.50 1pfl h LEU 122 Ca -0.08 -0.67 -0.07 0.00 0.09 0.00 0.00 57.88 57.15 1pfl h LEU 122 Cb 1.86 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.35 1pfl h LEU 122 CO 0.16 1.47 -0.05 0.40 0.09 0.00 0.00 178.44 180.51 1pfl h ILE 123 N 0.30 1.24 -0.02 1.22 2.04 -1.96 0.15 117.51 120.48 1pfl h ILE 123 Ca -0.14 -1.00 -0.05 0.00 1.00 0.00 0.00 64.86 64.67 1pfl h ILE 123 Cb 1.76 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.81 1pfl h ILE 123 CO 0.21 0.34 -0.21 -1.13 0.00 0.00 0.00 178.15 177.36 1pfl h ASN 124 N 0.63 0.03 0.75 1.72 -0.73 -1.05 0.20 115.58 117.13 1pfl h ASN 124 Ca 0.12 -0.01 -0.25 0.00 1.87 0.00 0.00 56.30 58.03 1pfl h ASN 124 Cb 0.46 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.04 1pfl h ASN 124 CO 0.02 0.24 -1.15 0.11 -0.37 0.00 0.00 177.43 176.28 1pfl h LYS 125 N 0.03 0.18 0.00 6.67 1.79 -0.34 -2.72 116.57 122.18 1pfl h LYS 125 Ca 0.00 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1pfl h LYS 125 Cb 0.39 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1pfl h LYS 125 CO 0.03 1.14 -0.28 1.63 -1.08 0.00 0.00 179.45 180.89 1pfl n LYS 126 N -3.48 0.15 -0.00 3.15 4.01 0.34 -2.56 118.16 119.78 1pfl n LYS 126 Ca -0.06 0.08 -0.12 0.00 -0.51 0.00 0.00 58.31 57.71 1pfl n LYS 126 Cb 0.99 -1.63 -0.14 0.00 -0.51 0.00 0.00 35.03 33.74 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 0.02 0.61 0.13 0.00 5.03 -1.48 -1.45 116.97 119.83 1pfl h TYR 128 Ca -0.29 -0.13 -0.27 0.00 2.58 0.00 0.00 58.73 60.63 1pfl h TYR 128 Cb 2.00 -0.15 0.01 0.00 1.55 0.00 0.00 36.73 40.13 1pfl h TYR 128 CO 0.02 0.73 -1.23 0.93 -1.32 0.00 0.00 178.16 177.29 1pfl h GLU 129 N 0.49 0.30 -0.40 1.82 5.08 -1.53 0.13 114.58 120.46 1pfl h GLU 129 Ca 0.07 -0.49 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1pfl h GLU 129 Cb 0.65 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1pfl h GLU 129 CO 0.05 1.23 0.24 1.98 -1.00 0.00 0.00 179.01 181.51 1pfl h MET 130 N 0.09 0.55 0.00 2.33 4.05 -1.11 -1.24 114.93 119.60 1pfl h MET 130 Ca -0.14 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.23 1pfl h MET 130 Cb 1.95 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 32.64 1pfl h MET 130 CO 0.21 0.41 -0.10 0.00 0.23 0.00 0.00 176.91 177.65 1pfl n ALA 131 N -2.23 2.39 0.06 0.39 0.00 -0.56 -3.11 120.51 117.44 1pfl n ALA 131 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.39 1pfl n ALA 131 Cb 0.05 -1.42 0.33 0.00 0.00 0.00 0.00 19.45 18.41 1pfl n ALA 131 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pfl h SER 132 N 0.00 0.37 0.12 0.00 4.64 0.50 0.26 113.55 119.44 1pfl h SER 132 Ca 0.00 -0.08 -0.25 0.00 -0.47 0.00 0.00 61.79 61.00 1pfl h SER 132 Cb 0.74 -0.10 0.03 0.00 -0.31 0.00 0.00 62.40 62.76 1pfl h SER 132 CO 0.00 0.50 -1.04 -0.74 -0.87 0.00 0.00 176.83 174.69 1pfl h HIS 133 N 0.36 0.81 0.00 4.77 2.76 -1.45 -2.15 115.15 120.25 1pfl h HIS 133 Ca 0.07 -0.53 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 1pfl h HIS 133 Cb 0.40 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.30 1pfl h HIS 133 CO 0.01 1.38 0.00 1.28 -1.30 0.00 0.00 177.93 179.30 1pfl n LEU 134 N -3.96 0.52 0.05 0.26 4.32 -0.88 0.13 117.00 117.45 1pfl n LEU 134 Ca -0.14 0.69 -0.22 0.00 -0.02 0.00 0.00 56.01 56.32 1pfl n LEU 134 Cb 0.90 -0.68 -0.15 0.00 -1.62 0.00 0.00 43.42 41.87 1pfl n LEU 134 CO 0.54 -0.72 -0.48 0.03 -1.22 0.00 0.00 177.39 175.54 1pfl h ARG 135 N 0.00 0.35 -0.00 3.23 2.47 -0.41 -3.18 114.38 116.84 1pfl h ARG 135 Ca 0.00 -0.60 0.00 0.00 -1.26 0.00 0.00 59.98 58.12 1pfl h ARG 135 Cb 0.16 0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1pfl h ARG 135 CO 0.00 1.29 -0.01 0.54 0.56 0.00 0.00 179.97 182.35 1pfl n ARG 136 N -3.72 0.89 0.11 0.04 5.12 -0.17 -2.92 116.66 116.02 1pfl n ARG 136 Ca -0.24 -0.09 0.06 0.00 -1.93 0.00 0.00 57.85 55.64 1pfl n ARG 136 Cb 1.01 -1.50 0.01 0.00 -1.16 0.00 0.00 32.46 30.83 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 0.22 0.00 -0.88 0.55 4.64 0.11 -3.48 113.55 114.72 1pfl h SER 137 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1pfl h SER 137 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1pfl h SER 137 CO 0.00 0.30 -0.18 0.00 -0.87 0.00 0.00 176.83 176.08 1pfl n GLN 138 N -2.96 -0.58 0.00 4.77 1.13 -1.15 -5.06 117.38 113.54 1pfl n GLN 138 Ca -0.02 0.47 0.08 0.00 -1.94 0.00 0.00 57.00 55.60 1pfl n GLN 138 Cb 0.68 -4.36 0.07 0.00 0.11 0.00 0.00 30.24 26.73 1pfl n GLN 138 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28