#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 -0.36 0.08 1.61 0.01 -1.26 -5.19 113.70 108.60 1x5h s SER 2 Ca 0.00 0.55 -0.27 0.00 1.31 0.00 0.00 55.95 57.54 1x5h s SER 2 Cb 0.00 0.51 0.09 0.00 0.21 0.00 0.00 66.02 66.83 1x5h s SER 2 CO 0.00 -0.22 1.12 -0.55 0.41 0.00 0.00 173.24 174.00 1x5h s SER 3 N -0.46 -0.09 0.00 2.44 0.15 -1.26 -5.19 113.70 109.29 1x5h s SER 3 Ca 0.02 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.33 1x5h s SER 3 Cb -0.03 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1x5h s SER 3 CO -0.04 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.37 1x5h n GLY 4 N -0.55 1.72 3.53 9.45 0.00 -1.26 -5.18 105.19 112.91 1x5h n GLY 4 Ca -0.06 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 1x5h n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5h s SER 5 N 0.00 -0.41 0.08 1.61 1.04 -1.26 -5.19 113.70 109.57 1x5h s SER 5 Ca 0.00 0.23 -0.02 0.00 0.48 0.00 0.00 55.95 56.64 1x5h s SER 5 Cb 0.00 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 1x5h s SER 5 CO 0.00 -0.52 0.02 -0.55 0.98 0.00 0.00 173.24 173.17 1x5h s SER 6 N -1.82 0.39 0.00 7.02 0.15 -1.26 -5.17 113.70 113.01 1x5h s SER 6 Ca 0.00 -1.01 0.00 0.00 0.70 0.00 0.00 55.95 55.65 1x5h s SER 6 Cb -0.01 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1x5h s SER 6 CO -0.03 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.37 1x5h n GLY 7 N 0.03 1.49 3.59 9.45 0.00 -1.26 -5.19 105.19 113.31 1x5h n GLY 7 Ca -0.12 -0.37 -0.05 0.00 0.00 0.00 0.00 46.02 45.48 1x5h n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x5h s ASP 8 N 0.00 -0.17 -0.03 1.61 2.15 -1.26 -5.17 116.67 113.80 1x5h s ASP 8 Ca 0.00 0.04 0.01 0.00 0.43 0.00 0.00 52.55 53.03 1x5h s ASP 8 Cb 0.00 0.17 0.02 0.00 -0.30 0.00 0.00 42.92 42.80 1x5h s ASP 8 CO 0.00 -0.26 -0.04 -0.69 -0.17 0.00 0.00 175.17 174.02 1x5h s VAL 9 N -2.21 0.44 -0.75 1.11 1.01 -1.26 -5.09 120.40 113.65 1x5h s VAL 9 Ca 0.08 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.99 1x5h s VAL 9 Cb -0.01 -0.46 0.19 0.00 0.00 0.00 0.00 36.38 36.10 1x5h s VAL 9 CO -0.05 0.19 0.61 0.00 0.00 0.00 0.00 175.10 175.85 1x5h n ALA 10 N 3.81 3.62 -3.74 5.51 0.00 -1.26 -5.00 120.51 123.44 1x5h n ALA 10 Ca -0.23 -4.58 -0.30 0.00 0.00 0.00 0.00 53.44 48.32 1x5h n ALA 10 Cb 0.52 -1.20 -0.15 0.00 0.00 0.00 0.00 19.45 18.62 1x5h n ALA 10 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x5h s VAL 11 N -1.59 0.93 0.00 0.00 1.01 -1.26 -4.93 120.40 114.56 1x5h s VAL 11 Ca 0.27 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.82 1x5h s VAL 11 Cb -0.03 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.65 1x5h s VAL 11 CO -0.14 -0.67 0.00 -2.11 0.00 0.00 0.00 175.10 172.18 1x5h n ARG 12 N 4.83 0.00 -1.13 2.72 1.85 -1.26 -5.07 116.66 118.59 1x5h n ARG 12 Ca -0.02 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.43 1x5h n ARG 12 Cb 0.42 -0.82 -0.03 0.00 -1.05 0.00 0.00 32.46 30.97 1x5h n ARG 12 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1x5h n THR 13 N -2.28 1.13 -3.52 8.89 -1.04 -1.26 -4.96 114.28 111.25 1x5h n THR 13 Ca 0.00 -0.28 -0.15 0.00 -2.04 0.00 0.00 64.05 61.57 1x5h n THR 13 Cb 0.36 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.82 1x5h n THR 13 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1x5h s LEU 14 N 1.70 -0.58 -0.13 -4.42 2.34 -1.26 -5.17 118.68 111.16 1x5h s LEU 14 Ca 0.57 0.53 -0.33 0.00 0.06 0.00 0.00 54.13 54.95 1x5h s LEU 14 Cb -0.81 2.40 0.13 0.00 -0.56 0.00 0.00 46.19 47.35 1x5h s LEU 14 CO 0.44 -0.61 1.15 -0.44 -1.06 0.00 0.00 176.35 175.83 1x5h s SER 15 N -1.45 -0.17 0.14 1.48 0.01 -1.26 -5.05 113.70 107.40 1x5h s SER 15 Ca -0.07 -0.03 -0.22 0.00 1.31 0.00 0.00 55.95 56.95 1x5h s SER 15 Cb -0.00 0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.44 1x5h s SER 15 CO 0.04 -0.33 1.65 0.44 0.41 0.00 0.00 173.24 175.46 1x5h h ASP 16 N 2.00 -0.58 -3.70 2.44 3.32 -1.96 -3.43 116.42 114.51 1x5h h ASP 16 Ca -0.14 0.11 -0.55 0.00 0.02 0.00 0.00 57.03 56.47 1x5h h ASP 16 Cb 1.19 0.28 0.18 0.00 0.22 0.00 0.00 39.33 41.20 1x5h h ASP 16 CO 0.25 -0.22 -0.01 1.33 -1.72 0.00 0.00 179.24 178.87 1x5h n VAL 17 N -5.33 2.32 -2.26 -1.35 0.24 -1.26 -4.74 118.33 105.94 1x5h n VAL 17 Ca -0.01 -0.34 -0.38 0.00 -2.04 0.00 0.00 64.34 61.57 1x5h n VAL 17 Cb 0.25 -1.01 -0.01 0.00 -1.47 0.00 0.00 33.84 31.59 1x5h n VAL 17 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1x5h s PRO 18 N -3.35 3.90 -0.30 7.34 0.04 -1.26 -4.98 135.00 136.39 1x5h s PRO 18 Ca 0.71 1.83 0.09 0.00 0.04 0.00 0.00 61.00 63.67 1x5h s PRO 18 Cb -0.33 -2.55 0.46 0.00 0.04 0.00 0.00 34.50 32.12 1x5h s PRO 18 CO 0.53 -0.45 1.17 0.43 0.04 0.00 0.00 177.00 178.72 1x5h n SER 19 N -0.20 4.38 -3.75 6.66 7.64 -1.26 -4.20 113.62 122.89 1x5h n SER 19 Ca 0.06 -3.49 -0.14 0.00 1.01 0.00 0.00 58.87 56.30 1x5h n SER 19 Cb 0.47 -0.38 -0.15 0.00 -1.01 0.00 0.00 64.21 63.14 1x5h n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x5h s ALA 20 N -3.61 -0.13 0.21 -0.43 0.00 -1.26 -4.95 121.76 111.59 1x5h s ALA 20 Ca 0.47 0.54 0.06 0.00 0.00 0.00 0.00 51.96 53.03 1x5h s ALA 20 Cb 0.40 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1x5h s ALA 20 CO 0.00 -0.16 0.18 0.00 0.00 0.00 0.00 175.76 175.79 1x5h s ALA 21 N 1.19 3.61 0.17 0.00 0.00 -1.26 -4.45 121.76 121.02 1x5h s ALA 21 Ca -0.09 -1.30 -0.30 0.00 0.00 0.00 0.00 51.96 50.27 1x5h s ALA 21 Cb -0.12 -1.37 -0.08 0.00 0.00 0.00 0.00 23.12 21.55 1x5h s ALA 21 CO -0.05 0.38 1.32 -1.25 0.00 0.00 0.00 175.76 176.16 1x5h s PRO 22 N -3.48 4.38 0.43 0.00 0.04 -1.26 -4.26 135.00 130.84 1x5h s PRO 22 Ca 0.32 2.04 0.06 0.00 0.04 0.00 0.00 61.00 63.46 1x5h s PRO 22 Cb -0.09 -3.21 0.06 0.00 0.04 0.00 0.00 34.50 31.30 1x5h s PRO 22 CO 0.25 -0.28 0.54 0.00 0.04 0.00 0.00 177.00 177.54 1x5h n GLN 23 N 2.95 0.74 -3.82 4.56 10.64 -0.81 -4.65 117.38 127.00 1x5h n GLN 23 Ca 0.07 -2.37 -0.27 0.00 -1.83 0.00 0.00 57.00 52.60 1x5h n GLN 23 Cb 0.43 -0.08 0.04 0.00 -0.86 0.00 0.00 30.24 29.76 1x5h n GLN 23 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1x5h n ASN 24 N -2.37 -4.04 -4.79 2.61 3.02 -1.26 -1.22 115.26 107.20 1x5h n ASN 24 Ca 0.09 -0.76 -0.32 0.00 -0.03 0.00 0.00 54.58 53.57 1x5h n ASN 24 Cb 0.45 -4.08 0.06 0.00 -0.61 0.00 0.00 39.78 35.59 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 -7.12 3.19 -0.18 3.41 2.96 -1.26 -4.25 118.68 115.43 1x5h s LEU 25 Ca 0.48 1.78 -0.33 0.00 -0.22 0.00 0.00 54.13 55.85 1x5h s LEU 25 Cb -0.24 -4.52 0.14 0.00 0.50 0.00 0.00 46.19 42.08 1x5h s LEU 25 CO 0.81 -1.65 1.16 -0.44 -1.32 0.00 0.00 176.35 174.91 1x5h s SER 26 N -3.30 -0.19 -0.36 3.68 0.01 0.10 -4.96 113.70 108.68 1x5h s SER 26 Ca 0.61 0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.96 1x5h s SER 26 Cb -0.16 0.18 0.11 0.00 0.21 0.00 0.00 66.02 66.36 1x5h s SER 26 CO 0.51 -0.27 0.14 -0.76 0.41 0.00 0.00 173.24 173.27 1x5h s LEU 27 N -1.84 2.62 -0.90 2.44 1.43 -1.26 -0.30 118.68 120.87 1x5h s LEU 27 Ca 0.07 -2.04 -0.25 0.00 -1.03 0.00 0.00 54.13 50.89 1x5h s LEU 27 Cb -0.01 -0.99 0.02 0.00 0.03 0.00 0.00 46.19 45.25 1x5h s LEU 27 CO -0.05 -0.36 1.52 -0.70 0.23 0.00 0.00 176.35 176.99 1x5h s GLU 28 N 1.10 3.25 -0.73 1.70 2.56 0.19 -4.85 118.70 121.93 1x5h s GLU 28 Ca 0.13 -0.63 -0.26 0.00 0.00 0.00 0.00 54.97 54.21 1x5h s GLU 28 Cb -0.20 -4.94 -0.09 0.00 2.00 0.00 0.00 34.13 30.90 1x5h s GLU 28 CO -0.14 -2.42 2.27 0.08 -0.56 0.00 0.00 175.26 174.49 1x5h s VAL 29 N 6.29 3.13 0.06 3.70 1.01 -1.26 -1.86 120.40 131.47 1x5h s VAL 29 Ca 0.49 -0.06 -0.20 0.00 0.00 0.00 0.00 61.98 62.21 1x5h s VAL 29 Cb -0.04 -3.30 -0.11 0.00 0.00 0.00 0.00 36.38 32.92 1x5h s VAL 29 CO 0.00 -0.29 1.46 0.03 0.00 0.00 0.00 175.10 176.30 1x5h h ARG 30 N 14.10 0.34 0.00 2.72 2.47 -1.91 -3.47 114.38 128.64 1x5h h ARG 30 Ca -0.05 -0.13 -0.37 0.00 -1.26 0.00 0.00 59.98 58.17 1x5h h ARG 30 Cb 1.07 -0.02 -0.10 0.00 -1.65 0.00 0.00 29.97 29.28 1x5h h ARG 30 CO 1.10 0.60 -0.36 0.09 0.56 0.00 0.00 179.97 181.96 1x5h n ASN 31 N -4.66 -0.49 0.14 7.04 3.02 -0.94 -5.01 115.26 114.36 1x5h n ASN 31 Ca -0.05 -2.68 0.01 0.00 -0.03 0.00 0.00 54.58 51.83 1x5h n ASN 31 Cb 0.26 1.27 0.14 0.00 -0.61 0.00 0.00 39.78 40.83 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 1.56 0.00 -0.23 6.41 4.64 -1.88 -3.16 113.55 120.88 1x5h h SER 32 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1x5h h SER 32 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1x5h h SER 32 CO 0.26 0.59 0.00 2.29 -0.87 0.00 0.00 176.83 179.10 1x5h n LYS 33 N -3.48 2.72 -3.77 4.77 2.85 -1.26 -3.71 118.16 116.28 1x5h n LYS 33 Ca 0.00 -2.67 -0.13 0.00 -1.05 0.00 0.00 58.31 54.46 1x5h n LYS 33 Cb 0.67 -1.71 -0.11 0.00 -0.65 0.00 0.00 35.03 33.24 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 -1.91 -0.32 -0.11 -5.58 1.04 -1.20 -0.43 113.70 105.20 1x5h s SER 34 Ca 0.37 0.61 -0.03 0.00 0.48 0.00 0.00 55.95 57.38 1x5h s SER 34 Cb 0.30 0.61 0.05 0.00 0.10 0.00 0.00 66.02 67.07 1x5h s SER 34 CO 0.09 -0.11 0.13 -0.63 0.98 0.00 0.00 173.24 173.70 1x5h s ILE 35 N 0.25 -0.20 -0.04 -1.02 1.01 -0.67 -2.21 121.20 118.32 1x5h s ILE 35 Ca -0.01 0.19 -0.23 0.00 0.00 0.00 0.00 60.65 60.61 1x5h s ILE 35 Cb -0.03 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 1x5h s ILE 35 CO -0.00 0.01 0.67 -0.32 0.00 0.00 0.00 174.94 175.30 1x5h s MET 36 N 2.24 4.41 -0.17 2.79 -2.45 -0.78 -2.09 119.30 123.25 1x5h s MET 36 Ca 0.04 0.84 -0.08 0.00 -1.25 0.00 0.00 55.69 55.24 1x5h s MET 36 Cb -0.13 -3.41 -0.04 0.00 1.25 0.00 0.00 34.83 32.49 1x5h s MET 36 CO -0.07 0.17 0.08 0.42 1.05 0.00 0.00 175.02 176.68 1x5h s ILE 37 N 0.43 4.99 -0.19 10.11 1.01 -0.05 0.57 121.20 138.08 1x5h s ILE 37 Ca 0.35 0.03 0.01 0.00 0.00 0.00 0.00 60.65 61.04 1x5h s ILE 37 Cb -0.18 -3.23 0.04 0.00 0.01 0.00 0.00 42.46 39.09 1x5h s ILE 37 CO 0.18 0.49 -0.10 -1.00 0.00 0.00 0.00 174.94 174.50 1x5h s HIS 38 N 0.08 2.33 0.23 3.97 3.76 0.59 -2.59 115.29 123.65 1x5h s HIS 38 Ca 0.07 -1.50 0.04 0.00 -0.15 0.00 0.00 55.06 53.52 1x5h s HIS 38 Cb -0.12 -1.61 -0.05 0.00 1.11 0.00 0.00 32.58 31.91 1x5h s HIS 38 CO 0.00 -0.72 -0.03 1.67 -0.85 0.00 0.00 174.74 174.81 1x5h s TRP 39 N 1.43 1.59 0.16 1.40 -2.14 -1.21 -0.72 118.94 119.45 1x5h s TRP 39 Ca -0.00 -0.85 0.09 0.00 2.66 0.00 0.00 56.10 57.99 1x5h s TRP 39 Cb -0.16 -0.90 -0.04 0.00 -3.10 0.00 0.00 33.47 29.27 1x5h s TRP 39 CO -0.09 0.04 -0.19 -0.65 -2.66 0.00 0.00 176.95 173.40 1x5h s GLN 40 N -3.82 1.26 0.41 3.25 -1.52 -0.36 -4.79 119.66 114.10 1x5h s GLN 40 Ca 0.27 -1.37 -0.25 0.00 -1.95 0.00 0.00 55.36 52.06 1x5h s GLN 40 Cb 0.05 -1.38 -0.08 0.00 -0.22 0.00 0.00 33.01 31.37 1x5h s GLN 40 CO 0.08 0.29 1.18 -1.25 -0.25 0.00 0.00 175.29 175.34 1x5h s PRO 41 N -2.62 3.98 1.00 2.91 0.04 -1.26 -1.93 135.00 137.11 1x5h s PRO 41 Ca 0.14 1.86 -0.12 0.00 0.04 0.00 0.00 61.00 62.92 1x5h s PRO 41 Cb -0.07 -2.62 0.19 0.00 0.04 0.00 0.00 34.50 32.04 1x5h s PRO 41 CO 0.06 -0.39 1.09 -1.25 0.04 0.00 0.00 177.00 176.56 1x5h s PRO 42 N -2.38 0.43 0.73 0.56 0.04 -1.26 -4.58 135.00 128.54 1x5h s PRO 42 Ca 0.58 0.52 -0.16 0.00 0.04 0.00 0.00 61.00 61.99 1x5h s PRO 42 Cb -0.31 -1.74 0.03 0.00 0.04 0.00 0.00 34.50 32.52 1x5h s PRO 42 CO 0.39 -2.73 1.16 0.00 0.04 0.00 0.00 177.00 175.86 1x5h n ALA 43 N -4.18 0.33 -0.08 8.56 0.00 -1.26 -4.89 120.51 118.99 1x5h n ALA 43 Ca 0.05 -0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 1x5h n ALA 43 Cb 0.57 -2.24 -0.05 0.00 0.00 0.00 0.00 19.45 17.74 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 -0.20 0.62 -0.31 0.00 0.13 -1.94 -2.61 132.00 127.69 1x5h h PRO 44 Ca -0.48 -0.33 0.07 0.00 -0.87 0.00 0.00 66.00 64.39 1x5h h PRO 44 Cb 1.32 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.39 1x5h h PRO 44 CO 0.49 0.93 -0.25 0.00 -0.23 0.00 0.00 178.00 178.94 1x5h h ALA 45 N 0.68 -0.08 0.18 -0.56 0.00 -2.05 -2.61 119.26 114.82 1x5h h ALA 45 Ca 0.04 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1x5h h ALA 45 Cb 0.81 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1x5h h ALA 45 CO 0.06 -0.65 -0.09 1.79 0.00 0.00 0.00 179.25 180.36 1x5h h THR 46 N -0.22 0.89 -1.53 0.00 1.35 -1.95 -3.42 112.91 108.02 1x5h h THR 46 Ca 0.16 -0.32 -0.69 0.00 -0.55 0.00 0.00 66.41 65.01 1x5h h THR 46 Cb 0.47 1.09 0.01 0.00 -1.73 0.00 0.00 68.15 67.98 1x5h h THR 46 CO -0.44 0.08 1.12 0.00 -0.25 0.00 0.00 175.52 176.02 1x5h n GLN 47 N -5.13 1.40 -2.57 4.72 6.02 -0.98 -4.72 117.38 116.13 1x5h n GLN 47 Ca -0.09 0.48 -0.26 0.00 -0.01 0.00 0.00 57.00 57.12 1x5h n GLN 47 Cb 0.18 -2.36 -0.01 0.00 1.02 0.00 0.00 30.24 29.07 1x5h n GLN 47 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1x5h n ASN 48 N 7.09 4.52 0.00 1.08 6.94 -1.26 -4.90 115.26 128.73 1x5h n ASN 48 Ca 0.30 -3.67 0.00 0.00 -0.02 0.00 0.00 54.58 51.19 1x5h n ASN 48 Cb 0.20 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 37.14 1x5h n ASN 48 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x5h n GLY 49 N -0.42 -1.18 3.50 4.83 0.00 -1.26 -4.87 105.19 105.79 1x5h n GLY 49 Ca 0.36 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 1x5h n GLY 49 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1x5h s GLN 50 N -0.45 3.44 0.11 1.61 -2.07 -1.26 -5.05 119.66 115.99 1x5h s GLN 50 Ca 0.00 -0.55 -0.22 0.00 -1.82 0.00 0.00 55.36 52.77 1x5h s GLN 50 Cb 0.00 -2.81 -0.07 0.00 -1.09 0.00 0.00 33.01 29.04 1x5h s GLN 50 CO 0.00 0.33 0.68 0.42 -1.32 0.00 0.00 175.29 175.39 1x5h s ILE 51 N 0.11 4.58 -0.01 3.63 1.01 -1.26 -3.09 121.20 126.17 1x5h s ILE 51 Ca -0.02 1.46 0.01 0.00 0.00 0.00 0.00 60.65 62.10 1x5h s ILE 51 Cb -0.14 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.30 1x5h s ILE 51 CO 0.03 0.52 -0.00 0.35 0.00 0.00 0.00 174.94 175.84 1x5h n THR 52 N 1.79 0.08 -3.83 2.92 -2.24 -0.31 -4.86 114.28 107.82 1x5h n THR 52 Ca -0.08 -0.04 -0.02 0.00 -2.27 0.00 0.00 64.05 61.64 1x5h n THR 52 Cb 0.50 -0.83 0.01 0.00 -2.10 0.00 0.00 70.33 67.91 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 -3.48 -0.05 -0.00 3.38 0.00 -1.25 -0.79 107.32 105.13 1x5h s GLY 53 Ca -0.01 -0.07 0.05 0.00 0.00 0.00 0.00 44.72 44.69 1x5h s GLY 53 CO 0.04 1.93 -0.15 -0.19 0.00 0.00 0.00 173.10 174.73 1x5h s TYR 54 N -2.44 1.37 -0.31 1.90 1.51 -1.24 -0.21 117.35 117.93 1x5h s TYR 54 Ca 0.20 -0.27 -0.10 0.00 -1.01 0.00 0.00 57.07 55.88 1x5h s TYR 54 Cb -0.01 -0.87 -0.01 0.00 -0.11 0.00 0.00 41.96 40.95 1x5h s TYR 54 CO 0.03 -0.01 0.16 0.15 -1.11 0.00 0.00 175.55 174.77 1x5h s LYS 55 N -0.47 3.41 -0.47 -0.62 1.02 0.13 -2.49 119.74 120.25 1x5h s LYS 55 Ca 0.06 -0.67 -0.06 0.00 0.02 0.00 0.00 55.97 55.31 1x5h s LYS 55 Cb -0.06 -3.59 0.12 0.00 -0.52 0.00 0.00 37.83 33.78 1x5h s LYS 55 CO -0.00 -0.39 0.31 0.42 -0.92 0.00 0.00 175.35 174.76 1x5h s ILE 56 N 1.64 3.86 -0.11 2.17 1.01 -0.33 -1.23 121.20 128.20 1x5h s ILE 56 Ca 0.05 -1.98 -0.06 0.00 0.00 0.00 0.00 60.65 58.65 1x5h s ILE 56 Cb -0.17 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1x5h s ILE 56 CO 0.07 -0.76 0.12 -0.13 0.00 0.00 0.00 174.94 174.24 1x5h s ARG 57 N 1.16 3.37 0.15 2.79 0.52 -0.87 -2.39 118.95 123.68 1x5h s ARG 57 Ca 0.08 -0.17 -0.03 0.00 -0.52 0.00 0.00 55.73 55.08 1x5h s ARG 57 Cb -0.24 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 32.06 1x5h s ARG 57 CO -0.02 0.77 0.13 1.52 0.02 0.00 0.00 175.30 177.72 1x5h s TYR 58 N -1.01 0.80 0.35 -0.53 1.13 -1.05 -1.85 117.35 115.18 1x5h s TYR 58 Ca 0.15 -1.14 -0.05 0.00 -1.41 0.00 0.00 57.07 54.62 1x5h s TYR 58 Cb -0.12 -0.38 0.01 0.00 -1.10 0.00 0.00 41.96 40.38 1x5h s TYR 58 CO 0.04 -0.60 0.54 -0.98 -2.51 0.00 0.00 175.55 172.04 1x5h s ARG 59 N -4.05 1.99 -0.26 -3.49 1.70 -0.82 -1.66 118.95 112.36 1x5h s ARG 59 Ca 0.25 -1.70 -0.10 0.00 -0.47 0.00 0.00 55.73 53.72 1x5h s ARG 59 Cb 0.06 0.48 -0.05 0.00 -0.57 0.00 0.00 34.95 34.88 1x5h s ARG 59 CO 0.03 -0.85 0.15 0.15 -1.08 0.00 0.00 175.30 173.70 1x5h s LYS 60 N -2.88 3.92 0.37 3.89 1.02 -1.23 -2.64 119.74 122.18 1x5h s LYS 60 Ca 0.27 -0.34 0.21 0.00 0.02 0.00 0.00 55.97 56.14 1x5h s LYS 60 Cb -0.01 -3.54 1.34 0.00 -0.52 0.00 0.00 37.83 35.10 1x5h s LYS 60 CO 0.19 -0.10 1.55 0.00 -0.92 0.00 0.00 175.35 176.07 1x5h n ALA 61 N 4.75 1.03 0.37 5.17 0.00 -1.18 -0.17 120.51 130.50 1x5h n ALA 61 Ca -0.15 0.99 -0.17 0.00 0.00 0.00 0.00 53.44 54.11 1x5h n ALA 61 Cb 0.52 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.88 1x5h n ALA 61 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1x5h h SER 62 N 0.00 -0.80 -3.73 0.00 0.02 -1.93 -3.39 113.55 103.71 1x5h h SER 62 Ca 0.84 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 61.12 1x5h h SER 62 Cb 2.25 0.21 -0.39 0.00 0.14 0.00 0.00 62.40 64.61 1x5h h SER 62 CO -0.74 -0.50 -0.66 0.00 -1.14 0.00 0.00 176.83 173.80 1x5h s ARG 63 N -5.51 1.70 0.00 3.45 1.70 0.77 -4.93 118.95 116.12 1x5h s ARG 63 Ca -0.17 -1.97 0.14 0.00 -0.47 0.00 0.00 55.73 53.26 1x5h s ARG 63 Cb 0.02 -3.33 0.75 0.00 -0.57 0.00 0.00 34.95 31.82 1x5h s ARG 63 CO 0.56 -1.00 1.35 1.63 -1.08 0.00 0.00 175.30 176.75 1x5h n LYS 64 N 4.18 0.27 0.08 3.89 4.76 -1.15 -2.43 118.16 127.76 1x5h n LYS 64 Ca 0.03 0.11 -0.15 0.00 -2.87 0.00 0.00 58.31 55.43 1x5h n LYS 64 Cb 0.41 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 32.01 1x5h n LYS 64 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1x5h h SER 65 N 0.00 0.56 -2.68 4.39 0.02 -1.92 -3.42 113.55 110.51 1x5h h SER 65 Ca 0.00 -0.50 -0.55 0.00 -0.84 0.00 0.00 61.79 59.90 1x5h h SER 65 Cb 0.09 -0.18 -0.08 0.00 0.14 0.00 0.00 62.40 62.38 1x5h h SER 65 CO 0.00 1.32 1.00 -0.62 -1.14 0.00 0.00 176.83 177.39 1x5h s ASP 66 N -7.16 6.26 0.06 3.07 -1.08 -1.02 -4.99 116.67 111.81 1x5h s ASP 66 Ca -0.06 -0.28 0.07 0.00 -0.52 0.00 0.00 52.55 51.76 1x5h s ASP 66 Cb 0.08 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.96 1x5h s ASP 66 CO 0.88 -1.69 -0.20 -0.69 0.52 0.00 0.00 175.17 173.99 1x5h s VAL 67 N 5.36 1.66 0.06 1.11 1.01 -1.26 -3.59 120.40 124.75 1x5h s VAL 67 Ca 0.37 -1.30 0.08 0.00 0.00 0.00 0.00 61.98 61.13 1x5h s VAL 67 Cb -0.08 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 1x5h s VAL 67 CO 0.18 0.12 -0.21 -0.89 0.00 0.00 0.00 175.10 174.30 1x5h s THR 68 N -0.91 1.69 0.01 3.92 2.01 -0.67 -4.97 115.64 116.73 1x5h s THR 68 Ca 0.07 -1.29 -0.01 0.00 0.31 0.00 0.00 61.69 60.77 1x5h s THR 68 Cb -0.09 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 1x5h s THR 68 CO 0.02 0.14 0.13 -0.70 -0.69 0.00 0.00 174.62 173.53 1x5h s GLU 69 N -1.37 3.21 -0.15 4.92 2.12 -1.26 -2.54 118.70 123.63 1x5h s GLU 69 Ca 0.07 -0.45 -0.04 0.00 0.36 0.00 0.00 54.97 54.91 1x5h s GLU 69 Cb -0.09 -2.94 0.06 0.00 0.26 0.00 0.00 34.13 31.41 1x5h s GLU 69 CO 0.02 0.64 0.09 0.99 -0.54 0.00 0.00 175.26 176.46 1x5h s THR 70 N -1.30 -0.10 -0.12 -1.70 2.01 -1.01 -4.98 115.64 108.45 1x5h s THR 70 Ca 0.27 -0.06 -0.13 0.00 0.31 0.00 0.00 61.69 62.08 1x5h s THR 70 Cb -0.12 -0.50 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 1x5h s THR 70 CO 0.18 -0.20 0.30 -0.22 -0.69 0.00 0.00 174.62 173.99 1x5h s LEU 71 N 2.15 4.32 0.47 4.42 1.98 -1.26 -1.19 118.68 129.57 1x5h s LEU 71 Ca 0.03 0.61 0.02 0.00 -2.89 0.00 0.00 54.13 51.90 1x5h s LEU 71 Cb -0.15 -2.38 -0.02 0.00 0.66 0.00 0.00 46.19 44.30 1x5h s LEU 71 CO -0.08 0.19 0.05 0.68 -1.89 0.00 0.00 176.35 175.30 1x5h s VAL 72 N -0.10 0.97 0.39 1.68 -7.23 -1.04 -5.00 120.40 110.08 1x5h s VAL 72 Ca 0.18 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.16 1x5h s VAL 72 Cb -0.14 -2.26 -0.10 0.00 0.56 0.00 0.00 36.38 34.45 1x5h s VAL 72 CO 0.06 0.00 0.88 -0.44 -0.31 0.00 0.00 175.10 175.29 1x5h s SER 73 N -3.77 6.91 0.37 4.85 0.01 -1.26 -3.73 113.70 117.08 1x5h s SER 73 Ca 0.13 1.57 0.10 0.00 1.31 0.00 0.00 55.95 59.06 1x5h s SER 73 Cb 0.02 -2.49 0.85 0.00 0.21 0.00 0.00 66.02 64.61 1x5h s SER 73 CO 0.08 -0.29 1.89 1.23 0.41 0.00 0.00 173.24 176.56 1x5h h GLY 74 N 2.10 1.06 -3.09 3.44 0.00 -1.30 0.13 103.07 105.41 1x5h h GLY 74 Ca -0.49 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 46.44 1x5h h GLY 74 CO 0.63 0.11 0.17 -0.37 0.00 0.00 0.00 176.54 177.07 1x5h n THR 75 N -4.53 2.25 -3.81 4.70 5.66 -1.26 -4.82 114.28 112.47 1x5h n THR 75 Ca 0.16 -1.16 -0.37 0.00 -3.05 0.00 0.00 64.05 59.63 1x5h n THR 75 Cb 0.44 -0.43 -0.13 0.00 -1.55 0.00 0.00 70.33 68.66 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 -2.35 2.49 -0.42 1.09 0.74 0.45 -4.96 119.66 116.71 1x5h s GLN 76 Ca 0.41 -1.28 0.05 0.00 0.05 0.00 0.00 55.36 54.59 1x5h s GLN 76 Cb 0.32 -3.37 0.60 0.00 1.10 0.00 0.00 33.01 31.66 1x5h s GLN 76 CO 0.10 -0.69 1.79 1.28 -0.55 0.00 0.00 175.29 177.22 1x5h n LEU 77 N 4.72 6.06 -3.52 3.68 4.77 -1.26 -4.71 117.00 126.75 1x5h n LEU 77 Ca -0.12 -3.74 -0.17 0.00 -0.03 0.00 0.00 56.01 51.95 1x5h n LEU 77 Cb 0.44 -0.79 -0.06 0.00 -2.33 0.00 0.00 43.42 40.69 1x5h n LEU 77 CO 0.30 1.17 0.41 -0.94 -1.33 0.00 0.00 177.39 177.00 1x5h s SER 78 N -1.74 -0.62 -0.26 -1.43 1.04 -1.26 -3.29 113.70 106.14 1x5h s SER 78 Ca 0.54 0.58 -0.20 0.00 0.48 0.00 0.00 55.95 57.35 1x5h s SER 78 Cb 0.46 0.54 0.07 0.00 0.10 0.00 0.00 66.02 67.19 1x5h s SER 78 CO 0.07 -0.65 0.67 -1.58 0.98 0.00 0.00 173.24 172.72 1x5h s GLN 79 N -1.58 0.74 -0.28 4.02 2.00 -1.07 -4.98 119.66 118.52 1x5h s GLN 79 Ca -0.09 1.06 -0.10 0.00 -2.00 0.00 0.00 55.36 54.23 1x5h s GLN 79 Cb -0.00 0.27 -0.03 0.00 0.80 0.00 0.00 33.01 34.04 1x5h s GLN 79 CO 0.06 -0.12 0.15 -1.17 -0.50 0.00 0.00 175.29 173.71 1x5h s LEU 80 N 0.94 3.87 -0.54 3.68 2.96 -1.26 -0.87 118.68 127.45 1x5h s LEU 80 Ca -0.05 -0.19 -0.12 0.00 -0.22 0.00 0.00 54.13 53.56 1x5h s LEU 80 Cb -0.05 -2.03 0.14 0.00 0.50 0.00 0.00 46.19 44.74 1x5h s LEU 80 CO -0.08 -0.08 0.45 -0.63 -1.32 0.00 0.00 176.35 174.68 1x5h s ILE 81 N 1.68 4.66 0.43 6.68 -1.09 -0.89 -4.96 121.20 127.72 1x5h s ILE 81 Ca 0.06 -1.84 0.04 0.00 -2.23 0.00 0.00 60.65 56.68 1x5h s ILE 81 Cb -0.16 -4.01 0.01 0.00 -1.58 0.00 0.00 42.46 36.71 1x5h s ILE 81 CO 0.08 -0.84 0.62 -1.61 -1.23 0.00 0.00 174.94 171.95 1x5h s GLU 82 N 1.22 2.92 0.00 2.79 2.02 -1.26 -1.68 118.70 124.71 1x5h s GLU 82 Ca 0.07 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.22 1x5h s GLU 82 Cb -0.25 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.32 1x5h s GLU 82 CO -0.01 -0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.41 1x5h n GLY 83 N -1.97 0.99 3.89 -1.39 0.00 0.42 -4.94 105.19 102.19 1x5h n GLY 83 Ca 0.04 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.46 2.89 0.16 0.99 1.43 -0.37 -5.03 118.68 118.29 1x5h s LEU 84 Ca 0.00 -1.11 0.04 0.00 -1.03 0.00 0.00 54.13 52.03 1x5h s LEU 84 Cb 0.00 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 1x5h s LEU 84 CO 0.00 -0.98 0.16 -1.81 0.23 0.00 0.00 176.35 173.94 1x5h s ASP 85 N -4.24 5.65 0.73 2.29 1.11 -1.26 -4.28 116.67 116.68 1x5h s ASP 85 Ca 0.39 -0.07 -0.10 0.00 0.18 0.00 0.00 52.55 52.95 1x5h s ASP 85 Cb -0.02 -1.52 0.05 0.00 1.07 0.00 0.00 42.92 42.50 1x5h s ASP 85 CO 0.24 0.07 1.09 0.00 1.18 0.00 0.00 175.17 177.75 1x5h s ARG 86 N -3.07 2.35 -1.14 8.23 1.70 -1.24 -4.20 118.95 121.58 1x5h s ARG 86 Ca 0.31 0.10 -0.06 0.00 -0.47 0.00 0.00 55.73 55.62 1x5h s ARG 86 Cb -0.10 -2.05 0.01 0.00 -0.57 0.00 0.00 34.95 32.23 1x5h s ARG 86 CO 0.24 -1.27 0.11 0.41 -1.08 0.00 0.00 175.30 173.71 1x5h n GLY 87 N -3.07 -0.21 3.17 3.88 0.00 -1.26 -4.91 105.19 102.80 1x5h n GLY 87 Ca 0.07 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.03 -0.01 0.34 2.61 2.01 -1.26 -4.97 115.64 110.33 1x5h s THR 88 Ca 0.08 0.05 -0.26 0.00 0.31 0.00 0.00 61.69 61.87 1x5h s THR 88 Cb -0.05 -0.45 -0.09 0.00 0.01 0.00 0.00 72.50 71.92 1x5h s THR 88 CO 0.77 0.02 1.03 -0.70 -0.69 0.00 0.00 174.62 175.05 1x5h s GLU 89 N 0.66 4.43 -0.01 4.92 2.56 -1.26 -3.13 118.70 126.87 1x5h s GLU 89 Ca -0.04 1.55 0.02 0.00 0.00 0.00 0.00 54.97 56.49 1x5h s GLU 89 Cb -0.05 -2.82 -0.00 0.00 2.00 0.00 0.00 34.13 33.25 1x5h s GLU 89 CO -0.04 0.09 -0.05 0.71 -0.56 0.00 0.00 175.26 175.41 1x5h s TYR 90 N -1.48 0.50 -0.17 5.30 2.02 -0.02 -3.07 117.35 120.43 1x5h s TYR 90 Ca 0.51 -0.10 -0.07 0.00 -0.37 0.00 0.00 57.07 57.05 1x5h s TYR 90 Cb -0.24 -0.34 -0.04 0.00 -0.40 0.00 0.00 41.96 40.94 1x5h s TYR 90 CO 0.31 -0.03 0.07 -0.80 -1.57 0.00 0.00 175.55 173.53 1x5h s ASN 91 N -0.00 5.71 0.08 2.29 0.02 -1.08 -0.77 114.94 121.18 1x5h s ASN 91 Ca 0.01 0.14 0.04 0.00 -1.02 0.00 0.00 52.86 52.03 1x5h s ASN 91 Cb -0.04 -1.93 -0.03 0.00 0.02 0.00 0.00 41.25 39.27 1x5h s ASN 91 CO -0.00 0.22 -0.11 -0.36 0.02 0.00 0.00 177.10 176.87 1x5h s PHE 92 N 0.08 1.07 -0.22 2.20 0.40 -0.79 -1.94 117.98 118.77 1x5h s PHE 92 Ca 0.06 -0.57 -0.11 0.00 -0.60 0.00 0.00 56.93 55.71 1x5h s PHE 92 Cb -0.12 -0.59 0.07 0.00 0.51 0.00 0.00 43.02 42.89 1x5h s PHE 92 CO 0.01 0.01 0.52 -0.98 0.70 0.00 0.00 175.22 175.48 1x5h s ARG 93 N -2.27 0.50 -0.11 0.44 1.70 -0.77 -1.89 118.95 116.54 1x5h s ARG 93 Ca 0.01 1.01 -0.05 0.00 -0.47 0.00 0.00 55.73 56.23 1x5h s ARG 93 Cb -0.06 0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 34.42 1x5h s ARG 93 CO 0.01 -0.17 0.08 0.08 -1.08 0.00 0.00 175.30 174.22 1x5h s VAL 94 N 1.74 5.00 -0.01 4.99 1.01 -1.26 -2.05 120.40 129.81 1x5h s VAL 94 Ca -0.08 0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1x5h s VAL 94 Cb -0.08 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1x5h s VAL 94 CO -0.16 0.60 -0.04 0.00 0.00 0.00 0.00 175.10 175.50 1x5h s ALA 95 N -0.86 0.44 0.37 5.51 0.00 -0.36 -0.12 121.76 126.74 1x5h s ALA 95 Ca 0.13 -0.15 -0.16 0.00 0.00 0.00 0.00 51.96 51.78 1x5h s ALA 95 Cb -0.12 -0.17 -0.09 0.00 0.00 0.00 0.00 23.12 22.74 1x5h s ALA 95 CO 0.03 0.07 0.81 0.00 0.00 0.00 0.00 175.76 176.67 1x5h s ALA 96 N 0.14 3.24 0.03 0.00 0.00 -1.10 0.22 121.76 124.30 1x5h s ALA 96 Ca -0.01 0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.12 1x5h s ALA 96 Cb -0.05 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 1x5h s ALA 96 CO -0.00 0.21 -0.17 -0.51 0.00 0.00 0.00 175.76 175.29 1x5h s LEU 97 N -3.20 2.14 0.26 0.00 1.43 0.71 -1.32 118.68 118.70 1x5h s LEU 97 Ca 0.56 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 1x5h s LEU 97 Cb -0.10 -0.78 -0.03 0.00 0.03 0.00 0.00 46.19 45.31 1x5h s LEU 97 CO 0.19 0.11 0.24 0.42 0.23 0.00 0.00 176.35 177.53 1x5h s THR 98 N -0.74 0.00 0.51 5.49 -4.23 -0.69 -1.17 115.64 114.81 1x5h s THR 98 Ca 0.05 -1.92 0.16 0.00 -1.18 0.00 0.00 61.69 58.80 1x5h s THR 98 Cb -0.08 -2.49 0.29 0.00 1.34 0.00 0.00 72.50 71.56 1x5h s THR 98 CO 0.01 0.00 2.11 -0.29 -0.54 0.00 0.00 174.62 175.91 1x5h h ILE 99 N 2.38 0.97 0.00 2.99 6.09 -1.93 0.58 117.51 128.58 1x5h h ILE 99 Ca -0.31 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 1x5h h ILE 99 Cb 1.24 0.90 0.00 0.00 0.47 0.00 0.00 36.82 39.43 1x5h h ILE 99 CO 0.45 0.01 0.00 0.78 -3.07 0.00 0.00 178.15 176.32 1x5h h ASN 100 N 0.07 0.00 0.00 2.19 2.35 -1.88 -3.48 115.58 114.82 1x5h h ASN 100 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1x5h h ASN 100 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1x5h h ASN 100 CO -0.01 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.38 1x5h n GLY 101 N -0.38 0.34 3.91 2.83 0.00 0.19 -4.31 105.19 107.78 1x5h n GLY 101 Ca 0.00 -1.43 -0.27 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.51 4.09 0.23 2.61 -4.23 -1.26 -1.70 115.64 112.87 1x5h s THR 102 Ca 0.00 0.08 0.01 0.00 -1.18 0.00 0.00 61.69 60.61 1x5h s THR 102 Cb 0.00 -3.60 -0.01 0.00 1.34 0.00 0.00 72.50 70.24 1x5h s THR 102 CO 0.00 -0.61 0.05 0.61 -0.54 0.00 0.00 174.62 174.13 1x5h n GLY 103 N -2.48 3.73 3.70 3.99 0.00 -0.44 -4.08 105.19 109.63 1x5h n GLY 103 Ca 0.03 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.64 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 -2.87 0.98 0.28 1.61 0.04 -1.26 -4.65 135.00 129.14 1x5h s PRO 104 Ca 0.07 0.72 0.06 0.00 0.04 0.00 0.00 61.00 61.89 1x5h s PRO 104 Cb 0.00 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.70 1x5h s PRO 104 CO 0.05 -2.41 -0.04 0.00 0.04 0.00 0.00 177.00 174.64 1x5h s ALA 105 N -2.94 2.32 -0.03 8.56 0.00 -1.26 -2.70 121.76 125.70 1x5h s ALA 105 Ca 0.64 -1.92 -0.20 0.00 0.00 0.00 0.00 51.96 50.48 1x5h s ALA 105 Cb -0.18 0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 1x5h s ALA 105 CO 0.57 -0.11 0.58 0.95 0.00 0.00 0.00 175.76 177.75 1x5h s THR 106 N -3.07 4.97 0.30 0.00 -4.23 0.83 -4.92 115.64 109.52 1x5h s THR 106 Ca 0.30 1.21 -0.19 0.00 -1.18 0.00 0.00 61.69 61.83 1x5h s THR 106 Cb 0.05 -3.92 -0.14 0.00 1.34 0.00 0.00 72.50 69.83 1x5h s THR 106 CO 0.12 0.39 0.17 0.47 -0.54 0.00 0.00 174.62 175.23 1x5h n ASP 107 N 2.96 -2.07 -4.53 3.99 9.92 -1.26 -4.38 116.55 121.18 1x5h n ASP 107 Ca -0.06 0.76 -0.41 0.00 -0.53 0.00 0.00 54.79 54.55 1x5h n ASP 107 Cb 0.51 -0.76 -0.05 0.00 -0.64 0.00 0.00 41.12 40.18 1x5h n ASP 107 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 1x5h n TRP 108 N -0.63 1.44 -3.31 1.24 7.02 -1.26 -4.77 117.44 117.17 1x5h n TRP 108 Ca 0.11 0.14 -0.42 0.00 -1.02 0.00 0.00 57.50 56.31 1x5h n TRP 108 Cb 0.30 -2.60 -0.08 0.00 -2.42 0.00 0.00 31.31 26.51 1x5h n TRP 108 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1x5h s LEU 109 N 10.23 4.55 0.17 -0.99 2.96 -0.79 -4.90 118.68 129.90 1x5h s LEU 109 Ca 1.06 -0.31 -0.19 0.00 -0.22 0.00 0.00 54.13 54.46 1x5h s LEU 109 Cb -0.47 -2.46 -0.08 0.00 0.50 0.00 0.00 46.19 43.68 1x5h s LEU 109 CO 0.35 -0.49 0.67 -0.44 -1.32 0.00 0.00 176.35 175.12 1x5h s SER 110 N 1.79 7.06 -0.06 3.68 0.01 -1.26 -1.88 113.70 123.03 1x5h s SER 110 Ca 0.15 1.35 -0.03 0.00 1.31 0.00 0.00 55.95 58.73 1x5h s SER 110 Cb -0.16 -2.39 0.04 0.00 0.21 0.00 0.00 66.02 63.71 1x5h s SER 110 CO 0.13 0.12 0.14 0.00 0.41 0.00 0.00 173.24 174.04 1x5h s ALA 111 N -1.39 -0.25 -0.27 1.44 0.00 0.05 -4.93 121.76 116.41 1x5h s ALA 111 Ca 0.38 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.87 1x5h s ALA 111 Cb -0.18 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 1x5h s ALA 111 CO 0.21 -0.15 0.18 -2.00 0.00 0.00 0.00 175.76 174.00 1x5h s GLU 112 N 1.09 3.95 0.99 0.00 2.12 -1.26 -0.84 118.70 124.75 1x5h s GLU 112 Ca -0.08 -0.32 -0.12 0.00 0.36 0.00 0.00 54.97 54.80 1x5h s GLU 112 Cb -0.11 -3.62 0.18 0.00 0.26 0.00 0.00 34.13 30.84 1x5h s GLU 112 CO -0.05 -0.14 1.10 0.95 -0.54 0.00 0.00 175.26 176.57 1x5h s THR 113 N 1.65 2.05 -0.26 -1.70 -4.23 -1.18 -4.95 115.64 107.01 1x5h s THR 113 Ca 0.07 0.02 -0.25 0.00 -1.18 0.00 0.00 61.69 60.35 1x5h s THR 113 Cb -0.16 -2.55 -0.00 0.00 1.34 0.00 0.00 72.50 71.13 1x5h s THR 113 CO 0.10 -0.02 0.85 -0.36 -0.54 0.00 0.00 174.62 174.64 1x5h s PHE 114 N -3.02 3.27 0.47 3.99 0.08 -1.26 -3.98 117.98 117.53 1x5h s PHE 114 Ca 0.65 1.08 0.38 0.00 0.12 0.00 0.00 56.93 59.15 1x5h s PHE 114 Cb -0.18 -3.15 1.55 0.00 -0.57 0.00 0.00 43.02 40.68 1x5h s PHE 114 CO 0.57 -0.47 1.55 0.39 -0.10 0.00 0.00 175.22 177.15 1x5h n GLU 115 N 6.13 -0.02 -4.16 0.44 1.02 -1.26 -4.07 120.64 118.71 1x5h n GLU 115 Ca 0.06 1.19 -0.15 0.00 -0.02 0.00 0.00 57.16 58.23 1x5h n GLU 115 Cb 0.48 -2.46 -0.06 0.00 -0.02 0.00 0.00 31.44 29.38 1x5h n GLU 115 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1x5h s SER 116 N -4.14 0.99 -0.39 1.62 0.01 -1.26 -4.49 113.70 106.03 1x5h s SER 116 Ca -0.07 -1.52 -0.16 0.00 1.31 0.00 0.00 55.95 55.51 1x5h s SER 116 Cb 0.29 0.59 0.01 0.00 0.21 0.00 0.00 66.02 67.12 1x5h s SER 116 CO 0.83 -1.15 0.36 -0.62 0.41 0.00 0.00 173.24 173.07 1x5h s ASP 117 N -3.26 6.15 -0.18 2.44 2.15 -1.26 -4.82 116.67 117.89 1x5h s ASP 117 Ca 0.34 -0.64 -0.03 0.00 0.43 0.00 0.00 52.55 52.65 1x5h s ASP 117 Cb 0.01 -2.19 0.06 0.00 -0.30 0.00 0.00 42.92 40.50 1x5h s ASP 117 CO 0.21 -0.46 0.03 -0.22 -0.17 0.00 0.00 175.17 174.56 1x5h s LEU 118 N 1.93 1.09 -0.78 -1.34 2.96 -1.26 -5.09 118.68 116.19 1x5h s LEU 118 Ca 0.09 -0.74 -0.24 0.00 -0.22 0.00 0.00 54.13 53.03 1x5h s LEU 118 Cb -0.18 -0.57 0.06 0.00 0.50 0.00 0.00 46.19 46.00 1x5h s LEU 118 CO 0.12 -0.30 1.18 -1.81 -1.32 0.00 0.00 176.35 174.22 1x5h s ASP 119 N 1.88 6.28 -0.09 3.68 1.01 -1.26 -4.96 116.67 123.21 1x5h s ASP 119 Ca -0.00 -1.00 -0.03 0.00 0.71 0.00 0.00 52.55 52.23 1x5h s ASP 119 Cb -0.17 -2.49 0.04 0.00 1.01 0.00 0.00 42.92 41.31 1x5h s ASP 119 CO -0.08 -1.55 0.05 -1.61 0.21 0.00 0.00 175.17 172.19 1x5h s GLU 120 N 4.67 0.15 0.18 8.23 2.02 -1.26 -5.15 118.70 127.54 1x5h s GLU 120 Ca 0.32 0.17 0.06 0.00 0.02 0.00 0.00 54.97 55.54 1x5h s GLU 120 Cb -0.09 -1.00 -0.05 0.00 0.10 0.00 0.00 34.13 33.09 1x5h s GLU 120 CO 0.06 -0.42 -0.12 0.95 0.02 0.00 0.00 175.26 175.75 1x5h s THR 121 N 2.10 1.47 -0.29 3.63 -4.23 -1.26 -5.15 115.64 111.91 1x5h s THR 121 Ca 0.04 -2.14 -0.16 0.00 -1.18 0.00 0.00 61.69 58.25 1x5h s THR 121 Cb -0.13 -1.97 0.13 0.00 1.34 0.00 0.00 72.50 71.87 1x5h s THR 121 CO -0.05 -0.66 0.89 0.00 -0.54 0.00 0.00 174.62 174.26 1x5h s ARG 122 N -3.69 0.47 -0.00 3.99 1.70 -1.26 -5.17 118.95 114.99 1x5h s ARG 122 Ca 0.20 0.83 0.07 0.00 -0.47 0.00 0.00 55.73 56.36 1x5h s ARG 122 Cb 0.01 0.12 -0.02 0.00 -0.57 0.00 0.00 34.95 34.48 1x5h s ARG 122 CO 0.04 -0.10 -0.22 0.14 -1.08 0.00 0.00 175.30 174.08 1x5h s VAL 123 N 1.48 1.73 1.23 4.99 -7.23 -1.26 -5.14 120.40 116.20 1x5h s VAL 123 Ca -0.09 -1.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.87 1x5h s VAL 123 Cb -0.04 -1.45 0.30 0.00 0.56 0.00 0.00 36.38 35.75 1x5h s VAL 123 CO -0.16 0.43 1.11 -2.16 -0.31 0.00 0.00 175.10 174.00 1x5h s PRO 124 N -0.68 -1.48 -0.08 4.82 0.04 -1.26 -5.07 135.00 131.29 1x5h s PRO 124 Ca 0.08 -0.16 0.01 0.00 0.04 0.00 0.00 61.00 60.97 1x5h s PRO 124 Cb -0.09 -1.57 0.02 0.00 0.04 0.00 0.00 34.50 32.90 1x5h s PRO 124 CO -0.00 -3.86 -0.09 -1.21 0.04 0.00 0.00 177.00 171.88 1x5h s GLU 125 N -5.48 1.47 0.85 4.56 2.02 -1.26 -5.14 118.70 115.72 1x5h s GLU 125 Ca 0.72 -0.28 -0.13 0.00 0.02 0.00 0.00 54.97 55.30 1x5h s GLU 125 Cb -0.08 -1.39 0.12 0.00 0.10 0.00 0.00 34.13 32.88 1x5h s GLU 125 CO 0.56 -0.13 1.22 0.14 0.02 0.00 0.00 175.26 177.07 1x5h s VAL 126 N 1.20 2.01 0.54 2.63 -7.23 -1.26 -5.10 120.40 113.19 1x5h s VAL 126 Ca -0.05 -0.02 0.07 0.00 -1.81 0.00 0.00 61.98 60.17 1x5h s VAL 126 Cb -0.14 -3.00 0.05 0.00 0.56 0.00 0.00 36.38 33.86 1x5h s VAL 126 CO -0.02 0.00 0.55 -0.44 -0.31 0.00 0.00 175.10 174.88 1x5h s SER 127 N -4.68 4.87 0.19 4.85 0.01 -1.26 -5.14 113.70 112.55 1x5h s SER 127 Ca 0.66 -1.03 0.10 0.00 1.31 0.00 0.00 55.95 56.98 1x5h s SER 127 Cb -0.09 0.26 -0.04 0.00 0.21 0.00 0.00 66.02 66.36 1x5h s SER 127 CO 0.50 -1.15 -0.16 -0.83 0.41 0.00 0.00 173.24 172.01 1x5h s GLY 128 N -4.42 1.73 0.55 3.44 0.00 -1.26 -5.14 107.32 102.22 1x5h s GLY 128 Ca 0.46 -1.57 -0.09 0.00 0.00 0.00 0.00 44.72 43.52 1x5h s GLY 128 CO 0.29 -1.60 0.49 -1.55 0.00 0.00 0.00 173.10 170.73 1x5h n PRO 129 N 0.07 -1.98 0.00 2.90 -0.04 -1.26 -5.04 135.00 129.66 1x5h n PRO 129 Ca -0.11 -0.78 0.00 0.00 -0.04 0.00 0.00 63.50 62.57 1x5h n PRO 129 Cb 0.56 -0.73 0.00 0.00 -0.04 0.00 0.00 33.50 33.29 1x5h n PRO 129 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x5h n SER 130 N -3.84 4.59 -4.22 3.54 7.64 -1.26 -5.03 113.62 115.04 1x5h n SER 130 Ca 0.07 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.64 1x5h n SER 130 Cb 0.26 0.31 -0.07 0.00 -1.01 0.00 0.00 64.21 63.71 1x5h n SER 130 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x5h n SER 131 N -2.17 -0.09 0.00 6.43 7.64 -1.26 -5.39 113.62 118.77 1x5h n SER 131 Ca 0.00 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.71 1x5h n SER 131 Cb 0.50 -2.15 0.00 0.00 -1.01 0.00 0.00 64.21 61.55 1x5h n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64