#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 4.03 0.41 0.00 0.00 -1.26 -4.99 105.19 103.38 1pfl n GLY 2 Ca 0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.22 0.00 1.61 -0.00 -2.00 -1.18 115.95 113.16 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 0.54 0.00 0.00 -0.00 0.00 0.00 29.16 29.70 1pfl h TRP 3 CO 0.00 -0.50 0.07 -0.91 -0.00 0.00 0.00 178.44 177.10 1pfl h ASN 4 N -0.58 0.00 0.35 -3.49 4.21 -1.94 -0.05 115.58 114.08 1pfl h ASN 4 Ca 0.05 0.00 -0.28 0.00 1.21 0.00 0.00 56.30 57.28 1pfl h ASN 4 Cb 0.66 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.87 1pfl h ASN 4 CO -0.32 0.00 -1.19 0.00 -1.29 0.00 0.00 177.43 174.63 1pfl h ALA 5 N 1.85 0.11 0.00 -0.83 0.00 -1.64 0.22 119.26 118.96 1pfl h ALA 5 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1pfl h ALA 5 Cb 0.15 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1pfl h ALA 5 CO 0.00 0.81 0.00 1.88 0.00 0.00 0.00 179.25 181.94 1pfl h TYR 6 N 0.19 0.00 0.00 0.00 0.05 -0.61 0.13 116.97 116.74 1pfl h TYR 6 Ca -0.15 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.41 1pfl h TYR 6 Cb 1.87 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.57 1pfl h TYR 6 CO 0.09 0.00 -1.58 -0.89 -1.05 0.00 0.00 178.16 174.73 1pfl n ILE 7 N -2.38 1.31 0.27 -2.88 2.08 -0.77 -3.45 119.36 113.54 1pfl n ILE 7 Ca 0.02 -0.73 0.12 0.00 0.56 0.00 0.00 62.75 62.73 1pfl n ILE 7 Cb 0.28 -0.80 0.58 0.00 -0.75 0.00 0.00 39.64 38.95 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 0.00 4.38 5.19 0.22 -2.97 116.42 123.24 1pfl h ASP 8 Ca -0.22 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 1pfl h ASP 8 Cb 1.75 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.26 1pfl h ASP 8 CO 0.05 0.00 0.00 -3.20 -3.12 0.00 0.00 179.24 172.97 1pfl n ASN 9 N -2.33 0.00 -0.58 6.45 5.15 -0.78 -0.40 115.26 122.76 1pfl n ASN 9 Ca 0.00 0.84 0.46 0.00 -0.60 0.00 0.00 54.58 55.28 1pfl n ASN 9 Cb 0.13 -0.38 0.75 0.00 -0.53 0.00 0.00 39.78 39.75 1pfl n ASN 9 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1pfl h LEU 10 N 0.00 0.11 0.05 1.20 -0.00 -1.72 1.63 115.31 116.58 1pfl h LEU 10 Ca 0.00 0.08 -0.15 0.00 -0.00 0.00 0.00 57.88 57.81 1pfl h LEU 10 Cb 0.00 0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.74 1pfl h LEU 10 CO 0.00 -0.14 -0.79 0.24 -0.00 0.00 0.00 178.44 177.75 1pfl h MET 11 N 0.01 0.11 -0.02 1.13 2.86 -1.49 -3.34 114.93 114.18 1pfl h MET 11 Ca 0.90 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 58.36 1pfl h MET 11 Cb 3.25 0.07 0.00 0.00 0.06 0.00 0.00 31.60 34.98 1pfl h MET 11 CO -0.25 1.09 0.00 0.00 1.06 0.00 0.00 176.91 178.80 1pfl n ALA 12 N -2.91 2.62 1.29 6.32 0.00 0.14 -4.40 120.51 123.57 1pfl n ALA 12 Ca -0.20 -0.29 0.13 0.00 0.00 0.00 0.00 53.44 53.09 1pfl n ALA 12 Cb 0.69 -1.33 0.43 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.50 0.93 -2.32 0.00 5.75 0.51 -4.95 116.55 115.98 1pfl n ASP 13 Ca 0.20 -0.85 -0.12 0.00 -0.01 0.00 0.00 54.79 54.01 1pfl n ASP 13 Cb 0.19 0.09 -0.02 0.00 -1.03 0.00 0.00 41.12 40.34 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 1.32 -0.11 2.13 6.12 0.00 -1.26 -4.02 105.19 109.37 1pfl n GLY 14 Ca 0.13 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.46 0.00 -1.53 2.61 -1.04 -1.26 -4.92 114.28 106.67 1pfl n THR 15 Ca 0.03 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.87 1pfl n THR 15 Cb 0.12 -0.08 0.12 0.00 -1.82 0.00 0.00 70.33 68.68 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 -2.73 0.00 -4.06 0.00 0.00 -0.09 -4.43 117.38 106.07 1pfl n GLN 17 Ca 0.10 0.00 -0.23 0.00 -0.00 0.00 0.00 57.00 56.87 1pfl n GLN 17 Cb 0.35 -0.08 -0.06 0.00 0.00 0.00 0.00 30.24 30.45 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 -2.30 1.96 -3.64 1.69 2.03 0.42 -4.85 116.55 111.85 1pfl n ASP 18 Ca 0.00 -2.80 -0.04 0.00 0.52 0.00 0.00 54.79 52.46 1pfl n ASP 18 Cb 0.00 0.63 -0.07 0.00 -0.72 0.00 0.00 41.12 40.96 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 -2.83 -2.16 -0.25 -1.67 0.00 -1.26 -1.30 121.76 112.29 1pfl s ALA 19 Ca 0.10 2.17 -0.02 0.00 0.00 0.00 0.00 51.96 54.21 1pfl s ALA 19 Cb 0.01 -1.62 0.08 0.00 0.00 0.00 0.00 23.12 21.59 1pfl s ALA 19 CO 0.07 -0.33 0.07 0.00 0.00 0.00 0.00 175.76 175.58 1pfl s ALA 20 N 1.16 1.12 -0.30 0.00 0.00 -0.46 -2.28 121.76 120.99 1pfl s ALA 20 Ca -0.07 -1.09 -0.23 0.00 0.00 0.00 0.00 51.96 50.57 1pfl s ALA 20 Cb -0.04 -1.37 -0.00 0.00 0.00 0.00 0.00 23.12 21.71 1pfl s ALA 20 CO -0.14 -1.42 0.77 0.42 0.00 0.00 0.00 175.76 175.39 1pfl s ILE 21 N 1.82 4.81 -0.20 0.00 1.01 -0.88 -0.19 121.20 127.57 1pfl s ILE 21 Ca 0.04 1.17 -0.01 0.00 0.00 0.00 0.00 60.65 61.86 1pfl s ILE 21 Cb -0.17 -4.13 0.05 0.00 0.01 0.00 0.00 42.46 38.23 1pfl s ILE 21 CO -0.19 -0.23 -0.03 -0.69 0.00 0.00 0.00 174.94 173.81 1pfl s VAL 22 N 2.91 1.10 -0.92 2.92 1.01 -0.50 -0.47 120.40 126.45 1pfl s VAL 22 Ca 0.32 -0.83 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 1pfl s VAL 22 Cb -0.14 -1.40 -0.13 0.00 0.00 0.00 0.00 36.38 34.70 1pfl s VAL 22 CO 0.12 -0.06 2.19 -0.83 0.00 0.00 0.00 175.10 176.52 1pfl s GLY 23 N 1.61 -0.56 -0.08 4.51 0.00 0.20 -1.53 107.32 111.46 1pfl s GLY 23 Ca -0.02 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.44 1pfl s GLY 23 CO -0.07 4.01 1.32 1.58 0.00 0.00 0.00 173.10 179.93 1pfl n TYR 24 N 17.41 0.50 0.00 1.90 4.11 -1.26 -0.95 117.16 138.87 1pfl n TYR 24 Ca 0.44 -0.84 0.00 0.00 -0.00 0.00 0.00 57.90 57.50 1pfl n TYR 24 Cb 0.45 -0.42 0.00 0.00 -0.00 0.00 0.00 39.34 39.37 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 0.41 1.40 -0.20 -3.48 4.01 -1.26 -4.72 118.16 114.32 1pfl n LYS 25 Ca 0.10 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.80 1pfl n LYS 25 Cb 0.66 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 35.13 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 -1.59 -3.65 4.39 2.03 -1.99 -3.31 116.42 112.30 1pfl h ASP 26 Ca 0.00 0.25 -0.64 0.00 -0.73 0.00 0.00 57.03 55.90 1pfl h ASP 26 Cb 0.00 0.70 -0.21 0.00 -0.83 0.00 0.00 39.33 38.99 1pfl h ASP 26 CO 0.00 -0.35 -0.60 -0.94 -1.03 0.00 0.00 179.24 176.32 1pfl s SER 27 N -5.15 5.32 0.63 4.15 1.04 -1.26 -5.04 113.70 113.39 1pfl s SER 27 Ca -0.14 -0.15 -0.11 0.00 0.48 0.00 0.00 55.95 56.03 1pfl s SER 27 Cb 0.12 -1.96 -0.04 0.00 0.10 0.00 0.00 66.02 64.25 1pfl s SER 27 CO 0.65 -0.02 1.03 -2.16 0.98 0.00 0.00 173.24 173.73 1pfl s PRO 28 N 1.52 3.53 0.00 4.02 0.04 -1.25 -4.75 135.00 138.12 1pfl s PRO 28 Ca 0.06 0.77 -0.28 0.00 0.04 0.00 0.00 61.00 61.59 1pfl s PRO 28 Cb -0.15 -2.07 0.09 0.00 0.04 0.00 0.00 34.50 32.40 1pfl s PRO 28 CO 0.05 -0.62 0.74 -1.54 0.04 0.00 0.00 177.00 175.67 1pfl s SER 29 N -4.13 -0.53 -0.57 6.66 1.04 -0.12 -4.85 113.70 111.20 1pfl s SER 29 Ca 0.55 0.32 -0.22 0.00 0.48 0.00 0.00 55.95 57.08 1pfl s SER 29 Cb -0.11 0.49 0.06 0.00 0.10 0.00 0.00 66.02 66.56 1pfl s SER 29 CO 0.54 -0.68 0.84 -0.69 0.98 0.00 0.00 173.24 174.23 1pfl s VAL 30 N -2.31 4.54 0.25 5.02 1.01 -1.26 0.62 120.40 128.27 1pfl s VAL 30 Ca -0.03 -0.23 0.19 0.00 0.00 0.00 0.00 61.98 61.92 1pfl s VAL 30 Cb -0.01 -4.51 0.16 0.00 0.00 0.00 0.00 36.38 32.02 1pfl s VAL 30 CO -0.02 -1.12 1.81 -0.50 0.00 0.00 0.00 175.10 175.27 1pfl h TRP 31 N 9.28 0.00 -0.08 5.22 4.06 -1.09 -3.42 115.95 129.92 1pfl h TRP 31 Ca -0.28 0.00 0.10 0.00 2.06 0.00 0.00 58.89 60.78 1pfl h TRP 31 Cb 1.08 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 29.08 1pfl h TRP 31 CO 0.88 0.33 -0.06 0.00 -3.56 0.00 0.00 178.44 176.02 1pfl s ALA 32 N -3.82 -4.82 -0.06 1.49 0.00 -0.47 -4.95 121.76 109.14 1pfl s ALA 32 Ca -0.01 1.12 0.03 0.00 0.00 0.00 0.00 51.96 53.10 1pfl s ALA 32 Cb 0.12 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 1pfl s ALA 32 CO 0.67 -2.56 -0.14 0.00 0.00 0.00 0.00 175.76 173.74 1pfl s ALA 33 N 1.52 2.66 -0.55 0.00 0.00 -1.26 -2.07 121.76 122.07 1pfl s ALA 33 Ca 0.18 -0.96 -0.32 0.00 0.00 0.00 0.00 51.96 50.85 1pfl s ALA 33 Cb 0.09 -1.01 -0.13 0.00 0.00 0.00 0.00 23.12 22.07 1pfl s ALA 33 CO -0.14 0.51 2.37 0.28 0.00 0.00 0.00 175.76 178.78 1pfl n VAL 34 N 2.48 0.06 -1.48 0.00 0.31 -0.97 -4.61 118.33 114.12 1pfl n VAL 34 Ca -0.17 -0.32 -0.32 0.00 -0.01 0.00 0.00 64.34 63.52 1pfl n VAL 34 Cb 0.52 -1.61 0.07 0.00 -0.91 0.00 0.00 33.84 31.91 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 7.40 2.57 0.00 5.55 0.04 -1.26 -3.75 135.00 145.56 1pfl s PRO 35 Ca 1.14 1.18 0.00 0.00 0.04 0.00 0.00 61.00 63.36 1pfl s PRO 35 Cb -0.81 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 31.79 1pfl s PRO 35 CO 0.44 -1.40 0.00 0.41 0.04 0.00 0.00 177.00 176.49 1pfl n GLY 36 N -1.17 1.02 0.46 0.56 0.00 -1.26 -4.91 105.19 99.88 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 4.76 -1.25 -5.09 118.16 116.20 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 -0.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.94 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 -2.44 0.00 -0.35 -0.18 -1.04 -1.26 -5.00 114.28 104.01 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 0.09 0.00 -1.82 0.00 0.00 70.33 68.60 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 1.22 0.00 -1.42 -1.00 -1.81 -1.97 116.94 111.96 1pfl h PHE 39 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1pfl h PHE 39 Cb 0.00 -0.40 0.00 0.00 3.61 0.00 0.00 35.95 39.16 1pfl h PHE 39 CO 0.00 0.81 0.00 -0.24 -1.61 0.00 0.00 178.31 177.27 1pfl h VAL 40 N 1.28 0.00 -0.32 -0.55 3.04 -1.82 -0.26 116.25 117.63 1pfl h VAL 40 Ca 0.33 -0.12 -0.04 0.00 -1.01 0.00 0.00 66.70 65.87 1pfl h VAL 40 Cb -0.07 0.82 -0.02 0.00 -2.01 0.00 0.00 31.29 30.01 1pfl h VAL 40 CO -0.06 0.00 0.05 0.59 -1.01 0.00 0.00 177.57 177.13 1pfl n ASN 41 N -2.51 3.36 -4.64 3.17 4.13 -0.74 -4.69 115.26 113.34 1pfl n ASN 41 Ca -0.01 -2.51 -0.43 0.00 1.68 0.00 0.00 54.58 53.32 1pfl n ASN 41 Cb 0.12 -0.60 -0.03 0.00 -1.54 0.00 0.00 39.78 37.73 1pfl n ASN 41 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1pfl s ILE 42 N -1.84 3.68 0.57 2.41 1.01 -0.11 -4.54 121.20 122.38 1pfl s ILE 42 Ca 0.27 0.78 0.07 0.00 0.00 0.00 0.00 60.65 61.78 1pfl s ILE 42 Cb 0.21 -3.62 0.07 0.00 0.01 0.00 0.00 42.46 39.13 1pfl s ILE 42 CO 0.08 -0.20 0.59 0.42 0.00 0.00 0.00 174.94 175.83 1pfl s THR 43 N 4.77 1.76 -2.00 2.92 -4.23 -1.26 -4.56 115.64 113.05 1pfl s THR 43 Ca 0.72 -1.28 0.13 0.00 -1.18 0.00 0.00 61.69 60.08 1pfl s THR 43 Cb -0.28 -2.04 0.37 0.00 1.34 0.00 0.00 72.50 71.89 1pfl s THR 43 CO 0.28 0.00 1.21 -0.81 -0.54 0.00 0.00 174.62 174.77 1pfl n PRO 44 N -2.01 0.54 -0.04 3.99 -0.04 -1.26 -1.95 135.00 134.23 1pfl n PRO 44 Ca 0.06 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.50 1pfl n PRO 44 Cb 0.63 -1.37 -0.01 0.00 -0.04 0.00 0.00 33.50 32.71 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 2.84 0.00 -0.77 0.55 0.00 -1.95 0.33 119.26 120.25 1pfl h ALA 45 Ca 0.00 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.69 1pfl h ALA 45 Cb 0.00 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1pfl h ALA 45 CO 0.00 0.21 0.51 1.05 0.00 0.00 0.00 179.25 181.01 1pfl h GLU 46 N -0.60 0.84 0.00 0.00 9.09 -1.77 0.17 114.58 122.31 1pfl h GLU 46 Ca 0.00 -0.05 -0.14 0.00 0.05 0.00 0.00 59.36 59.22 1pfl h GLU 46 Cb 0.21 -0.19 -0.02 0.00 -1.65 0.00 0.00 28.75 27.10 1pfl h GLU 46 CO 0.00 0.55 -0.68 0.28 0.05 0.00 0.00 179.01 179.22 1pfl h VAL 47 N 0.86 1.19 -0.27 -1.06 2.07 -1.55 -2.69 116.25 114.80 1pfl h VAL 47 Ca 0.32 -2.62 0.08 0.00 0.82 0.00 0.00 66.70 65.31 1pfl h VAL 47 Cb 0.18 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1pfl h VAL 47 CO -0.11 0.67 0.22 1.23 0.02 0.00 0.00 177.57 179.60 1pfl h GLY 48 N 3.18 0.00 0.13 2.17 0.00 0.27 -0.16 103.07 108.67 1pfl h GLY 48 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.95 1pfl h GLY 48 CO 0.09 0.00 -2.33 1.55 0.00 0.00 0.00 176.54 175.85 1pfl n VAL 49 N -4.20 1.47 0.36 4.60 3.14 -1.03 -0.52 118.33 122.15 1pfl n VAL 49 Ca 0.04 -0.74 0.12 0.00 -2.96 0.00 0.00 64.34 60.80 1pfl n VAL 49 Cb 0.37 -0.95 0.51 0.00 -1.06 0.00 0.00 33.84 32.71 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 -3.01 0.67 0.00 6.55 4.77 -0.94 -3.98 117.00 121.06 1pfl n LEU 50 Ca -0.36 0.68 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1pfl n LEU 50 Cb 1.08 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1pfl n LEU 50 CO 0.37 -0.63 0.00 1.33 -1.33 0.00 0.00 177.39 177.13 1pfl n VAL 51 N -2.26 0.00 -1.53 4.08 0.24 -0.11 -5.05 118.33 113.70 1pfl n VAL 51 Ca 0.02 0.00 -0.49 0.00 -2.04 0.00 0.00 64.34 61.83 1pfl n VAL 51 Cb 0.20 0.43 -0.04 0.00 -1.47 0.00 0.00 33.84 32.97 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 -0.54 0.46 7.63 0.00 0.32 -4.76 105.19 108.30 1pfl n GLY 52 Ca 0.00 0.45 0.26 0.00 0.00 0.00 0.00 46.02 46.74 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 2.36 0.00 -6.50 1.61 5.09 -1.95 -3.39 116.57 113.79 1pfl h LYS 53 Ca -0.39 0.00 -0.56 0.00 0.09 0.00 0.00 60.65 59.79 1pfl h LYS 53 Cb 1.38 0.00 0.05 0.00 0.10 0.00 0.00 32.23 33.75 1pfl h LYS 53 CO 0.64 0.00 1.01 -3.47 -2.09 0.00 0.00 179.45 175.53 1pfl n ASP 54 N -3.83 3.69 -2.70 7.07 -0.08 -1.26 -4.90 116.55 114.53 1pfl n ASP 54 Ca 0.16 1.02 -0.13 0.00 -1.51 0.00 0.00 54.79 54.33 1pfl n ASP 54 Cb 0.97 -1.49 0.02 0.00 2.34 0.00 0.00 41.12 42.95 1pfl n ASP 54 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1pfl n ARG 55 N 4.89 1.55 0.00 -0.67 1.85 -1.26 -4.83 116.66 118.19 1pfl n ARG 55 Ca 0.18 -3.51 0.00 0.00 -1.00 0.00 0.00 57.85 53.52 1pfl n ARG 55 Cb 0.33 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.26 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 -0.09 0.00 0.00 2.89 2.88 -1.26 -5.00 113.62 113.03 1pfl n SER 56 Ca 0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1pfl n SER 56 Cb 0.76 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.22 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 0.00 0.00 0.10 -3.46 3.41 -1.26 -4.56 113.62 107.84 1pfl n SER 57 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 1pfl n SER 57 Cb 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.10 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 -0.28 0.00 0.03 7.33 -1.74 -1.26 -1.94 117.46 119.61 1pfl n PHE 58 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1pfl n PHE 58 Cb 0.00 -0.09 0.02 0.00 1.52 0.00 0.00 39.48 40.93 1pfl n PHE 58 CO 0.00 0.00 0.00 0.66 -0.56 0.00 0.00 176.76 176.86 1pfl n TYR 59 N -2.52 0.00 0.00 2.97 4.01 -1.26 -1.19 117.16 119.17 1pfl n TYR 59 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1pfl n TYR 59 Cb 1.05 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.93 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 -1.15 0.00 -0.09 -0.72 0.24 -0.82 -4.85 118.33 110.94 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 0.00 -0.84 -0.12 0.00 -1.47 0.00 0.00 33.84 31.41 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 -1.93 1.98 0.00 -1.34 0.23 -1.02 -5.03 115.26 108.15 1pfl n ASN 61 Ca 0.00 0.23 0.00 0.00 -0.53 0.00 0.00 54.58 54.28 1pfl n ASN 61 Cb 0.45 -0.79 0.00 0.00 -2.08 0.00 0.00 39.78 37.37 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 1.71 4.11 0.00 4.83 0.00 -0.33 -4.76 105.19 110.75 1pfl n GLY 62 Ca -0.41 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 0.33 -4.75 117.00 114.70 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 -0.04 0.36 0.42 -1.33 0.00 0.00 177.39 176.80 1pfl s THR 64 N 0.00 0.00 -0.28 -5.08 -4.23 -1.26 -2.31 115.64 102.48 1pfl s THR 64 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 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 0.07 -1.48 -0.54 0.00 0.00 174.62 172.67 1pfl s LEU 65 N 1.62 1.94 -0.66 4.79 0.05 -0.87 -4.31 118.68 121.23 1pfl s LEU 65 Ca -0.10 -1.39 0.00 0.00 0.05 0.00 0.00 54.13 52.69 1pfl s LEU 65 Cb -0.05 -0.80 0.00 0.00 -2.05 0.00 0.00 46.19 43.29 1pfl s LEU 65 CO -0.20 -0.38 0.00 0.61 -0.55 0.00 0.00 176.35 175.84 1pfl n GLY 66 N 4.90 0.10 1.63 -3.48 0.00 -1.26 -2.44 105.19 104.64 1pfl n GLY 66 Ca -0.05 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.06 0.55 3.12 -0.02 0.00 -1.26 -4.82 105.19 101.70 1pfl n GLY 67 Ca -0.09 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.78 2.07 -0.09 1.61 2.00 -1.02 -5.06 119.66 118.38 1pfl s GLN 68 Ca 0.00 -1.89 -0.29 0.00 -2.00 0.00 0.00 55.36 51.18 1pfl s GLN 68 Cb 0.00 -3.61 -0.07 0.00 0.80 0.00 0.00 33.01 30.13 1pfl s GLN 68 CO 0.00 -1.09 2.04 0.21 -0.50 0.00 0.00 175.29 175.95 1pfl s LYS 69 N 1.03 3.70 0.48 1.67 2.47 -1.26 -2.06 119.74 125.77 1pfl s LYS 69 Ca 0.09 2.29 0.07 0.00 -1.56 0.00 0.00 55.97 56.86 1pfl s LYS 69 Cb -0.23 -4.24 0.01 0.00 -1.46 0.00 0.00 37.83 31.92 1pfl s LYS 69 CO -0.04 -1.45 0.40 0.00 0.16 0.00 0.00 175.35 174.42 1pfl s SER 71 N -4.21 3.34 -0.32 0.00 1.04 -0.28 -0.51 113.70 112.76 1pfl s SER 71 Ca 0.43 -1.03 -0.42 0.00 0.48 0.00 0.00 55.95 55.41 1pfl s SER 71 Cb -0.02 -0.81 -0.17 0.00 0.10 0.00 0.00 66.02 65.11 1pfl s SER 71 CO 0.26 -0.30 1.67 0.52 0.98 0.00 0.00 173.24 176.37 1pfl n VAL 72 N 4.90 0.20 -3.30 5.02 0.31 -1.26 -1.87 118.33 122.33 1pfl n VAL 72 Ca -0.09 -0.04 -0.25 0.00 -0.01 0.00 0.00 64.34 63.95 1pfl n VAL 72 Cb 0.46 -0.98 -0.07 0.00 -0.91 0.00 0.00 33.84 32.33 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 4.28 0.76 0.00 2.52 5.41 0.29 -4.87 119.36 127.74 1pfl n ILE 73 Ca 0.27 -4.59 0.00 0.00 1.00 0.00 0.00 62.75 59.43 1pfl n ILE 73 Cb 0.08 -2.03 0.00 0.00 -0.71 0.00 0.00 39.64 36.98 1pfl n ILE 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1pfl n ARG 74 N 1.14 0.00 -3.57 0.38 1.74 -1.26 -3.49 116.66 111.59 1pfl n ARG 74 Ca 0.25 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.93 1pfl n ARG 74 Cb 0.47 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.80 1pfl n ARG 74 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1pfl s ASP 75 N 0.00 5.82 0.00 0.55 -1.08 -1.26 -1.77 116.67 118.93 1pfl s ASP 75 Ca 0.00 -0.75 0.00 0.00 -0.52 0.00 0.00 52.55 51.28 1pfl s ASP 75 Cb 0.00 -2.07 0.00 0.00 -1.46 0.00 0.00 42.92 39.39 1pfl s ASP 75 CO 0.00 -0.32 0.67 -0.24 0.52 0.00 0.00 175.17 175.80 1pfl n SER 76 N 5.05 0.74 -0.57 -0.34 2.88 -0.13 -4.88 113.62 116.37 1pfl n SER 76 Ca -0.12 -1.37 0.43 0.00 -1.33 0.00 0.00 58.87 56.49 1pfl n SER 76 Cb 0.48 0.00 0.67 0.00 -0.75 0.00 0.00 64.21 64.61 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 -0.18 0.03 -4.65 2.46 7.94 -1.21 -0.07 117.00 121.32 1pfl n LEU 77 Ca 0.00 0.89 -0.37 0.00 -1.11 0.00 0.00 56.01 55.42 1pfl n LEU 77 Cb 0.40 -0.44 -0.10 0.00 0.53 0.00 0.00 43.42 43.81 1pfl n LEU 77 CO 0.00 -0.90 -0.14 -0.76 -1.11 0.00 0.00 177.39 174.48 1pfl s LEU 78 N -7.46 4.10 -0.37 -1.96 1.43 -1.26 -4.13 118.68 109.03 1pfl s LEU 78 Ca -0.04 0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 53.08 1pfl s LEU 78 Cb 0.23 -2.16 -0.10 0.00 0.03 0.00 0.00 46.19 44.19 1pfl s LEU 78 CO 0.74 0.02 1.37 0.00 0.23 0.00 0.00 176.35 178.71 1pfl n GLN 79 N 4.48 0.03 -1.21 1.70 10.64 -1.26 -4.07 117.38 127.70 1pfl n GLN 79 Ca -0.14 -0.64 -0.24 0.00 -1.83 0.00 0.00 57.00 54.16 1pfl n GLN 79 Cb 0.52 -2.09 0.17 0.00 -0.86 0.00 0.00 30.24 27.98 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 9.97 4.05 0.00 2.61 2.03 -1.26 -4.71 116.55 129.24 1pfl n ASP 80 Ca 0.17 -3.64 0.00 0.00 0.52 0.00 0.00 54.79 51.83 1pfl n ASP 80 Cb 0.46 -0.84 0.00 0.00 -0.72 0.00 0.00 41.12 40.03 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 -1.12 1.10 2.15 0.27 0.00 -1.26 -4.93 105.19 101.39 1pfl n GLY 81 Ca 0.58 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.15 0.00 -0.45 1.61 4.71 -1.26 -5.01 120.64 119.09 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 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.67 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 -3.31 0.00 -3.36 -0.32 -1.74 0.90 -4.86 117.46 104.78 1pfl n PHE 83 Ca 0.00 0.00 -0.36 0.00 -0.56 0.00 0.00 57.45 56.53 1pfl n PHE 83 Cb 0.00 -1.39 -0.06 0.00 1.52 0.00 0.00 39.48 39.55 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 -1.77 6.87 -0.04 5.98 1.04 -1.21 -1.99 113.70 122.58 1pfl s SER 84 Ca 0.00 1.10 -0.01 0.00 0.48 0.00 0.00 55.95 57.52 1pfl s SER 84 Cb 0.00 -2.30 0.03 0.00 0.10 0.00 0.00 66.02 63.86 1pfl s SER 84 CO 0.00 0.17 0.08 -0.32 0.98 0.00 0.00 173.24 174.15 1pfl s MET 85 N -1.67 0.00 -1.22 4.02 1.75 0.15 -0.95 119.30 121.39 1pfl s MET 85 Ca 0.34 0.30 -0.12 0.00 -1.25 0.00 0.00 55.69 54.96 1pfl s MET 85 Cb -0.16 -0.27 0.18 0.00 2.84 0.00 0.00 34.83 37.43 1pfl s MET 85 CO 0.18 -0.20 1.54 -0.25 -0.65 0.00 0.00 175.02 175.64 1pfl n ASP 86 N 4.44 5.26 -4.57 1.11 8.00 -0.73 -0.64 116.55 129.43 1pfl n ASP 86 Ca -0.22 -3.04 -0.40 0.00 0.71 0.00 0.00 54.79 51.84 1pfl n ASP 86 Cb 0.50 -1.52 -0.09 0.00 -0.02 0.00 0.00 41.12 40.00 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 0.68 4.28 -0.09 0.64 -0.00 -0.26 0.11 118.68 124.04 1pfl s LEU 87 Ca 0.41 -0.03 0.01 0.00 -0.00 0.00 0.00 54.13 54.52 1pfl s LEU 87 Cb 0.00 -2.40 -0.02 0.00 -0.00 0.00 0.00 46.19 43.77 1pfl s LEU 87 CO 0.00 -0.30 -0.13 0.00 -0.00 0.00 0.00 176.35 175.92 1pfl s ARG 88 N 2.09 2.95 -0.81 1.48 1.70 -0.78 -1.70 118.95 123.88 1pfl s ARG 88 Ca 0.14 -0.67 -0.24 0.00 -0.47 0.00 0.00 55.73 54.49 1pfl s ARG 88 Cb -0.16 -2.53 -0.16 0.00 -0.57 0.00 0.00 34.95 31.53 1pfl s ARG 88 CO 0.11 0.43 2.39 0.25 -1.08 0.00 0.00 175.30 177.41 1pfl n THR 89 N 2.88 -0.00 -2.59 4.99 -2.24 0.33 -1.13 114.28 116.52 1pfl n THR 89 Ca -0.18 -0.51 -0.35 0.00 -2.27 0.00 0.00 64.05 60.75 1pfl n THR 89 Cb 0.52 -1.77 -0.04 0.00 -2.10 0.00 0.00 70.33 66.94 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 8.69 4.02 0.55 -0.78 1.02 -1.26 -2.35 119.74 129.64 1pfl s LYS 90 Ca 0.98 1.38 0.06 0.00 0.02 0.00 0.00 55.97 58.41 1pfl s LYS 90 Cb -0.22 -2.30 0.06 0.00 -0.52 0.00 0.00 37.83 34.86 1pfl s LYS 90 CO 0.14 -0.25 0.76 0.45 -0.92 0.00 0.00 175.35 175.54 1pfl s SER 91 N -1.84 5.15 -0.32 2.83 0.15 -1.26 -4.94 113.70 113.48 1pfl s SER 91 Ca 0.62 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 56.76 1pfl s SER 91 Cb -0.18 -0.19 0.14 0.00 -1.71 0.00 0.00 66.02 64.08 1pfl s SER 91 CO 0.22 -1.24 0.32 0.42 1.20 0.00 0.00 173.24 174.16 1pfl s THR 92 N -2.67 -0.38 -0.07 6.45 -4.23 -1.26 -4.94 115.64 108.53 1pfl s THR 92 Ca 0.60 -0.66 -0.02 0.00 -1.18 0.00 0.00 61.69 60.43 1pfl s THR 92 Cb -0.07 -0.90 0.00 0.00 1.34 0.00 0.00 72.50 72.87 1pfl s THR 92 CO 0.38 -0.51 0.08 0.61 -0.54 0.00 0.00 174.62 174.64 1pfl n GLY 93 N 4.97 -1.37 3.08 3.99 0.00 -1.26 -4.30 105.19 110.30 1pfl n GLY 93 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.32 0.28 3.86 -0.02 0.00 -1.26 -4.99 105.19 102.74 1pfl n GLY 94 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.74 2.97 -0.07 4.61 0.00 -1.26 -5.03 121.76 121.24 1pfl s ALA 95 Ca 0.00 -0.07 -0.19 0.00 0.00 0.00 0.00 51.96 51.71 1pfl s ALA 95 Cb 0.00 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 1pfl s ALA 95 CO 0.00 -0.87 0.51 -1.25 0.00 0.00 0.00 175.76 174.15 1pfl s PRO 96 N -5.16 4.28 0.43 0.00 0.04 -1.26 -4.68 135.00 128.65 1pfl s PRO 96 Ca 0.56 0.54 0.01 0.00 0.04 0.00 0.00 61.00 62.15 1pfl s PRO 96 Cb -0.12 -3.38 -0.00 0.00 0.04 0.00 0.00 34.50 31.04 1pfl s PRO 96 CO 0.54 0.29 0.63 0.95 0.04 0.00 0.00 177.00 179.45 1pfl s THR 97 N 0.17 4.01 -0.11 1.26 -4.23 -1.26 -4.67 115.64 110.80 1pfl s THR 97 Ca 0.27 -0.59 -0.10 0.00 -1.18 0.00 0.00 61.69 60.10 1pfl s THR 97 Cb -0.16 -3.46 0.03 0.00 1.34 0.00 0.00 72.50 70.24 1pfl s THR 97 CO 0.13 -0.30 0.30 -0.36 -0.54 0.00 0.00 174.62 173.84 1pfl s PHE 98 N -2.48 -0.34 0.12 3.99 0.08 -0.99 -4.64 117.98 113.72 1pfl s PHE 98 Ca 0.48 0.81 0.08 0.00 0.12 0.00 0.00 56.93 58.42 1pfl s PHE 98 Cb -0.10 0.11 -0.04 0.00 -0.57 0.00 0.00 43.02 42.42 1pfl s PHE 98 CO 0.37 -0.17 -0.11 -0.80 -0.10 0.00 0.00 175.22 174.41 1pfl s ASN 99 N 0.30 4.32 0.04 1.36 0.01 -0.83 0.12 114.94 120.27 1pfl s ASN 99 Ca -0.01 -0.45 0.02 0.00 -0.71 0.00 0.00 52.86 51.71 1pfl s ASN 99 Cb -0.03 -0.78 -0.02 0.00 0.41 0.00 0.00 41.25 40.82 1pfl s ASN 99 CO -0.01 0.16 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.97 1pfl s VAL 100 N -1.33 0.52 -0.12 1.60 1.01 -0.69 0.16 120.40 121.56 1pfl s VAL 100 Ca 0.22 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1pfl s VAL 100 Cb -0.10 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.70 1pfl s VAL 100 CO 0.14 -0.39 -0.16 -0.89 0.00 0.00 0.00 175.10 173.81 1pfl s THR 101 N -1.38 1.57 -0.17 3.92 2.01 0.53 -1.10 115.64 121.01 1pfl s THR 101 Ca -0.10 -0.67 -0.02 0.00 0.31 0.00 0.00 61.69 61.21 1pfl s THR 101 Cb -0.10 -1.44 -0.01 0.00 0.01 0.00 0.00 72.50 70.96 1pfl s THR 101 CO 0.00 0.46 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.61 1pfl s VAL 102 N 1.11 3.16 -0.26 3.82 1.01 0.19 -0.60 120.40 128.83 1pfl s VAL 102 Ca -0.04 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1pfl s VAL 102 Cb -0.14 -2.38 0.04 0.00 0.00 0.00 0.00 36.38 33.89 1pfl s VAL 102 CO -0.04 0.48 -0.06 0.42 0.00 0.00 0.00 175.10 175.90 1pfl s THR 103 N 0.91 2.73 -0.38 3.92 -4.23 -0.23 -0.67 115.64 117.69 1pfl s THR 103 Ca -0.02 -1.21 -0.19 0.00 -1.18 0.00 0.00 61.69 59.09 1pfl s THR 103 Cb -0.15 -2.46 0.01 0.00 1.34 0.00 0.00 72.50 71.24 1pfl s THR 103 CO 0.00 0.11 0.56 -0.75 -0.54 0.00 0.00 174.62 174.00 1pfl s LYS 104 N 1.27 3.51 0.00 3.99 2.47 -0.84 -1.42 119.74 128.72 1pfl s LYS 104 Ca -0.02 -0.21 0.00 0.00 -1.56 0.00 0.00 55.97 54.17 1pfl s LYS 104 Cb -0.18 -3.85 0.00 0.00 -1.46 0.00 0.00 37.83 32.34 1pfl s LYS 104 CO -0.04 -0.76 0.00 0.25 0.16 0.00 0.00 175.35 174.96 1pfl n THR 105 N 5.55 0.00 -0.04 3.43 -2.24 -0.61 -4.75 114.28 115.63 1pfl n THR 105 Ca -0.04 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.65 1pfl n THR 105 Cb 0.48 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.57 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 0.75 -0.15 3.42 -0.08 -1.26 -4.56 116.55 114.67 1pfl n ASP 106 Ca 0.00 0.31 0.01 0.00 -1.51 0.00 0.00 54.79 53.59 1pfl n ASP 106 Cb 0.00 0.14 0.01 0.00 2.34 0.00 0.00 41.12 43.60 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 -3.00 0.44 -4.18 -0.67 5.02 -1.23 -5.08 118.16 109.46 1pfl n LYS 107 Ca -0.21 -0.90 -0.15 0.00 -2.02 0.00 0.00 58.31 55.02 1pfl n LYS 107 Cb 1.08 -0.62 -0.11 0.00 -0.02 0.00 0.00 35.03 35.35 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 -0.30 1.01 -0.60 -0.18 -4.23 -1.26 -4.25 115.64 105.82 1pfl s THR 108 Ca 0.02 -1.57 0.04 0.00 -1.18 0.00 0.00 61.69 59.00 1pfl s THR 108 Cb 0.02 -1.30 0.15 0.00 1.34 0.00 0.00 72.50 72.71 1pfl s THR 108 CO 0.00 -0.48 0.37 -0.22 -0.54 0.00 0.00 174.62 173.75 1pfl s LEU 109 N -2.29 4.58 0.27 4.79 0.20 -0.59 -1.57 118.68 124.08 1pfl s LEU 109 Ca 0.04 -3.33 -0.29 0.00 0.69 0.00 0.00 54.13 51.24 1pfl s LEU 109 Cb -0.05 -1.66 -0.09 0.00 -0.43 0.00 0.00 46.19 43.96 1pfl s LEU 109 CO 0.01 -0.18 0.94 -0.69 -0.29 0.00 0.00 176.35 176.14 1pfl s VAL 110 N -0.74 4.11 0.05 1.68 1.01 -0.51 -1.41 120.40 124.60 1pfl s VAL 110 Ca 0.20 1.98 0.06 0.00 0.00 0.00 0.00 61.98 64.23 1pfl s VAL 110 Cb -0.17 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 1pfl s VAL 110 CO -0.06 0.37 -0.17 -0.76 0.00 0.00 0.00 175.10 174.47 1pfl s LEU 111 N -1.50 2.20 -0.35 3.92 1.43 0.74 -1.07 118.68 124.04 1pfl s LEU 111 Ca 0.44 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1pfl s LEU 111 Cb -0.23 -0.76 0.11 0.00 0.03 0.00 0.00 46.19 45.34 1pfl s LEU 111 CO 0.29 0.07 0.15 -0.22 0.23 0.00 0.00 176.35 176.87 1pfl s LEU 112 N -1.32 2.35 0.21 1.79 1.98 0.23 -1.36 118.68 122.56 1pfl s LEU 112 Ca 0.04 -1.99 0.05 0.00 -2.89 0.00 0.00 54.13 49.34 1pfl s LEU 112 Cb -0.09 -0.90 -0.03 0.00 0.66 0.00 0.00 46.19 45.83 1pfl s LEU 112 CO 0.02 -0.36 0.23 -0.32 -1.89 0.00 0.00 176.35 174.03 1pfl s MET 113 N 1.18 3.13 0.00 1.98 -2.45 -0.42 -0.35 119.30 122.37 1pfl s MET 113 Ca 0.13 -0.86 0.00 0.00 -1.25 0.00 0.00 55.69 53.71 1pfl s MET 113 Cb -0.20 -2.73 0.00 0.00 1.25 0.00 0.00 34.83 33.15 1pfl s MET 113 CO -0.15 0.45 0.00 0.41 1.05 0.00 0.00 175.02 176.78 1pfl n GLY 114 N -0.90 4.07 3.19 2.11 0.00 0.42 -0.44 105.19 113.64 1pfl n GLY 114 Ca -0.08 -1.54 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 1pfl n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfl s LYS 115 N -3.61 0.30 -0.58 1.61 1.02 -1.24 -1.95 119.74 115.29 1pfl s LYS 115 Ca 0.00 0.94 -0.03 0.00 0.02 0.00 0.00 55.97 56.90 1pfl s LYS 115 Cb 0.00 0.20 0.15 0.00 -0.52 0.00 0.00 37.83 37.66 1pfl s LYS 115 CO 0.00 -0.29 0.39 -2.00 -0.92 0.00 0.00 175.35 172.53 1pfl s GLU 116 N 2.58 2.45 0.00 1.68 2.12 -0.82 -4.62 118.70 122.08 1pfl s GLU 116 Ca 0.00 -2.39 0.00 0.00 0.36 0.00 0.00 54.97 52.94 1pfl s GLU 116 Cb -0.12 -3.70 0.00 0.00 0.26 0.00 0.00 34.13 30.57 1pfl s GLU 116 CO -0.12 -1.15 0.00 0.41 -0.54 0.00 0.00 175.26 173.85 1pfl n GLY 117 N 3.71 0.00 2.66 -1.50 0.00 -1.26 -4.78 105.19 104.03 1pfl n GLY 117 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.54 1.46 -0.05 1.61 3.14 -1.26 -4.93 118.33 116.76 1pfl n VAL 118 Ca 0.00 -0.36 -0.15 0.00 -2.96 0.00 0.00 64.34 60.87 1pfl n VAL 118 Cb 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.65 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 0.89 0.09 0.00 1.45 2.76 -1.92 -3.49 115.15 114.92 1pfl h HIS 119 Ca -0.23 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 57.88 1pfl h HIS 119 Cb 1.13 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.08 1pfl h HIS 119 CO 0.34 1.00 0.00 0.41 -1.30 0.00 0.00 177.93 178.37 1pfl n GLY 120 N 1.47 1.62 0.05 5.26 0.00 -1.26 -4.98 105.19 107.35 1pfl n GLY 120 Ca -0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.03 1pfl n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pfl n GLY 121 N 0.00 -1.19 0.07 -0.02 0.00 -1.26 -3.49 105.19 99.31 1pfl n GLY 121 Ca 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 1pfl n GLY 121 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pfl h LEU 122 N 0.00 0.08 -0.37 0.99 -0.00 -1.98 -2.52 115.31 111.51 1pfl h LEU 122 Ca 0.00 -0.10 -0.18 0.00 -0.00 0.00 0.00 57.88 57.60 1pfl h LEU 122 Cb 0.96 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.60 1pfl h LEU 122 CO 0.00 1.08 -0.58 0.40 -0.00 0.00 0.00 178.44 179.34 1pfl h ILE 123 N 0.01 1.30 -0.06 1.22 2.04 -1.96 0.21 117.51 120.27 1pfl h ILE 123 Ca -0.11 -1.80 -0.02 0.00 1.00 0.00 0.00 64.86 63.93 1pfl h ILE 123 Cb 1.87 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 39.68 1pfl h ILE 123 CO 0.13 0.57 -0.07 -1.13 0.00 0.00 0.00 178.15 177.65 1pfl h ASN 124 N 0.55 0.08 1.40 1.72 -1.24 -1.59 0.42 115.58 116.92 1pfl h ASN 124 Ca 0.00 -0.01 -0.06 0.00 0.71 0.00 0.00 56.30 56.94 1pfl h ASN 124 Cb 1.17 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 40.19 1pfl h ASN 124 CO 0.12 0.17 -0.62 0.11 -1.29 0.00 0.00 177.43 175.92 1pfl h LYS 125 N 0.09 0.00 0.00 6.67 1.79 -0.95 -2.46 116.57 121.71 1pfl h LYS 125 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1pfl h LYS 125 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1pfl h LYS 125 CO 0.01 0.22 -0.60 1.63 -1.08 0.00 0.00 179.45 179.63 1pfl n LYS 126 N -3.02 0.24 -0.02 3.15 5.02 0.70 -2.02 118.16 122.22 1pfl n LYS 126 Ca 0.00 0.07 -0.11 0.00 -2.02 0.00 0.00 58.31 56.26 1pfl n LYS 126 Cb 0.66 -1.65 -0.14 0.00 -0.02 0.00 0.00 35.03 33.87 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 0.01 0.10 0.11 0.00 3.20 -1.47 -1.39 116.97 117.55 1pfl h TYR 128 Ca -0.30 -0.03 -0.21 0.00 3.14 0.00 0.00 58.73 61.33 1pfl h TYR 128 Cb 2.02 -0.02 0.01 0.00 1.54 0.00 0.00 36.73 40.27 1pfl h TYR 128 CO 0.01 0.58 -0.99 0.93 -1.64 0.00 0.00 178.16 177.05 1pfl h GLU 129 N 0.07 0.24 -0.45 1.82 4.39 -1.45 0.11 114.58 119.31 1pfl h GLU 129 Ca -0.00 -0.41 0.06 0.00 0.34 0.00 0.00 59.36 59.34 1pfl h GLU 129 Cb 0.93 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.68 1pfl h GLU 129 CO 0.07 1.20 0.17 1.98 -1.16 0.00 0.00 179.01 181.27 1pfl h MET 130 N -0.43 0.34 0.00 2.33 4.05 -1.31 -0.33 114.93 119.57 1pfl h MET 130 Ca -0.20 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.15 1pfl h MET 130 Cb 1.62 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 32.34 1pfl h MET 130 CO 0.09 0.22 -0.22 0.00 0.23 0.00 0.00 176.91 177.23 1pfl h ALA 131 N 1.29 0.87 -0.44 0.39 0.00 -1.37 -3.08 119.26 116.92 1pfl h ALA 131 Ca 0.21 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1pfl h ALA 131 Cb 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1pfl h ALA 131 CO -0.21 0.27 0.29 0.77 0.00 0.00 0.00 179.25 180.38 1pfl h SER 132 N 0.00 0.33 0.30 0.00 0.02 0.10 0.27 113.55 114.58 1pfl h SER 132 Ca -0.00 -0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 1pfl h SER 132 Cb 1.13 -0.07 0.03 0.00 0.14 0.00 0.00 62.40 63.63 1pfl h SER 132 CO 0.03 0.22 -1.43 -0.74 -1.14 0.00 0.00 176.83 173.77 1pfl h HIS 133 N 0.38 0.93 0.00 3.45 2.76 -1.41 -2.03 115.15 119.23 1pfl h HIS 133 Ca 0.19 -0.67 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 1pfl h HIS 133 Cb 0.26 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.18 1pfl h HIS 133 CO -0.00 1.52 0.00 1.28 -1.30 0.00 0.00 177.93 179.43 1pfl n LEU 134 N -3.70 0.57 0.01 0.26 4.32 -0.16 0.15 117.00 118.45 1pfl n LEU 134 Ca -0.15 0.68 -0.19 0.00 -0.02 0.00 0.00 56.01 56.32 1pfl n LEU 134 Cb 1.09 -0.65 -0.14 0.00 -1.62 0.00 0.00 43.42 42.10 1pfl n LEU 134 CO 0.60 -0.66 -0.70 0.03 -1.22 0.00 0.00 177.39 175.44 1pfl h ARG 135 N 0.00 0.23 -0.00 3.23 2.47 -0.50 -3.21 114.38 116.60 1pfl h ARG 135 Ca 0.00 -0.40 0.00 0.00 -1.26 0.00 0.00 59.98 58.32 1pfl h ARG 135 Cb 0.23 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1pfl h ARG 135 CO 0.00 1.10 -0.01 0.54 0.56 0.00 0.00 179.97 182.15 1pfl n ARG 136 N -3.42 0.74 0.15 0.04 5.12 -0.40 -2.86 116.66 116.03 1pfl n ARG 136 Ca -0.27 -0.06 0.12 0.00 -1.93 0.00 0.00 57.85 55.71 1pfl n ARG 136 Cb 1.05 -1.50 0.15 0.00 -1.16 0.00 0.00 32.46 31.00 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 -0.99 0.55 4.64 0.15 -3.48 113.55 114.56 1pfl h SER 137 Ca 0.00 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 1pfl h SER 137 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1pfl h SER 137 CO 0.00 0.02 -0.12 1.67 -0.87 0.00 0.00 176.83 177.53 1pfl n GLN 138 N -2.72 -0.69 0.00 4.77 7.27 -1.14 -5.06 117.38 119.82 1pfl n GLN 138 Ca 0.03 0.20 0.02 0.00 0.07 0.00 0.00 57.00 57.32 1pfl n GLN 138 Cb 0.51 -3.73 0.02 0.00 2.41 0.00 0.00 30.24 29.44 1pfl n GLN 138 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79