#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5h s SER 2 N 0.00 4.70 -0.16 1.61 0.15 -1.26 -5.13 113.70 113.61 1x5h s SER 2 Ca 0.00 -1.07 -0.04 0.00 0.70 0.00 0.00 55.95 55.54 1x5h s SER 2 Cb 0.00 -0.09 0.06 0.00 -1.71 0.00 0.00 66.02 64.28 1x5h s SER 2 CO 0.00 -0.84 0.07 -0.44 1.20 0.00 0.00 173.24 173.24 1x5h s SER 3 N -4.14 2.31 0.41 5.45 0.01 -1.26 -5.14 113.70 111.34 1x5h s SER 3 Ca 0.39 -0.57 0.05 0.00 1.31 0.00 0.00 55.95 57.13 1x5h s SER 3 Cb -0.01 -0.30 -0.02 0.00 0.21 0.00 0.00 66.02 65.90 1x5h s SER 3 CO 0.23 -0.33 0.17 0.61 0.41 0.00 0.00 173.24 174.34 1x5h n GLY 4 N 5.24 3.15 0.08 3.44 0.00 -1.26 -5.09 105.19 110.75 1x5h n GLY 4 Ca -0.07 -2.09 -0.12 0.00 0.00 0.00 0.00 46.02 43.75 1x5h n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1x5h h SER 5 N 1.75 0.00 -6.76 1.61 4.64 -2.07 -3.47 113.55 109.24 1x5h h SER 5 Ca -0.31 -0.24 -0.56 0.00 -0.47 0.00 0.00 61.79 60.21 1x5h h SER 5 Cb 1.25 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 63.03 1x5h h SER 5 CO 0.49 1.05 -0.82 -0.24 -0.87 0.00 0.00 176.83 176.44 1x5h n SER 6 N -4.55 -1.03 -1.53 4.97 2.88 -1.26 -4.87 113.62 108.22 1x5h n SER 6 Ca -0.17 -1.11 0.00 0.00 -1.33 0.00 0.00 58.87 56.25 1x5h n SER 6 Cb 0.43 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 1x5h n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5h n GLY 7 N -1.33 5.00 2.26 0.46 0.00 -1.26 -5.05 105.19 105.26 1x5h n GLY 7 Ca 0.01 -2.17 -0.30 0.00 0.00 0.00 0.00 46.02 43.57 1x5h n GLY 7 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1x5h n ASP 8 N -0.79 6.18 -4.55 1.61 5.75 -1.26 -4.99 116.55 118.50 1x5h n ASP 8 Ca 0.00 -3.77 -0.39 0.00 -0.01 0.00 0.00 54.79 50.62 1x5h n ASP 8 Cb 0.00 -0.66 -0.03 0.00 -1.03 0.00 0.00 41.12 39.40 1x5h n ASP 8 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1x5h s VAL 9 N -4.82 3.44 -0.28 2.12 1.01 -1.26 -4.90 120.40 115.71 1x5h s VAL 9 Ca 0.56 0.22 -0.34 0.00 0.00 0.00 0.00 61.98 62.42 1x5h s VAL 9 Cb 0.45 -4.17 -0.15 0.00 0.00 0.00 0.00 36.38 32.50 1x5h s VAL 9 CO -0.04 -1.14 1.11 0.00 0.00 0.00 0.00 175.10 175.03 1x5h n ALA 10 N 12.00 -1.52 -2.14 5.51 0.00 -1.26 -4.93 120.51 128.18 1x5h n ALA 10 Ca 0.17 0.40 -0.09 0.00 0.00 0.00 0.00 53.44 53.92 1x5h n ALA 10 Cb 0.51 -1.43 -0.10 0.00 0.00 0.00 0.00 19.45 18.43 1x5h n ALA 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x5h s VAL 11 N 1.69 0.35 -0.05 0.00 0.11 -1.26 -5.10 120.40 116.13 1x5h s VAL 11 Ca 0.77 -1.88 -0.06 0.00 -2.93 0.00 0.00 61.98 57.88 1x5h s VAL 11 Cb -1.09 -1.74 -0.02 0.00 -1.53 0.00 0.00 36.38 32.00 1x5h s VAL 11 CO 0.57 -0.80 -0.12 0.54 -3.33 0.00 0.00 175.10 171.97 1x5h n ARG 12 N -0.01 0.18 -3.64 1.54 5.12 -1.26 -5.05 116.66 113.54 1x5h n ARG 12 Ca -0.11 0.07 -0.20 0.00 -1.93 0.00 0.00 57.85 55.69 1x5h n ARG 12 Cb 0.62 -0.76 -0.01 0.00 -1.16 0.00 0.00 32.46 31.15 1x5h n ARG 12 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1x5h s THR 13 N -1.74 4.39 -0.84 0.55 -4.23 -1.26 -5.06 115.64 107.45 1x5h s THR 13 Ca -0.10 -1.02 -0.15 0.00 -1.18 0.00 0.00 61.69 59.24 1x5h s THR 13 Cb 0.01 -3.52 0.21 0.00 1.34 0.00 0.00 72.50 70.54 1x5h s THR 13 CO 0.15 -0.21 0.81 -0.76 -0.54 0.00 0.00 174.62 174.07 1x5h s LEU 14 N -4.10 6.53 0.32 4.79 1.43 -1.26 -4.98 118.68 121.42 1x5h s LEU 14 Ca 0.41 -2.60 -0.18 0.00 -1.03 0.00 0.00 54.13 50.73 1x5h s LEU 14 Cb -0.09 -2.24 0.06 0.00 0.03 0.00 0.00 46.19 43.95 1x5h s LEU 14 CO 0.30 -0.64 0.84 -0.94 0.23 0.00 0.00 176.35 176.15 1x5h s SER 15 N 2.36 -0.03 -0.58 2.29 1.04 -1.26 -5.09 113.70 112.44 1x5h s SER 15 Ca 0.20 -0.97 0.06 0.00 0.48 0.00 0.00 55.95 55.72 1x5h s SER 15 Cb -0.10 0.75 0.29 0.00 0.10 0.00 0.00 66.02 67.07 1x5h s SER 15 CO -0.09 -1.48 0.81 -0.90 0.98 0.00 0.00 173.24 172.56 1x5h n ASP 16 N -1.25 3.54 -3.73 7.02 5.68 -1.26 -5.05 116.55 121.51 1x5h n ASP 16 Ca -0.07 -3.45 -0.10 0.00 -0.50 0.00 0.00 54.79 50.68 1x5h n ASP 16 Cb 0.60 -0.62 -0.05 0.00 -1.14 0.00 0.00 41.12 39.91 1x5h n ASP 16 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1x5h s VAL 17 N -3.16 0.07 0.26 2.12 -7.23 -1.26 -4.70 120.40 106.50 1x5h s VAL 17 Ca 0.43 -0.80 -0.30 0.00 -1.81 0.00 0.00 61.98 59.50 1x5h s VAL 17 Cb 0.22 -1.35 -0.09 0.00 0.56 0.00 0.00 36.38 35.72 1x5h s VAL 17 CO -0.07 -0.33 1.26 -2.16 -0.31 0.00 0.00 175.10 173.49 1x5h s PRO 18 N -3.85 4.43 -0.30 4.82 0.04 -1.26 -4.95 135.00 133.93 1x5h s PRO 18 Ca 0.06 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.23 1x5h s PRO 18 Cb 0.02 -3.16 0.46 0.00 0.04 0.00 0.00 34.50 31.86 1x5h s PRO 18 CO -0.09 -0.13 1.30 0.45 0.04 0.00 0.00 177.00 178.57 1x5h n SER 19 N 1.77 3.94 -4.01 6.66 2.88 -1.26 -3.98 113.62 119.62 1x5h n SER 19 Ca 0.03 -3.80 -0.21 0.00 -1.33 0.00 0.00 58.87 53.56 1x5h n SER 19 Cb 0.43 -0.48 -0.16 0.00 -0.75 0.00 0.00 64.21 63.25 1x5h n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x5h s ALA 20 N -3.47 0.92 0.32 -1.46 0.00 -1.26 -4.94 121.76 111.87 1x5h s ALA 20 Ca 0.48 -0.36 0.11 0.00 0.00 0.00 0.00 51.96 52.18 1x5h s ALA 20 Cb 0.41 -0.34 -0.06 0.00 0.00 0.00 0.00 23.12 23.13 1x5h s ALA 20 CO 0.00 0.15 -0.14 0.00 0.00 0.00 0.00 175.76 175.77 1x5h s ALA 21 N 0.18 2.87 0.11 0.00 0.00 -1.26 -4.29 121.76 119.37 1x5h s ALA 21 Ca -0.03 -2.00 -0.31 0.00 0.00 0.00 0.00 51.96 49.62 1x5h s ALA 21 Cb -0.09 -0.15 -0.08 0.00 0.00 0.00 0.00 23.12 22.81 1x5h s ALA 21 CO 0.01 0.17 1.36 -1.25 0.00 0.00 0.00 175.76 176.05 1x5h s PRO 22 N -3.57 4.33 0.32 0.00 0.04 -1.26 -4.15 135.00 130.72 1x5h s PRO 22 Ca 0.31 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.44 1x5h s PRO 22 Cb -0.01 -3.26 0.05 0.00 0.04 0.00 0.00 34.50 31.33 1x5h s PRO 22 CO 0.16 -0.41 0.44 1.04 0.04 0.00 0.00 177.00 178.27 1x5h n GLN 23 N 3.93 0.72 -3.85 4.56 6.02 -0.49 -4.62 117.38 123.64 1x5h n GLN 23 Ca 0.11 -1.65 -0.28 0.00 -0.01 0.00 0.00 57.00 55.17 1x5h n GLN 23 Cb 0.43 -0.16 0.03 0.00 1.02 0.00 0.00 30.24 31.56 1x5h n GLN 23 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x5h n ASN 24 N -2.68 -4.31 -4.77 1.08 3.02 -1.26 -0.79 115.26 105.55 1x5h n ASN 24 Ca 0.09 -0.77 -0.40 0.00 -0.03 0.00 0.00 54.58 53.47 1x5h n ASN 24 Cb 0.32 -4.01 -0.01 0.00 -0.61 0.00 0.00 39.78 35.48 1x5h n ASN 24 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1x5h s LEU 25 N -7.18 4.28 0.08 3.41 2.96 -1.26 -4.27 118.68 116.70 1x5h s LEU 25 Ca 0.54 2.78 -0.20 0.00 -0.22 0.00 0.00 54.13 57.03 1x5h s LEU 25 Cb -0.27 -3.79 0.05 0.00 0.50 0.00 0.00 46.19 42.67 1x5h s LEU 25 CO 0.82 -0.82 0.48 -0.44 -1.32 0.00 0.00 176.35 175.07 1x5h s SER 26 N -0.52 -0.38 -0.29 3.68 0.01 0.90 -4.98 113.70 112.12 1x5h s SER 26 Ca 0.54 -0.01 -0.01 0.00 1.31 0.00 0.00 55.95 57.78 1x5h s SER 26 Cb -0.41 0.49 0.09 0.00 0.21 0.00 0.00 66.02 66.40 1x5h s SER 26 CO 0.54 -0.78 0.08 -0.76 0.41 0.00 0.00 173.24 172.72 1x5h s LEU 27 N -2.32 2.11 -1.23 2.44 1.43 -1.26 -0.87 118.68 118.97 1x5h s LEU 27 Ca -0.02 -1.50 -0.12 0.00 -1.03 0.00 0.00 54.13 51.46 1x5h s LEU 27 Cb 0.00 -0.84 0.17 0.00 0.03 0.00 0.00 46.19 45.55 1x5h s LEU 27 CO -0.06 -0.39 1.57 1.21 0.23 0.00 0.00 176.35 178.91 1x5h n GLU 28 N 4.87 3.47 -1.52 1.70 2.13 0.22 -4.90 120.64 126.61 1x5h n GLU 28 Ca -0.04 -3.77 -0.37 0.00 0.66 0.00 0.00 57.16 53.64 1x5h n GLU 28 Cb 0.43 -2.98 -0.10 0.00 0.27 0.00 0.00 31.44 29.05 1x5h n GLU 28 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1x5h n VAL 29 N 4.09 -0.04 -0.01 6.31 0.31 -1.26 -2.44 118.33 125.29 1x5h n VAL 29 Ca 0.37 -0.36 -0.13 0.00 -0.01 0.00 0.00 64.34 64.22 1x5h n VAL 29 Cb 0.40 -1.45 -0.09 0.00 -0.91 0.00 0.00 33.84 31.79 1x5h n VAL 29 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1x5h h ARG 30 N 15.06 0.06 0.00 5.55 2.47 -1.89 -3.47 114.38 132.17 1x5h h ARG 30 Ca -0.12 -0.03 -0.30 0.00 -1.26 0.00 0.00 59.98 58.28 1x5h h ARG 30 Cb 1.28 -0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.52 1x5h h ARG 30 CO 1.30 0.45 -0.26 0.09 0.56 0.00 0.00 179.97 182.10 1x5h n ASN 31 N -4.85 0.53 0.18 7.04 3.02 -0.75 -4.75 115.26 115.68 1x5h n ASN 31 Ca -0.08 -2.23 0.07 0.00 -0.03 0.00 0.00 54.58 52.30 1x5h n ASN 31 Cb 0.23 0.72 0.14 0.00 -0.61 0.00 0.00 39.78 40.26 1x5h n ASN 31 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1x5h h SER 32 N 1.01 0.00 0.00 6.41 4.64 -1.81 -3.28 113.55 120.52 1x5h h SER 32 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1x5h h SER 32 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1x5h h SER 32 CO 0.25 0.30 -1.62 2.29 -0.87 0.00 0.00 176.83 177.19 1x5h n LYS 33 N -3.21 0.52 -4.42 4.77 2.85 -1.26 -3.77 118.16 113.64 1x5h n LYS 33 Ca 0.02 -0.13 -0.30 0.00 -1.05 0.00 0.00 58.31 56.86 1x5h n LYS 33 Cb 0.62 -1.34 -0.12 0.00 -0.65 0.00 0.00 35.03 33.55 1x5h n LYS 33 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1x5h s SER 34 N -3.61 3.95 -0.03 -5.58 1.04 -1.24 -0.22 113.70 108.02 1x5h s SER 34 Ca -0.05 -0.47 -0.01 0.00 0.48 0.00 0.00 55.95 55.90 1x5h s SER 34 Cb 0.09 -0.63 0.03 0.00 0.10 0.00 0.00 66.02 65.62 1x5h s SER 34 CO 0.60 0.21 0.03 -0.63 0.98 0.00 0.00 173.24 174.43 1x5h s ILE 35 N -1.07 -0.01 -0.01 -1.02 1.01 0.13 -1.80 121.20 118.44 1x5h s ILE 35 Ca 0.17 0.26 -0.18 0.00 0.00 0.00 0.00 60.65 60.90 1x5h s ILE 35 Cb -0.11 -0.17 -0.06 0.00 0.01 0.00 0.00 42.46 42.14 1x5h s ILE 35 CO 0.09 0.14 0.52 -0.32 0.00 0.00 0.00 174.94 175.37 1x5h s MET 36 N 1.48 4.20 -0.15 2.79 -2.45 -1.02 -1.20 119.30 122.95 1x5h s MET 36 Ca -0.04 0.60 -0.02 0.00 -1.25 0.00 0.00 55.69 54.99 1x5h s MET 36 Cb -0.13 -3.31 -0.02 0.00 1.25 0.00 0.00 34.83 32.63 1x5h s MET 36 CO -0.03 0.46 -0.09 0.42 1.05 0.00 0.00 175.02 176.84 1x5h s ILE 37 N -0.45 3.39 -0.16 10.11 1.01 0.14 0.69 121.20 135.94 1x5h s ILE 37 Ca 0.28 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.40 1x5h s ILE 37 Cb -0.18 -2.47 0.03 0.00 0.01 0.00 0.00 42.46 39.85 1x5h s ILE 37 CO 0.15 0.50 -0.13 -1.00 0.00 0.00 0.00 174.94 174.46 1x5h s HIS 38 N 0.51 2.19 0.17 3.97 3.76 -0.05 -2.05 115.29 123.79 1x5h s HIS 38 Ca -0.06 -1.27 0.00 0.00 -0.15 0.00 0.00 55.06 53.58 1x5h s HIS 38 Cb -0.15 -1.59 -0.04 0.00 1.11 0.00 0.00 32.58 31.90 1x5h s HIS 38 CO 0.03 -0.68 0.06 1.67 -0.85 0.00 0.00 174.74 174.97 1x5h s TRP 39 N 1.48 1.09 0.13 1.40 -2.14 -1.15 -0.07 118.94 119.68 1x5h s TRP 39 Ca 0.04 -1.19 0.11 0.00 2.66 0.00 0.00 56.10 57.72 1x5h s TRP 39 Cb -0.13 -0.61 -0.04 0.00 -3.10 0.00 0.00 33.47 29.59 1x5h s TRP 39 CO -0.10 -0.43 -0.27 -0.65 -2.66 0.00 0.00 176.95 172.84 1x5h s GLN 40 N -4.03 1.42 0.43 3.25 -1.52 0.03 -4.76 119.66 114.47 1x5h s GLN 40 Ca 0.28 -1.35 -0.24 0.00 -1.95 0.00 0.00 55.36 52.10 1x5h s GLN 40 Cb 0.07 -1.91 -0.08 0.00 -0.22 0.00 0.00 33.01 30.88 1x5h s GLN 40 CO 0.05 0.45 1.18 -1.25 -0.25 0.00 0.00 175.29 175.47 1x5h s PRO 41 N -2.09 3.92 1.05 2.91 0.04 -1.26 -1.39 135.00 138.17 1x5h s PRO 41 Ca 0.14 1.83 -0.14 0.00 0.04 0.00 0.00 61.00 62.88 1x5h s PRO 41 Cb -0.10 -2.57 0.21 0.00 0.04 0.00 0.00 34.50 32.09 1x5h s PRO 41 CO 0.06 -0.43 1.10 -1.25 0.04 0.00 0.00 177.00 176.52 1x5h s PRO 42 N -2.46 0.02 0.59 0.56 0.04 -1.26 -4.64 135.00 127.86 1x5h s PRO 42 Ca 0.60 0.38 -0.19 0.00 0.04 0.00 0.00 61.00 61.83 1x5h s PRO 42 Cb -0.30 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1x5h s PRO 42 CO 0.38 -2.98 0.92 0.00 0.04 0.00 0.00 177.00 175.36 1x5h n ALA 43 N -4.32 0.04 0.24 8.56 0.00 -1.26 -4.77 120.51 118.99 1x5h n ALA 43 Ca 0.06 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.63 1x5h n ALA 43 Cb 0.58 -2.08 0.54 0.00 0.00 0.00 0.00 19.45 18.49 1x5h n ALA 43 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1x5h h PRO 44 N 0.50 0.00 0.14 0.00 0.13 -2.00 -0.01 132.00 130.77 1x5h h PRO 44 Ca -0.48 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.35 1x5h h PRO 44 Cb 1.37 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.50 1x5h h PRO 44 CO 0.51 0.19 -1.40 0.00 -0.23 0.00 0.00 178.00 177.07 1x5h h ALA 45 N 1.81 0.12 0.13 -0.56 0.00 -2.00 -3.35 119.26 115.42 1x5h h ALA 45 Ca -0.00 -0.97 -0.29 0.00 0.00 0.00 0.00 54.91 53.65 1x5h h ALA 45 Cb 0.63 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1x5h h ALA 45 CO 0.02 1.00 -1.36 1.79 0.00 0.00 0.00 179.25 180.70 1x5h h THR 46 N 0.08 1.36 -0.45 0.00 1.35 -1.90 -3.34 112.91 110.02 1x5h h THR 46 Ca -0.20 -2.94 0.17 0.00 -0.55 0.00 0.00 66.41 62.89 1x5h h THR 46 Cb 2.02 2.89 -0.08 0.00 -1.73 0.00 0.00 68.15 71.25 1x5h h THR 46 CO 0.20 0.86 0.17 0.00 -0.25 0.00 0.00 175.52 176.50 1x5h n GLN 47 N -3.52 -0.03 -2.92 4.72 6.02 -0.03 -4.38 117.38 117.25 1x5h n GLN 47 Ca -0.12 0.64 -0.18 0.00 -0.01 0.00 0.00 57.00 57.32 1x5h n GLN 47 Cb 1.04 -1.10 0.03 0.00 1.02 0.00 0.00 30.24 31.23 1x5h n GLN 47 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1x5h n ASN 48 N -4.17 -5.33 0.00 1.08 2.85 -1.26 -4.63 115.26 103.81 1x5h n ASN 48 Ca 0.15 -0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 1x5h n ASN 48 Cb 0.50 -4.15 0.00 0.00 1.24 0.00 0.00 39.78 37.37 1x5h n ASN 48 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5h n GLY 49 N -1.42 0.94 3.77 8.20 0.00 -1.26 -4.67 105.19 110.74 1x5h n GLY 49 Ca -0.08 -2.15 -0.40 0.00 0.00 0.00 0.00 46.02 43.38 1x5h n GLY 49 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x5h s GLN 50 N -1.00 4.59 0.16 1.61 0.74 -1.26 -5.05 119.66 119.45 1x5h s GLN 50 Ca 0.00 1.18 -0.19 0.00 0.05 0.00 0.00 55.36 56.40 1x5h s GLN 50 Cb 0.00 -3.28 -0.08 0.00 1.10 0.00 0.00 33.01 30.76 1x5h s GLN 50 CO 0.00 0.53 0.66 0.42 -0.55 0.00 0.00 175.29 176.36 1x5h s ILE 51 N -1.02 4.63 -0.13 -2.34 1.01 -1.26 -4.03 121.20 118.06 1x5h s ILE 51 Ca 0.37 1.25 -0.01 0.00 0.00 0.00 0.00 60.65 62.26 1x5h s ILE 51 Cb -0.23 -3.89 -0.08 0.00 0.01 0.00 0.00 42.46 38.27 1x5h s ILE 51 CO 0.26 0.35 -0.13 0.35 0.00 0.00 0.00 174.94 175.77 1x5h n THR 52 N 1.11 0.74 -3.73 2.92 -2.24 0.39 -4.78 114.28 108.68 1x5h n THR 52 Ca -0.05 -0.26 -0.05 0.00 -2.27 0.00 0.00 64.05 61.41 1x5h n THR 52 Cb 0.51 -1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 67.62 1x5h n THR 52 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x5h s GLY 53 N -5.24 -0.25 -0.05 3.38 0.00 -1.21 0.73 107.32 104.68 1x5h s GLY 53 Ca -0.18 0.16 0.06 0.00 0.00 0.00 0.00 44.72 44.76 1x5h s GLY 53 CO 0.28 0.03 -0.23 -0.19 0.00 0.00 0.00 173.10 173.00 1x5h s TYR 54 N -3.42 2.48 -0.71 1.90 1.51 -1.25 -0.04 117.35 117.81 1x5h s TYR 54 Ca 0.11 -0.53 -0.15 0.00 -1.01 0.00 0.00 57.07 55.49 1x5h s TYR 54 Cb -0.02 -1.59 0.18 0.00 -0.11 0.00 0.00 41.96 40.42 1x5h s TYR 54 CO 0.01 -0.09 0.67 0.21 -1.11 0.00 0.00 175.55 175.24 1x5h s LYS 55 N -0.37 3.35 -0.24 -0.62 2.20 0.13 -2.86 119.74 121.32 1x5h s LYS 55 Ca 0.03 -2.13 -0.22 0.00 -0.36 0.00 0.00 55.97 53.28 1x5h s LYS 55 Cb -0.12 -4.38 -0.01 0.00 -1.51 0.00 0.00 37.83 31.80 1x5h s LYS 55 CO 0.02 -1.32 0.72 0.42 -0.36 0.00 0.00 175.35 174.83 1x5h s ILE 56 N 0.82 4.92 0.11 5.43 1.01 -0.19 -2.77 121.20 130.54 1x5h s ILE 56 Ca 0.12 1.34 0.10 0.00 0.00 0.00 0.00 60.65 62.21 1x5h s ILE 56 Cb -0.18 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1x5h s ILE 56 CO -0.04 -0.01 -0.24 -0.13 0.00 0.00 0.00 174.94 174.53 1x5h s ARG 57 N 2.58 1.62 -0.03 2.79 0.52 -0.34 -1.09 118.95 124.99 1x5h s ARG 57 Ca 0.30 -1.24 -0.16 0.00 -0.52 0.00 0.00 55.73 54.12 1x5h s ARG 57 Cb -0.15 -2.00 0.03 0.00 0.52 0.00 0.00 34.95 33.35 1x5h s ARG 57 CO 0.08 0.48 0.35 1.52 0.02 0.00 0.00 175.30 177.75 1x5h s TYR 58 N -1.04 -0.25 0.34 -0.53 1.13 -1.21 0.13 117.35 115.92 1x5h s TYR 58 Ca 0.15 0.43 0.06 0.00 -1.41 0.00 0.00 57.07 56.31 1x5h s TYR 58 Cb -0.10 0.13 -0.02 0.00 -1.10 0.00 0.00 41.96 40.86 1x5h s TYR 58 CO 0.07 -0.38 0.32 2.89 -2.51 0.00 0.00 175.55 175.93 1x5h n ARG 59 N 1.46 0.46 -3.61 -3.49 1.85 -0.65 -2.36 116.66 110.32 1x5h n ARG 59 Ca -0.20 -3.28 -0.36 0.00 -1.00 0.00 0.00 57.85 53.00 1x5h n ARG 59 Cb 0.56 2.75 -0.06 0.00 -1.05 0.00 0.00 32.46 34.67 1x5h n ARG 59 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1x5h s LYS 60 N -3.28 3.76 0.10 2.89 1.02 -1.25 -1.50 119.74 121.46 1x5h s LYS 60 Ca 0.39 0.20 0.24 0.00 0.02 0.00 0.00 55.97 56.81 1x5h s LYS 60 Cb 0.02 -3.12 0.94 0.00 -0.52 0.00 0.00 37.83 35.15 1x5h s LYS 60 CO 0.27 0.65 1.74 0.00 -0.92 0.00 0.00 175.35 177.09 1x5h n ALA 61 N 1.41 2.03 -0.12 5.17 0.00 -1.14 0.07 120.51 127.92 1x5h n ALA 61 Ca -0.12 -0.03 -0.24 0.00 0.00 0.00 0.00 53.44 53.04 1x5h n ALA 61 Cb 0.53 -1.40 -0.11 0.00 0.00 0.00 0.00 19.45 18.47 1x5h n ALA 61 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x5h n SER 62 N -1.82 1.97 -0.01 0.00 2.88 -1.26 -4.65 113.62 110.73 1x5h n SER 62 Ca 0.05 0.19 -0.21 0.00 -1.33 0.00 0.00 58.87 57.57 1x5h n SER 62 Cb 0.30 -0.72 -0.14 0.00 -0.75 0.00 0.00 64.21 62.90 1x5h n SER 62 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1x5h h ARG 63 N -0.58 0.20 -4.80 -1.46 9.65 -1.98 -3.48 114.38 111.94 1x5h h ARG 63 Ca -0.59 -0.35 -0.28 0.00 -1.10 0.00 0.00 59.98 57.66 1x5h h ARG 63 Cb 1.70 0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 30.37 1x5h h ARG 63 CO -0.24 1.17 -0.40 1.63 2.80 0.00 0.00 179.97 184.92 1x5h n LYS 64 N -4.03 -2.86 0.00 0.20 5.02 0.11 -4.69 118.16 111.92 1x5h n LYS 64 Ca -0.24 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1x5h n LYS 64 Cb 0.85 -5.10 0.00 0.00 -0.02 0.00 0.00 35.03 30.76 1x5h n LYS 64 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1x5h n SER 65 N -2.01 1.51 -4.54 4.39 7.64 -1.26 -4.98 113.62 114.37 1x5h n SER 65 Ca -0.06 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.39 1x5h n SER 65 Cb 0.56 0.10 -0.07 0.00 -1.01 0.00 0.00 64.21 63.79 1x5h n SER 65 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x5h s ASP 66 N -2.35 6.36 0.06 6.43 2.15 -1.26 -5.05 116.67 123.02 1x5h s ASP 66 Ca 0.00 -0.15 0.09 0.00 0.43 0.00 0.00 52.55 52.93 1x5h s ASP 66 Cb 0.00 -2.32 -0.03 0.00 -0.30 0.00 0.00 42.92 40.27 1x5h s ASP 66 CO 0.00 -0.71 -0.26 -0.69 -0.17 0.00 0.00 175.17 173.34 1x5h s VAL 67 N 2.79 2.09 -0.05 1.11 1.01 -1.26 -3.96 120.40 122.13 1x5h s VAL 67 Ca 0.23 -1.45 0.06 0.00 0.00 0.00 0.00 61.98 60.83 1x5h s VAL 67 Cb -0.14 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 1x5h s VAL 67 CO 0.17 0.28 -0.25 -0.89 0.00 0.00 0.00 175.10 174.42 1x5h s THR 68 N -0.87 2.09 0.06 3.92 2.01 -0.99 -4.99 115.64 116.88 1x5h s THR 68 Ca 0.12 -1.06 -0.16 0.00 0.31 0.00 0.00 61.69 60.89 1x5h s THR 68 Cb -0.10 -1.75 -0.06 0.00 0.01 0.00 0.00 72.50 70.60 1x5h s THR 68 CO 0.03 0.57 0.50 -0.70 -0.69 0.00 0.00 174.62 174.33 1x5h s GLU 69 N -0.24 4.04 -0.14 4.92 -6.30 -1.26 -3.28 118.70 116.43 1x5h s GLU 69 Ca -0.01 0.55 -0.02 0.00 -2.50 0.00 0.00 54.97 52.99 1x5h s GLU 69 Cb -0.13 -3.16 0.04 0.00 0.00 0.00 0.00 34.13 30.89 1x5h s GLU 69 CO 0.03 0.62 0.02 0.99 0.02 0.00 0.00 175.26 176.94 1x5h s THR 70 N -1.19 0.46 -0.20 -1.70 2.01 -0.25 -5.00 115.64 109.77 1x5h s THR 70 Ca 0.29 -0.23 -0.09 0.00 0.31 0.00 0.00 61.69 61.97 1x5h s THR 70 Cb -0.17 -0.80 -0.05 0.00 0.01 0.00 0.00 72.50 71.49 1x5h s THR 70 CO 0.17 0.02 0.11 -0.22 -0.69 0.00 0.00 174.62 174.01 1x5h s LEU 71 N 1.91 4.05 0.00 4.42 1.98 -1.26 -1.02 118.68 128.76 1x5h s LEU 71 Ca 0.02 0.16 0.00 0.00 -2.89 0.00 0.00 54.13 51.42 1x5h s LEU 71 Cb -0.15 -2.04 -0.00 0.00 0.66 0.00 0.00 46.19 44.66 1x5h s LEU 71 CO -0.07 0.17 0.02 1.33 -1.89 0.00 0.00 176.35 175.90 1x5h n VAL 72 N 3.61 0.00 -2.94 1.68 0.24 -1.14 -5.01 118.33 114.78 1x5h n VAL 72 Ca -0.16 -1.97 -0.34 0.00 -2.04 0.00 0.00 64.34 59.82 1x5h n VAL 72 Cb 0.52 0.44 -0.07 0.00 -1.47 0.00 0.00 33.84 33.26 1x5h n VAL 72 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1x5h s SER 73 N -3.27 7.00 0.25 -1.34 0.01 -1.26 -3.94 113.70 111.14 1x5h s SER 73 Ca 0.02 1.57 -0.03 0.00 1.31 0.00 0.00 55.95 58.82 1x5h s SER 73 Cb 0.00 -2.49 0.43 0.00 0.21 0.00 0.00 66.02 64.17 1x5h s SER 73 CO 0.02 -0.20 1.81 1.23 0.41 0.00 0.00 173.24 176.51 1x5h h GLY 74 N 2.49 1.34 -2.82 3.44 0.00 0.00 -0.19 103.07 107.32 1x5h h GLY 74 Ca -0.48 -0.33 -0.21 0.00 0.00 0.00 0.00 47.33 46.31 1x5h h GLY 74 CO 0.64 0.13 0.27 -0.37 0.00 0.00 0.00 176.54 177.20 1x5h n THR 75 N -4.73 1.92 -4.01 4.70 5.66 -1.26 -4.77 114.28 111.78 1x5h n THR 75 Ca 0.15 -0.83 -0.33 0.00 -3.05 0.00 0.00 64.05 59.98 1x5h n THR 75 Cb 0.30 -0.74 -0.15 0.00 -1.55 0.00 0.00 70.33 68.19 1x5h n THR 75 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1x5h s GLN 76 N -1.48 2.51 -0.43 1.09 0.74 -0.08 -4.98 119.66 117.03 1x5h s GLN 76 Ca 0.25 -1.18 0.04 0.00 0.05 0.00 0.00 55.36 54.52 1x5h s GLN 76 Cb 0.21 -2.94 0.60 0.00 1.10 0.00 0.00 33.01 31.98 1x5h s GLN 76 CO 0.05 -0.50 1.81 1.28 -0.55 0.00 0.00 175.29 177.38 1x5h n LEU 77 N 4.55 6.20 -3.59 3.68 4.77 -1.26 -4.77 117.00 126.59 1x5h n LEU 77 Ca -0.15 -3.76 -0.16 0.00 -0.03 0.00 0.00 56.01 51.91 1x5h n LEU 77 Cb 0.44 -0.80 -0.07 0.00 -2.33 0.00 0.00 43.42 40.67 1x5h n LEU 77 CO 0.24 1.18 0.31 -0.94 -1.33 0.00 0.00 177.39 176.85 1x5h s SER 78 N -1.71 -0.51 -0.17 -1.43 1.04 -1.26 -2.92 113.70 106.75 1x5h s SER 78 Ca 0.55 0.48 -0.13 0.00 0.48 0.00 0.00 55.95 57.33 1x5h s SER 78 Cb 0.47 0.47 0.05 0.00 0.10 0.00 0.00 66.02 67.11 1x5h s SER 78 CO 0.07 -0.58 0.45 -1.58 0.98 0.00 0.00 173.24 172.57 1x5h s GLN 79 N -1.39 0.49 -0.31 4.02 2.00 -0.87 -4.97 119.66 118.63 1x5h s GLN 79 Ca -0.11 0.71 -0.04 0.00 -2.00 0.00 0.00 55.36 53.91 1x5h s GLN 79 Cb -0.01 0.15 0.04 0.00 0.80 0.00 0.00 33.01 33.99 1x5h s GLN 79 CO 0.07 -0.10 0.05 -1.17 -0.50 0.00 0.00 175.29 173.64 1x5h s LEU 80 N 0.70 4.02 -0.28 3.68 2.96 -1.26 0.24 118.68 128.73 1x5h s LEU 80 Ca -0.04 -1.11 -0.16 0.00 -0.22 0.00 0.00 54.13 52.61 1x5h s LEU 80 Cb -0.05 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1x5h s LEU 80 CO -0.05 -0.27 0.40 -0.63 -1.32 0.00 0.00 176.35 174.48 1x5h s ILE 81 N 1.36 5.15 0.28 6.68 -1.09 -0.34 -4.92 121.20 128.31 1x5h s ILE 81 Ca -0.02 0.56 0.09 0.00 -2.23 0.00 0.00 60.65 59.04 1x5h s ILE 81 Cb -0.19 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 1x5h s ILE 81 CO 0.01 0.10 0.09 -1.61 -1.23 0.00 0.00 174.94 172.30 1x5h s GLU 82 N 2.12 2.51 0.00 2.79 8.01 -1.26 -0.69 118.70 132.18 1x5h s GLU 82 Ca 0.16 -1.32 0.00 0.00 0.01 0.00 0.00 54.97 53.81 1x5h s GLU 82 Cb -0.16 -2.29 0.00 0.00 -4.31 0.00 0.00 34.13 27.37 1x5h s GLU 82 CO 0.10 0.33 0.00 0.41 0.01 0.00 0.00 175.26 176.11 1x5h n GLY 83 N -1.04 0.55 3.49 -1.39 0.00 -0.98 -4.97 105.19 100.86 1x5h n GLY 83 Ca -0.06 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 1x5h n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5h s LEU 84 N -0.51 2.58 0.17 0.99 1.43 0.70 -5.03 118.68 119.00 1x5h s LEU 84 Ca 0.00 -1.23 0.04 0.00 -1.03 0.00 0.00 54.13 51.91 1x5h s LEU 84 Cb 0.00 -0.76 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 1x5h s LEU 84 CO 0.00 -0.34 0.19 -1.81 0.23 0.00 0.00 176.35 174.62 1x5h s ASP 85 N -3.53 5.79 0.62 2.29 1.01 -1.26 -4.08 116.67 117.51 1x5h s ASP 85 Ca 0.32 -0.04 -0.11 0.00 0.71 0.00 0.00 52.55 53.42 1x5h s ASP 85 Cb 0.05 -1.59 -0.04 0.00 1.01 0.00 0.00 42.92 42.34 1x5h s ASP 85 CO 0.14 0.05 1.03 0.00 0.21 0.00 0.00 175.17 176.61 1x5h s ARG 86 N -3.21 3.59 -1.30 8.23 1.70 -1.25 -4.16 118.95 122.55 1x5h s ARG 86 Ca 0.32 0.78 -0.08 0.00 -0.47 0.00 0.00 55.73 56.29 1x5h s ARG 86 Cb -0.10 -2.08 -0.00 0.00 -0.57 0.00 0.00 34.95 32.20 1x5h s ARG 86 CO 0.25 -0.58 0.59 0.41 -1.08 0.00 0.00 175.30 174.89 1x5h n GLY 87 N -2.60 -0.51 3.35 3.88 0.00 -1.26 -4.94 105.19 103.11 1x5h n GLY 87 Ca 0.06 0.25 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 1x5h n GLY 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5h s THR 88 N -3.74 -0.06 0.35 2.61 2.01 -1.26 -5.01 115.64 110.53 1x5h s THR 88 Ca 0.17 0.08 -0.27 0.00 0.31 0.00 0.00 61.69 61.98 1x5h s THR 88 Cb -0.06 -0.70 -0.09 0.00 0.01 0.00 0.00 72.50 71.66 1x5h s THR 88 CO 0.87 0.03 1.11 -0.70 -0.69 0.00 0.00 174.62 175.24 1x5h s GLU 89 N 1.53 4.34 -0.04 4.92 2.56 -1.26 -3.59 118.70 127.16 1x5h s GLU 89 Ca -0.09 1.74 -0.03 0.00 0.00 0.00 0.00 54.97 56.59 1x5h s GLU 89 Cb -0.08 -2.86 0.02 0.00 2.00 0.00 0.00 34.13 33.21 1x5h s GLU 89 CO -0.14 -0.04 0.10 0.71 -0.56 0.00 0.00 175.26 175.32 1x5h s TYR 90 N -1.37 -0.10 0.03 5.30 2.02 -0.08 -2.90 117.35 120.24 1x5h s TYR 90 Ca 0.52 0.29 -0.04 0.00 -0.37 0.00 0.00 57.07 57.46 1x5h s TYR 90 Cb -0.29 -0.03 -0.05 0.00 -0.40 0.00 0.00 41.96 41.20 1x5h s TYR 90 CO 0.37 -0.08 0.25 -0.80 -1.57 0.00 0.00 175.55 173.71 1x5h s ASN 91 N 0.44 6.43 0.01 2.29 -0.87 -0.57 -0.33 114.94 122.36 1x5h s ASN 91 Ca -0.03 0.45 -0.01 0.00 -1.57 0.00 0.00 52.86 51.70 1x5h s ASN 91 Cb -0.05 -2.04 -0.01 0.00 -0.02 0.00 0.00 41.25 39.13 1x5h s ASN 91 CO -0.02 0.22 0.00 -0.36 -2.57 0.00 0.00 177.10 174.37 1x5h s PHE 92 N -1.39 0.20 -0.04 2.20 0.40 -0.96 -1.64 117.98 116.74 1x5h s PHE 92 Ca 0.30 -0.41 -0.05 0.00 -0.60 0.00 0.00 56.93 56.17 1x5h s PHE 92 Cb -0.13 -0.15 0.01 0.00 0.51 0.00 0.00 43.02 43.26 1x5h s PHE 92 CO 0.20 -0.19 0.14 -0.98 0.70 0.00 0.00 175.22 175.09 1x5h s ARG 93 N -1.29 0.21 -0.15 0.44 1.70 0.12 -2.47 118.95 117.51 1x5h s ARG 93 Ca -0.14 0.10 -0.00 0.00 -0.47 0.00 0.00 55.73 55.22 1x5h s ARG 93 Cb -0.09 0.10 -0.01 0.00 -0.57 0.00 0.00 34.95 34.38 1x5h s ARG 93 CO -0.01 -0.03 -0.14 0.08 -1.08 0.00 0.00 175.30 174.13 1x5h s VAL 94 N -0.14 2.89 0.10 4.99 1.01 -1.26 -1.20 120.40 126.79 1x5h s VAL 94 Ca -0.02 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.34 1x5h s VAL 94 Cb -0.02 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 1x5h s VAL 94 CO 0.00 0.51 -0.21 0.00 0.00 0.00 0.00 175.10 175.41 1x5h s ALA 95 N 0.61 1.84 0.09 5.51 0.00 -1.11 -0.54 121.76 128.15 1x5h s ALA 95 Ca -0.08 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 50.62 1x5h s ALA 95 Cb -0.16 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1x5h s ALA 95 CO 0.03 0.37 0.26 0.00 0.00 0.00 0.00 175.76 176.42 1x5h s ALA 96 N -1.14 3.95 -0.02 0.00 0.00 -1.06 -0.70 121.76 122.78 1x5h s ALA 96 Ca 0.07 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1x5h s ALA 96 Cb -0.10 -1.91 -0.00 0.00 0.00 0.00 0.00 23.12 21.10 1x5h s ALA 96 CO 0.04 0.77 -0.12 -0.51 0.00 0.00 0.00 175.76 175.94 1x5h s LEU 97 N -2.59 1.90 0.26 0.00 1.43 0.94 -0.18 118.68 120.43 1x5h s LEU 97 Ca 0.37 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1x5h s LEU 97 Cb -0.13 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 1x5h s LEU 97 CO 0.27 0.12 0.13 0.42 0.23 0.00 0.00 176.35 177.52 1x5h s THR 98 N -0.02 0.31 0.30 5.49 -4.23 0.28 -0.46 115.64 117.31 1x5h s THR 98 Ca -0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.55 1x5h s THR 98 Cb -0.08 -2.56 0.29 0.00 1.34 0.00 0.00 72.50 71.49 1x5h s THR 98 CO 0.00 0.00 1.72 -0.29 -0.54 0.00 0.00 174.62 175.52 1x5h h ILE 99 N 2.39 0.56 -0.06 2.99 2.10 -1.96 0.66 117.51 124.19 1x5h h ILE 99 Ca -0.36 -0.18 0.02 0.00 1.08 0.00 0.00 64.86 65.42 1x5h h ILE 99 Cb 1.25 -0.01 -0.00 0.00 -1.09 0.00 0.00 36.82 36.96 1x5h h ILE 99 CO 0.55 0.10 0.07 0.78 -1.08 0.00 0.00 178.15 178.57 1x5h h ASN 100 N 0.53 0.00 0.00 2.19 2.35 -1.92 -3.48 115.58 115.25 1x5h h ASN 100 Ca 0.57 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.32 1x5h h ASN 100 Cb 1.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.39 1x5h h ASN 100 CO -0.47 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 175.92 1x5h n GLY 101 N -1.36 0.59 3.86 2.83 0.00 0.23 -4.81 105.19 106.53 1x5h n GLY 101 Ca -0.01 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 1x5h n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x5h s THR 102 N -3.76 4.46 0.00 2.61 -4.23 -1.26 -0.56 115.64 112.91 1x5h s THR 102 Ca 0.00 0.80 0.00 0.00 -1.18 0.00 0.00 61.69 61.31 1x5h s THR 102 Cb 0.00 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 70.12 1x5h s THR 102 CO 0.00 -1.05 0.00 0.61 -0.54 0.00 0.00 174.62 173.64 1x5h n GLY 103 N -2.55 5.09 3.74 3.99 0.00 0.74 -4.33 105.19 111.87 1x5h n GLY 103 Ca 0.06 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 1x5h n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5h s PRO 104 N -1.07 1.79 -0.05 1.61 0.04 -1.26 -4.62 135.00 131.45 1x5h s PRO 104 Ca 0.00 1.01 0.03 0.00 0.04 0.00 0.00 61.00 62.08 1x5h s PRO 104 Cb 0.00 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.69 1x5h s PRO 104 CO 0.00 -1.92 -0.12 0.00 0.04 0.00 0.00 177.00 175.00 1x5h s ALA 105 N -2.92 1.16 1.07 8.56 0.00 -1.26 -2.56 121.76 125.82 1x5h s ALA 105 Ca 0.62 -0.43 -0.13 0.00 0.00 0.00 0.00 51.96 52.01 1x5h s ALA 105 Cb -0.18 -0.46 0.18 0.00 0.00 0.00 0.00 23.12 22.66 1x5h s ALA 105 CO 0.56 0.16 0.73 0.25 0.00 0.00 0.00 175.76 177.46 1x5h n THR 106 N 3.49 0.00 -0.58 0.00 -2.24 0.30 -4.91 114.28 110.33 1x5h n THR 106 Ca -0.20 -0.28 -0.29 0.00 -2.27 0.00 0.00 64.05 61.01 1x5h n THR 106 Cb 0.53 -0.85 0.26 0.00 -2.10 0.00 0.00 70.33 68.16 1x5h n THR 106 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x5h s ASP 107 N -2.27 0.42 -0.78 3.42 2.15 -1.26 -4.53 116.67 113.81 1x5h s ASP 107 Ca 0.64 1.21 -0.22 0.00 0.43 0.00 0.00 52.55 54.60 1x5h s ASP 107 Cb -0.21 -1.84 0.08 0.00 -0.30 0.00 0.00 42.92 40.65 1x5h s ASP 107 CO 0.64 -4.50 1.10 0.26 -0.17 0.00 0.00 175.17 172.50 1x5h s TRP 108 N -2.48 2.73 -0.38 -5.34 0.52 -1.26 -4.55 118.94 108.19 1x5h s TRP 108 Ca 0.68 -0.75 -0.23 0.00 0.02 0.00 0.00 56.10 55.82 1x5h s TRP 108 Cb -0.20 -4.37 0.01 0.00 -1.15 0.00 0.00 33.47 27.76 1x5h s TRP 108 CO 0.62 -1.69 0.77 -1.17 0.02 0.00 0.00 176.95 175.50 1x5h s LEU 109 N 3.99 4.16 0.33 2.99 2.96 -1.03 -4.85 118.68 127.22 1x5h s LEU 109 Ca 0.29 0.26 -0.25 0.00 -0.22 0.00 0.00 54.13 54.21 1x5h s LEU 109 Cb -0.11 -2.99 -0.10 0.00 0.50 0.00 0.00 46.19 43.49 1x5h s LEU 109 CO 0.03 -0.75 0.93 -0.44 -1.32 0.00 0.00 176.35 174.81 1x5h s SER 110 N 1.88 7.26 -0.06 3.68 0.01 -1.26 -2.27 113.70 122.94 1x5h s SER 110 Ca 0.30 1.79 -0.03 0.00 1.31 0.00 0.00 55.95 59.33 1x5h s SER 110 Cb -0.13 -2.56 0.04 0.00 0.21 0.00 0.00 66.02 63.57 1x5h s SER 110 CO 0.18 -0.10 0.13 0.00 0.41 0.00 0.00 173.24 173.85 1x5h s ALA 111 N -1.69 -0.23 -0.30 1.44 0.00 0.55 -4.94 121.76 116.60 1x5h s ALA 111 Ca 0.51 0.64 -0.09 0.00 0.00 0.00 0.00 51.96 53.02 1x5h s ALA 111 Cb -0.17 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 1x5h s ALA 111 CO 0.22 -0.15 0.14 -2.00 0.00 0.00 0.00 175.76 173.96 1x5h s GLU 112 N 1.17 3.43 1.18 0.00 2.12 -1.26 -0.91 118.70 124.44 1x5h s GLU 112 Ca -0.09 -0.65 -0.14 0.00 0.36 0.00 0.00 54.97 54.45 1x5h s GLU 112 Cb -0.12 -3.52 0.29 0.00 0.26 0.00 0.00 34.13 31.04 1x5h s GLU 112 CO -0.06 -0.36 1.03 0.95 -0.54 0.00 0.00 175.26 176.28 1x5h s THR 113 N 1.62 1.90 -0.22 -1.70 -4.23 -1.24 -4.96 115.64 106.82 1x5h s THR 113 Ca 0.05 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.34 1x5h s THR 113 Cb -0.17 -2.15 -0.02 0.00 1.34 0.00 0.00 72.50 71.51 1x5h s THR 113 CO 0.06 0.00 0.70 -0.36 -0.54 0.00 0.00 174.62 174.47 1x5h s PHE 114 N -2.54 3.34 0.46 3.99 0.08 -1.26 -4.20 117.98 117.86 1x5h s PHE 114 Ca 0.68 0.98 0.35 0.00 0.12 0.00 0.00 56.93 59.07 1x5h s PHE 114 Cb -0.22 -2.89 1.54 0.00 -0.57 0.00 0.00 43.02 40.88 1x5h s PHE 114 CO 0.63 -0.27 1.58 0.93 -0.10 0.00 0.00 175.22 177.99 1x5h h GLU 115 N 7.61 0.00 0.00 0.44 5.08 -1.93 -3.39 114.58 122.40 1x5h h GLU 115 Ca -0.28 -0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.44 1x5h h GLU 115 Cb 1.13 -0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.25 1x5h h GLU 115 CO 0.80 0.00 -0.47 0.45 -1.00 0.00 0.00 179.01 178.79 1x5h n SER 116 N -4.62 3.10 -2.14 1.42 2.88 -1.26 -4.63 113.62 108.37 1x5h n SER 116 Ca 0.41 -3.17 -0.18 0.00 -1.33 0.00 0.00 58.87 54.60 1x5h n SER 116 Cb 1.64 0.43 -0.07 0.00 -0.75 0.00 0.00 64.21 65.47 1x5h n SER 116 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1x5h n ASP 117 N -1.33 6.01 -4.54 -3.46 9.92 -1.26 -4.55 116.55 117.34 1x5h n ASP 117 Ca -0.19 -2.90 -0.42 0.00 -0.53 0.00 0.00 54.79 50.76 1x5h n ASP 117 Cb 0.63 -1.24 -0.03 0.00 -0.64 0.00 0.00 41.12 39.83 1x5h n ASP 117 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1x5h s LEU 118 N -1.28 3.82 -1.04 0.64 0.20 -1.26 -4.93 118.68 114.82 1x5h s LEU 118 Ca 0.50 -1.51 -0.23 0.00 0.69 0.00 0.00 54.13 53.58 1x5h s LEU 118 Cb 0.30 -2.53 -0.04 0.00 -0.43 0.00 0.00 46.19 43.49 1x5h s LEU 118 CO -0.10 -1.43 1.87 -0.62 -0.29 0.00 0.00 176.35 175.78 1x5h s ASP 119 N 4.62 5.38 -0.30 3.68 -1.08 -1.26 -4.80 116.67 122.91 1x5h s ASP 119 Ca 0.42 -1.21 -0.16 0.00 -0.52 0.00 0.00 52.55 51.08 1x5h s ASP 119 Cb -0.02 -2.57 0.18 0.00 -1.46 0.00 0.00 42.92 39.05 1x5h s ASP 119 CO -0.08 -2.60 1.11 -0.70 0.52 0.00 0.00 175.17 173.41 1x5h s GLU 120 N 6.41 0.20 -0.23 4.34 2.12 -1.26 -5.06 118.70 125.22 1x5h s GLU 120 Ca 0.66 0.44 0.19 0.00 0.36 0.00 0.00 54.97 56.62 1x5h s GLU 120 Cb -0.03 0.19 0.48 0.00 0.26 0.00 0.00 34.13 35.03 1x5h s GLU 120 CO 0.03 -0.06 1.14 -2.37 -0.54 0.00 0.00 175.26 173.47 1x5h n THR 121 N 4.28 1.48 -4.22 -1.70 5.66 -1.26 -4.98 114.28 113.54 1x5h n THR 121 Ca -0.12 -3.02 -0.32 0.00 -3.05 0.00 0.00 64.05 57.55 1x5h n THR 121 Cb 0.55 0.55 -0.09 0.00 -1.55 0.00 0.00 70.33 69.80 1x5h n THR 121 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1x5h n ARG 122 N -0.51 -0.88 -1.46 1.09 1.85 -1.26 -4.71 116.66 110.77 1x5h n ARG 122 Ca 0.17 0.10 -0.52 0.00 -1.00 0.00 0.00 57.85 56.60 1x5h n ARG 122 Cb 0.88 -3.60 -0.05 0.00 -1.05 0.00 0.00 32.46 28.64 1x5h n ARG 122 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1x5h n VAL 123 N -4.16 1.23 -1.09 8.89 0.31 -1.26 -4.93 118.33 117.32 1x5h n VAL 123 Ca -0.19 -0.31 -0.30 0.00 -0.01 0.00 0.00 64.34 63.54 1x5h n VAL 123 Cb 0.58 -0.13 0.23 0.00 -0.91 0.00 0.00 33.84 33.61 1x5h n VAL 123 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1x5h s PRO 124 N -0.63 -1.08 -0.23 5.55 0.04 -1.26 -5.07 135.00 132.31 1x5h s PRO 124 Ca 0.74 -0.02 -0.04 0.00 0.04 0.00 0.00 61.00 61.72 1x5h s PRO 124 Cb -1.02 -1.61 0.09 0.00 0.04 0.00 0.00 34.50 32.00 1x5h s PRO 124 CO 0.56 -3.63 0.16 -1.83 0.04 0.00 0.00 177.00 172.30 1x5h s GLU 125 N -5.36 0.17 0.02 4.56 -1.05 -1.26 -5.14 118.70 110.64 1x5h s GLU 125 Ca 0.70 -0.18 0.01 0.00 -0.15 0.00 0.00 54.97 55.36 1x5h s GLU 125 Cb -0.11 -1.31 -0.02 0.00 -0.44 0.00 0.00 34.13 32.26 1x5h s GLU 125 CO 0.56 -0.84 -0.05 0.08 0.95 0.00 0.00 175.26 175.97 1x5h s VAL 126 N 2.20 0.29 -0.28 1.83 1.01 -1.26 -5.15 120.40 119.03 1x5h s VAL 126 Ca 0.06 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.05 1x5h s VAL 126 Cb -0.16 -0.38 0.10 0.00 0.00 0.00 0.00 36.38 35.95 1x5h s VAL 126 CO -0.22 -0.35 0.82 -0.55 0.00 0.00 0.00 175.10 174.79 1x5h s SER 127 N -1.25 -0.74 0.00 3.32 0.15 -1.26 -5.08 113.70 108.84 1x5h s SER 127 Ca -0.11 1.22 0.00 0.00 0.70 0.00 0.00 55.95 57.77 1x5h s SER 127 Cb -0.08 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.52 1x5h s SER 127 CO -0.00 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1x5h n GLY 128 N 3.83 -1.14 3.56 9.45 0.00 -1.26 -5.08 105.19 114.55 1x5h n GLY 128 Ca -0.18 0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1x5h n GLY 128 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5h s PRO 129 N 0.00 2.54 0.14 1.61 0.04 -1.26 -4.82 135.00 133.24 1x5h s PRO 129 Ca 0.00 -0.51 -0.23 0.00 0.04 0.00 0.00 61.00 60.30 1x5h s PRO 129 Cb 0.00 -5.11 -0.01 0.00 0.04 0.00 0.00 34.50 29.43 1x5h s PRO 129 CO 0.00 -3.53 1.64 1.03 0.04 0.00 0.00 177.00 176.17 1x5h h SER 130 N 10.89 -0.70 -2.85 6.66 0.87 -2.07 -3.42 113.55 122.93 1x5h h SER 130 Ca 0.13 0.12 -0.58 0.00 -1.23 0.00 0.00 61.79 60.22 1x5h h SER 130 Cb 0.99 0.32 0.17 0.00 -0.44 0.00 0.00 62.40 63.44 1x5h h SER 130 CO 1.21 -0.27 -0.49 -1.20 -0.53 0.00 0.00 176.83 175.55 1x5h n SER 131 N -5.36 -1.38 0.00 6.23 7.64 -1.26 -5.36 113.62 114.13 1x5h n SER 131 Ca -0.02 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.57 1x5h n SER 131 Cb 0.27 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 1x5h n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64