#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfh n ALA 3 N 0.00 0.00 -2.20 3.55 0.00 -1.26 -3.96 120.51 116.64 3gfh n ALA 3 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 3gfh n ALA 3 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 3gfh n ALA 3 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gfh n LEU 4 N 0.00 5.08 -4.51 0.00 4.32 -1.25 -3.78 117.00 116.87 3gfh n LEU 4 Ca 0.00 -4.95 -0.35 0.00 -0.02 0.00 0.00 56.01 50.69 3gfh n LEU 4 Cb 0.00 -0.46 0.09 0.00 -1.62 0.00 0.00 43.42 41.43 3gfh n LEU 4 CO 0.00 2.12 0.20 0.47 -1.22 0.00 0.00 177.39 178.96 3gfh n ASP 5 N -0.61 -0.84 -4.85 -1.43 10.43 -1.26 -4.51 116.55 113.49 3gfh n ASP 5 Ca 0.43 0.54 -0.34 0.00 2.57 0.00 0.00 54.79 57.99 3gfh n ASP 5 Cb 0.78 -1.28 -0.06 0.00 1.84 0.00 0.00 41.12 42.40 3gfh n ASP 5 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3gfh s LEU 6 N -1.61 4.23 -0.44 0.64 2.01 -1.26 -1.31 118.68 120.94 3gfh s LEU 6 Ca 0.66 1.16 -0.13 0.00 0.01 0.00 0.00 54.13 55.83 3gfh s LEU 6 Cb -0.31 -3.63 0.07 0.00 0.01 0.00 0.00 46.19 42.33 3gfh s LEU 6 CO 0.58 -0.03 0.32 -0.63 1.01 0.00 0.00 176.35 177.60 3gfh s ILE 7 N -1.69 4.80 -0.45 -0.59 1.01 0.24 -4.91 121.20 119.60 3gfh s ILE 7 Ca 0.45 -1.15 -0.28 0.00 0.00 0.00 0.00 60.65 59.67 3gfh s ILE 7 Cb -0.13 -3.86 -0.00 0.00 0.01 0.00 0.00 42.46 38.47 3gfh s ILE 7 CO 0.20 -0.51 1.61 0.00 0.00 0.00 0.00 174.94 176.24 3gfh s ARG 8 N 1.55 3.28 0.86 2.79 1.70 -1.26 -4.25 118.95 123.62 3gfh s ARG 8 Ca 0.03 0.92 -0.12 0.00 -0.47 0.00 0.00 55.73 56.10 3gfh s ARG 8 Cb -0.23 -4.16 0.11 0.00 -0.57 0.00 0.00 34.95 30.10 3gfh s ARG 8 CO 0.05 -1.94 1.10 -2.14 -1.08 0.00 0.00 175.30 171.29 3gfh s PRO 9 N 5.64 1.55 0.17 3.89 0.02 -1.26 -5.09 135.00 139.92 3gfh s PRO 9 Ca 0.66 0.66 0.09 0.00 0.02 0.00 0.00 61.00 62.43 3gfh s PRO 9 Cb -0.15 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.47 3gfh s PRO 9 CO 0.29 -1.99 -0.19 -1.54 -0.33 0.00 0.00 177.00 173.23 3gfh s SER 10 N -3.71 2.85 0.24 2.53 1.04 -1.26 -4.62 113.70 110.77 3gfh s SER 10 Ca 0.62 -0.87 -0.29 0.00 0.48 0.00 0.00 55.95 55.90 3gfh s SER 10 Cb -0.16 -0.18 -0.09 0.00 0.10 0.00 0.00 66.02 65.69 3gfh s SER 10 CO 0.55 -0.00 0.93 -0.69 0.98 0.00 0.00 173.24 175.01 3gfh s VAL 11 N -1.98 4.11 -0.16 5.02 1.01 -1.26 -0.76 120.40 126.37 3gfh s VAL 11 Ca 0.17 2.04 0.04 0.00 0.00 0.00 0.00 61.98 64.22 3gfh s VAL 11 Cb -0.06 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 3gfh s VAL 11 CO 0.07 0.47 0.15 0.35 0.00 0.00 0.00 175.10 176.14 3gfh n THR 12 N 1.41 0.00 0.00 3.92 -2.24 0.02 -4.89 114.28 112.50 3gfh n THR 12 Ca -0.02 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3gfh n THR 12 Cb 0.47 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 3gfh n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gfh n ALA 13 N -1.17 0.00 -2.99 6.98 0.00 -1.23 -4.53 120.51 117.57 3gfh n ALA 13 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.35 3gfh n ALA 13 Cb 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.41 3gfh n ALA 13 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3gfh s MET 14 N -0.77 0.38 0.18 0.00 1.75 -1.26 -2.19 119.30 117.39 3gfh s MET 14 Ca 0.00 -0.56 -0.23 0.00 -1.25 0.00 0.00 55.69 53.65 3gfh s MET 14 Cb 0.00 0.15 0.06 0.00 2.84 0.00 0.00 34.83 37.88 3gfh s MET 14 CO 0.00 -0.08 0.63 0.50 -0.65 0.00 0.00 175.02 175.42 3gfh s ARG 15 N -1.53 1.35 0.12 4.11 3.52 -0.32 -5.02 118.95 121.18 3gfh s ARG 15 Ca -0.15 -0.55 0.11 0.00 -0.13 0.00 0.00 55.73 55.01 3gfh s ARG 15 Cb -0.09 0.59 -0.04 0.00 -1.56 0.00 0.00 34.95 33.85 3gfh s ARG 15 CO -0.00 -0.60 -0.27 0.08 -0.81 0.00 0.00 175.30 173.70 3gfh s VAL 16 N -3.76 2.23 -0.19 7.11 1.01 -1.26 -1.59 120.40 123.94 3gfh s VAL 16 Ca 0.03 -1.71 0.00 0.00 0.00 0.00 0.00 61.98 60.30 3gfh s VAL 16 Cb -0.02 -1.96 0.05 0.00 0.00 0.00 0.00 36.38 34.45 3gfh s VAL 16 CO -0.10 0.12 -0.07 -0.63 0.00 0.00 0.00 175.10 174.43 3gfh s ILE 17 N -1.03 1.38 0.15 2.22 1.01 -0.13 -5.01 121.20 119.80 3gfh s ILE 17 Ca 0.13 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.85 3gfh s ILE 17 Cb -0.10 -1.55 -0.14 0.00 0.01 0.00 0.00 42.46 40.67 3gfh s ILE 17 CO 0.05 0.08 1.36 0.00 0.00 0.00 0.00 174.94 176.44 3gfh h ALA 18 N 8.03 0.47 -1.88 9.38 0.00 -1.87 -0.66 119.26 132.73 3gfh h ALA 18 Ca -0.24 -0.65 -0.35 0.00 0.00 0.00 0.00 54.91 53.67 3gfh h ALA 18 Cb 1.10 -0.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.55 3gfh h ALA 18 CO 0.43 0.78 -0.68 0.45 0.00 0.00 0.00 179.25 180.24 3gfh s SER 19 N -7.03 0.96 0.60 0.00 0.15 -1.26 -4.19 113.70 102.93 3gfh s SER 19 Ca -0.06 -1.58 -0.19 0.00 0.70 0.00 0.00 55.95 54.82 3gfh s SER 19 Cb 0.10 0.65 -0.04 0.00 -1.71 0.00 0.00 66.02 65.02 3gfh s SER 19 CO 0.86 -0.25 1.15 1.33 1.20 0.00 0.00 173.24 177.53 3gfh n VAL 20 N 4.19 4.06 -2.14 4.45 0.24 -1.07 -4.91 118.33 123.15 3gfh n VAL 20 Ca 0.12 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.53 3gfh n VAL 20 Cb 0.46 -1.37 -0.01 0.00 -1.47 0.00 0.00 33.84 31.45 3gfh n VAL 20 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3gfh s ASN 21 N -1.19 6.38 0.33 -1.34 2.47 -1.26 -4.82 114.94 115.51 3gfh s ASN 21 Ca 0.76 2.54 0.05 0.00 0.42 0.00 0.00 52.86 56.63 3gfh s ASN 21 Cb -0.41 -2.63 0.67 0.00 -1.45 0.00 0.00 41.25 37.43 3gfh s ASN 21 CO 0.46 -0.79 1.89 0.00 -3.72 0.00 0.00 177.10 174.94 3gfh h ALA 22 N 2.66 1.66 0.01 1.71 0.00 -1.98 0.28 119.26 123.60 3gfh h ALA 22 Ca -0.49 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 3gfh h ALA 22 Cb 1.24 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3gfh h ALA 22 CO 0.62 0.15 -0.00 0.22 0.00 0.00 0.00 179.25 180.24 3gfh h ASP 23 N 0.86 -0.01 -0.79 0.00 1.82 -2.00 -2.58 116.42 113.72 3gfh h ASP 23 Ca 0.41 -0.80 0.10 0.00 -0.39 0.00 0.00 57.03 56.35 3gfh h ASP 23 Cb 0.43 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 40.37 3gfh h ASP 23 CO -0.18 0.83 0.43 0.15 -1.61 0.00 0.00 179.24 178.86 3gfh h PHE 24 N -0.89 0.77 -0.12 0.28 3.57 -1.90 -1.58 116.94 117.08 3gfh h PHE 24 Ca -0.00 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 3gfh h PHE 24 Cb 0.81 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 3gfh h PHE 24 CO 0.22 0.29 -0.20 0.00 -2.23 0.00 0.00 178.31 176.40 3gfh h ALA 25 N 1.45 1.46 -0.37 2.41 0.00 -0.52 -0.76 119.26 122.93 3gfh h ALA 25 Ca 0.39 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3gfh h ALA 25 Cb 0.39 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3gfh h ALA 25 CO -0.26 0.38 -0.25 0.00 0.00 0.00 0.00 179.25 179.12 3gfh h ARG 26 N 0.18 0.81 -0.71 0.00 3.08 -0.99 -2.61 114.38 114.14 3gfh h ARG 26 Ca 0.03 -0.39 0.05 0.00 0.07 0.00 0.00 59.98 59.74 3gfh h ARG 26 Cb 0.45 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.45 3gfh h ARG 26 CO 0.03 1.02 0.43 0.93 -1.07 0.00 0.00 179.97 181.30 3gfh h GLU 27 N 0.61 0.78 0.00 0.04 5.08 -0.73 -2.93 114.58 117.44 3gfh h GLU 27 Ca 0.07 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3gfh h GLU 27 Cb 0.81 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3gfh h GLU 27 CO 0.07 0.52 0.00 -0.07 -1.00 0.00 0.00 179.01 178.52 3gfh h LEU 28 N 0.80 0.00 -1.54 1.33 3.38 -1.20 -3.48 115.31 114.61 3gfh h LEU 28 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3gfh h LEU 28 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3gfh h LEU 28 CO -0.15 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.67 3gfh n LYS 29 N -2.81 0.00 -3.26 1.13 4.76 -1.11 -5.03 118.16 111.84 3gfh n LYS 29 Ca 0.03 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.07 3gfh n LYS 29 Cb 0.40 -2.06 -0.08 0.00 -1.84 0.00 0.00 35.03 31.45 3gfh n LYS 29 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3gfh s LEU 30 N -1.54 4.08 1.05 -0.35 1.43 -1.00 -5.04 118.68 117.31 3gfh s LEU 30 Ca 0.00 0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 53.49 3gfh s LEU 30 Cb 0.00 -2.64 0.21 0.00 0.03 0.00 0.00 46.19 43.79 3gfh s LEU 30 CO 0.00 -0.24 1.10 -2.16 0.23 0.00 0.00 176.35 175.28 3gfh s PRO 31 N 2.06 0.03 0.28 1.29 0.04 -1.26 -4.86 135.00 132.58 3gfh s PRO 31 Ca 0.21 0.36 -0.02 0.00 0.04 0.00 0.00 61.00 61.59 3gfh s PRO 31 Cb -0.16 -1.70 0.39 0.00 0.04 0.00 0.00 34.50 33.07 3gfh s PRO 31 CO 0.09 -2.96 1.86 -1.35 0.04 0.00 0.00 177.00 174.68 3gfh h PRO 32 N -2.06 0.94 0.00 0.56 0.11 -2.00 -2.38 132.00 127.17 3gfh h PRO 32 Ca -0.53 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.43 3gfh h PRO 32 Cb 1.33 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3gfh h PRO 32 CO 0.53 0.76 0.00 0.72 -0.21 0.00 0.00 178.00 179.80 3gfh n HIS 33 N -4.31 0.00 -4.00 0.65 8.25 -1.26 -4.40 115.22 110.14 3gfh n HIS 33 Ca 0.06 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.20 3gfh n HIS 33 Cb 0.17 -0.37 -0.15 0.00 1.12 0.00 0.00 29.99 30.76 3gfh n HIS 33 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3gfh s ILE 34 N -2.74 1.98 -0.13 1.59 1.01 -0.90 -3.87 121.20 118.15 3gfh s ILE 34 Ca 0.03 -1.77 0.04 0.00 0.00 0.00 0.00 60.65 58.95 3gfh s ILE 34 Cb 0.03 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 3gfh s ILE 34 CO 0.07 -0.28 0.14 0.54 0.00 0.00 0.00 174.94 175.41 3gfh n ARG 35 N 4.45 4.20 -4.20 2.79 3.00 -1.15 -4.67 116.66 121.09 3gfh n ARG 35 Ca -0.07 -0.01 -0.26 0.00 -0.01 0.00 0.00 57.85 57.50 3gfh n ARG 35 Cb 0.42 -0.79 -0.07 0.00 0.00 0.00 0.00 32.46 32.02 3gfh n ARG 35 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 3gfh s SER 36 N -1.66 4.85 -0.05 0.55 0.01 -0.85 -2.60 113.70 113.96 3gfh s SER 36 Ca 0.01 -0.39 -0.02 0.00 1.31 0.00 0.00 55.95 56.85 3gfh s SER 36 Cb 0.03 -1.05 0.04 0.00 0.21 0.00 0.00 66.02 65.24 3gfh s SER 36 CO 0.16 0.07 0.09 -0.22 0.41 0.00 0.00 173.24 173.75 3gfh s LEU 37 N -3.09 0.74 -0.22 2.44 2.96 -0.25 -2.81 118.68 118.45 3gfh s LEU 37 Ca 0.28 0.18 -0.09 0.00 -0.22 0.00 0.00 54.13 54.29 3gfh s LEU 37 Cb -0.09 0.14 -0.04 0.00 0.50 0.00 0.00 46.19 46.70 3gfh s LEU 37 CO 0.19 -0.16 0.10 -0.83 -1.32 0.00 0.00 176.35 174.34 3gfh s GLY 38 N 1.32 1.90 -0.28 7.98 0.00 0.19 -0.95 107.32 117.49 3gfh s GLY 38 Ca -0.07 -0.90 -0.08 0.00 0.00 0.00 0.00 44.72 43.67 3gfh s GLY 38 CO -0.05 0.31 0.10 1.08 0.00 0.00 0.00 173.10 174.55 3gfh s LEU 39 N 0.96 3.73 -0.00 0.66 1.43 -0.62 0.87 118.68 125.70 3gfh s LEU 39 Ca 0.05 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 3gfh s LEU 39 Cb -0.14 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.13 3gfh s LEU 39 CO 0.03 -0.11 -0.04 -0.51 0.23 0.00 0.00 176.35 175.95 3gfh s ILE 40 N 1.60 0.34 0.02 -0.59 2.07 -0.11 -1.18 121.20 123.36 3gfh s ILE 40 Ca 0.05 -0.18 0.07 0.00 -1.41 0.00 0.00 60.65 59.19 3gfh s ILE 40 Cb -0.16 -0.30 -0.02 0.00 0.13 0.00 0.00 42.46 42.11 3gfh s ILE 40 CO 0.05 0.10 -0.21 -0.44 -1.91 0.00 0.00 174.94 172.52 3gfh s SER 41 N -0.05 2.55 0.16 4.50 0.01 -0.93 -0.56 113.70 119.37 3gfh s SER 41 Ca 0.01 -0.47 -0.18 0.00 1.31 0.00 0.00 55.95 56.63 3gfh s SER 41 Cb -0.02 -0.25 0.04 0.00 0.21 0.00 0.00 66.02 66.00 3gfh s SER 41 CO -0.00 0.22 0.48 0.00 0.41 0.00 0.00 173.24 174.35 3gfh s ALA 42 N -0.66 -1.03 0.53 1.44 0.00 -1.20 -0.80 121.76 120.04 3gfh s ALA 42 Ca 0.08 -0.05 0.21 0.00 0.00 0.00 0.00 51.96 52.20 3gfh s ALA 42 Cb -0.09 0.80 1.42 0.00 0.00 0.00 0.00 23.12 25.25 3gfh s ALA 42 CO 0.01 -0.73 2.16 -0.44 0.00 0.00 0.00 175.76 176.75 3gfh h ASP 43 N 2.24 0.00 -4.17 0.00 3.45 -1.20 -0.51 116.42 116.23 3gfh h ASP 43 Ca -0.32 0.00 -0.51 0.00 0.43 0.00 0.00 57.03 56.64 3gfh h ASP 43 Cb 1.27 0.00 -0.30 0.00 -0.56 0.00 0.00 39.33 39.74 3gfh h ASP 43 CO 0.41 0.03 -0.82 -0.55 -1.57 0.00 0.00 179.24 176.74 3gfh s SER 44 N -6.72 1.79 -0.09 6.45 0.15 -1.26 -4.41 113.70 109.61 3gfh s SER 44 Ca -0.05 -0.28 -0.20 0.00 0.70 0.00 0.00 55.95 56.13 3gfh s SER 44 Cb 0.16 -0.26 -0.28 0.00 -1.71 0.00 0.00 66.02 63.93 3gfh s SER 44 CO 0.63 0.17 0.69 -2.24 1.20 0.00 0.00 173.24 173.69 3gfh h ASP 45 N 5.87 0.36 1.14 5.45 2.03 -1.83 -3.17 116.42 126.28 3gfh h ASP 45 Ca -0.35 -0.88 -0.03 0.00 -0.73 0.00 0.00 57.03 55.04 3gfh h ASP 45 Cb 1.16 -0.12 -0.00 0.00 -0.83 0.00 0.00 39.33 39.54 3gfh h ASP 45 CO 0.49 1.48 -0.12 0.44 -1.03 0.00 0.00 179.24 180.49 3gfh h ASP 46 N -0.43 0.00 0.94 4.15 3.32 -1.97 0.16 116.42 122.60 3gfh h ASP 46 Ca -0.22 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.62 3gfh h ASP 46 Cb 1.63 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.15 3gfh h ASP 46 CO 0.07 0.12 -1.10 0.58 -1.72 0.00 0.00 179.24 177.19 3gfh h VAL 47 N 0.00 1.38 0.00 -1.35 2.07 -1.93 -2.90 116.25 113.52 3gfh h VAL 47 Ca -0.00 -3.06 -0.11 0.00 0.82 0.00 0.00 66.70 64.34 3gfh h VAL 47 Cb 0.73 2.67 -0.02 0.00 -1.52 0.00 0.00 31.29 33.15 3gfh h VAL 47 CO 0.02 0.78 -0.54 0.74 0.02 0.00 0.00 177.57 178.59 3gfh h THR 48 N 0.00 1.31 -0.09 2.57 2.02 -1.25 -0.23 112.91 117.23 3gfh h THR 48 Ca -0.07 -1.91 -0.12 0.00 0.77 0.00 0.00 66.41 65.07 3gfh h THR 48 Cb 1.76 2.05 0.01 0.00 -1.74 0.00 0.00 68.15 70.23 3gfh h THR 48 CO 0.11 0.53 -0.42 1.88 0.37 0.00 0.00 175.52 177.99 3gfh h TYR 49 N 0.00 0.60 -0.28 3.16 0.99 -0.74 -1.23 116.97 119.47 3gfh h TYR 49 Ca -0.01 -0.26 -0.00 0.00 2.00 0.00 0.00 58.73 60.46 3gfh h TYR 49 Cb 1.01 -0.10 -0.01 0.00 1.00 0.00 0.00 36.73 38.63 3gfh h TYR 49 CO 0.00 1.02 0.15 0.82 -0.00 0.00 0.00 178.16 180.15 3gfh h ILE 50 N 0.02 1.12 -0.59 -2.88 2.04 -1.50 -0.02 117.51 115.69 3gfh h ILE 50 Ca -0.03 -0.31 0.09 0.00 1.00 0.00 0.00 64.86 65.61 3gfh h ILE 50 Cb 1.06 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 3gfh h ILE 50 CO 0.09 0.12 0.40 0.00 0.00 0.00 0.00 178.15 178.75 3gfh h ALA 51 N 1.03 1.98 0.01 1.87 0.00 -0.98 0.18 119.26 123.34 3gfh h ALA 51 Ca 0.10 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 3gfh h ALA 51 Cb 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3gfh h ALA 51 CO -0.02 -0.10 -0.92 0.00 0.00 0.00 0.00 179.25 178.21 3gfh h ALA 52 N 1.69 0.49 0.69 0.00 0.00 -1.00 -2.97 119.26 118.16 3gfh h ALA 52 Ca 0.27 -0.81 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 3gfh h ALA 52 Cb 0.49 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3gfh h ALA 52 CO -0.08 1.08 -0.51 0.22 0.00 0.00 0.00 179.25 179.97 3gfh h ASP 53 N 0.02 -1.33 -1.01 0.00 3.58 0.12 -2.64 116.42 115.16 3gfh h ASP 53 Ca -0.02 0.09 0.28 0.00 0.42 0.00 0.00 57.03 57.80 3gfh h ASP 53 Cb 1.61 0.41 -0.13 0.00 1.72 0.00 0.00 39.33 42.93 3gfh h ASP 53 CO 0.13 -0.73 0.60 -0.08 -2.88 0.00 0.00 179.24 176.27 3gfh h GLU 54 N -1.14 0.44 -0.06 0.28 4.57 -0.98 0.50 114.58 118.18 3gfh h GLU 54 Ca -0.09 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.08 3gfh h GLU 54 Cb 0.94 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.43 3gfh h GLU 54 CO 0.04 0.29 0.05 0.00 -1.18 0.00 0.00 179.01 178.20 3gfh h ALA 55 N 1.77 2.05 0.00 2.92 0.00 -1.33 -1.00 119.26 123.67 3gfh h ALA 55 Ca 0.68 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.56 3gfh h ALA 55 Cb 1.46 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 3gfh h ALA 55 CO -0.52 -0.08 -0.17 1.79 0.00 0.00 0.00 179.25 180.28 3gfh h THR 56 N 0.00 0.39 0.00 0.00 1.35 -0.54 -1.55 112.91 112.57 3gfh h THR 56 Ca 0.03 -1.01 -0.08 0.00 -0.55 0.00 0.00 66.41 64.80 3gfh h THR 56 Cb 0.12 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 3gfh h THR 56 CO -0.00 0.16 -0.86 0.11 -0.25 0.00 0.00 175.52 174.68 3gfh h LYS 57 N 0.00 0.00 0.00 4.72 1.57 -1.27 -3.39 116.57 118.20 3gfh h LYS 57 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gfh h LYS 57 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 3gfh h LYS 57 CO 0.02 0.21 -1.03 1.04 -0.57 0.00 0.00 179.45 179.12 3gfh n GLN 58 N -2.94 0.59 -4.22 3.15 1.13 -0.49 -4.96 117.38 109.65 3gfh n GLN 58 Ca -0.02 0.11 -0.16 0.00 -1.94 0.00 0.00 57.00 54.99 3gfh n GLN 58 Cb 0.68 -1.81 -0.08 0.00 0.11 0.00 0.00 30.24 29.14 3gfh n GLN 58 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3gfh s ALA 59 N -3.36 1.42 -1.21 -1.58 0.00 -0.60 -4.89 121.76 111.55 3gfh s ALA 59 Ca -0.01 -1.84 -0.07 0.00 0.00 0.00 0.00 51.96 50.04 3gfh s ALA 59 Cb 0.10 1.40 0.22 0.00 0.00 0.00 0.00 23.12 24.84 3gfh s ALA 59 CO 0.79 -0.65 1.77 -0.12 0.00 0.00 0.00 175.76 177.55 3gfh n MET 60 N -0.47 4.04 -4.09 0.00 1.56 -1.26 -4.55 117.12 112.35 3gfh n MET 60 Ca 0.04 -3.91 -0.09 0.00 -0.27 0.00 0.00 57.70 53.47 3gfh n MET 60 Cb 0.64 -2.75 -0.10 0.00 2.15 0.00 0.00 33.22 33.15 3gfh n MET 60 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 3gfh s VAL 61 N -0.96 0.34 0.17 1.12 -7.23 -1.26 -4.28 120.40 108.29 3gfh s VAL 61 Ca 0.37 -1.62 0.01 0.00 -1.81 0.00 0.00 61.98 58.94 3gfh s VAL 61 Cb 0.09 -1.26 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 3gfh s VAL 61 CO 0.03 -0.83 0.02 -0.70 -0.31 0.00 0.00 175.10 173.31 3gfh s GLU 62 N -3.27 1.09 -0.12 4.82 2.56 0.09 -4.36 118.70 119.51 3gfh s GLU 62 Ca 0.03 -1.53 -0.26 0.00 0.00 0.00 0.00 54.97 53.21 3gfh s GLU 62 Cb 0.03 -0.14 -0.02 0.00 2.00 0.00 0.00 34.13 35.99 3gfh s GLU 62 CO -0.06 -0.17 0.84 0.08 -0.56 0.00 0.00 175.26 175.38 3gfh s VAL 63 N -3.76 4.90 -0.18 3.70 1.01 -1.26 0.11 120.40 124.93 3gfh s VAL 63 Ca 0.25 1.69 0.11 0.00 0.00 0.00 0.00 61.98 64.03 3gfh s VAL 63 Cb 0.07 -4.16 -0.23 0.00 0.00 0.00 0.00 36.38 32.06 3gfh s VAL 63 CO 0.04 0.09 0.14 0.52 0.00 0.00 0.00 175.10 175.89 3gfh n VAL 64 N 4.41 1.49 -3.97 2.92 0.31 0.14 -4.86 118.33 118.77 3gfh n VAL 64 Ca 0.04 -0.76 -0.11 0.00 -0.01 0.00 0.00 64.34 63.50 3gfh n VAL 64 Cb 0.50 -0.92 -0.12 0.00 -0.91 0.00 0.00 33.84 32.38 3gfh n VAL 64 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3gfh s TYR 65 N -2.52 0.25 -0.30 3.52 5.04 -1.09 -4.99 117.35 117.25 3gfh s TYR 65 Ca -0.16 -0.36 -0.09 0.00 -2.44 0.00 0.00 57.07 54.02 3gfh s TYR 65 Cb 0.07 -0.17 0.14 0.00 0.35 0.00 0.00 41.96 42.35 3gfh s TYR 65 CO 0.77 -0.12 0.65 0.20 -1.34 0.00 0.00 175.55 175.71 3gfh s GLY 66 N -1.01 -0.75 -0.10 8.97 0.00 -1.26 -2.44 107.32 110.72 3gfh s GLY 66 Ca -0.10 2.30 -0.30 0.00 0.00 0.00 0.00 44.72 46.62 3gfh s GLY 66 CO -0.01 3.12 0.90 0.50 0.00 0.00 0.00 173.10 177.62 3gfh s ARG 67 N 2.88 0.75 0.31 2.90 0.52 -1.17 -5.07 118.95 120.07 3gfh s ARG 67 Ca -0.02 0.07 0.08 0.00 -0.52 0.00 0.00 55.73 55.34 3gfh s ARG 67 Cb -0.12 0.35 -0.04 0.00 0.52 0.00 0.00 34.95 35.66 3gfh s ARG 67 CO -0.19 -0.26 0.14 -1.12 0.02 0.00 0.00 175.30 173.89 3gfh s SER 68 N -1.42 4.84 0.17 0.23 0.01 -1.26 -2.22 113.70 114.05 3gfh s SER 68 Ca -0.02 -0.64 -0.15 0.00 1.31 0.00 0.00 55.95 56.45 3gfh s SER 68 Cb -0.00 -0.88 -0.07 0.00 0.21 0.00 0.00 66.02 65.28 3gfh s SER 68 CO 0.01 -0.21 0.58 -0.76 0.41 0.00 0.00 173.24 173.27 3gfh s LEU 69 N -3.83 4.31 0.18 2.44 1.43 0.46 -4.88 118.68 118.79 3gfh s LEU 69 Ca 0.36 1.12 -0.13 0.00 -1.03 0.00 0.00 54.13 54.45 3gfh s LEU 69 Cb -0.04 -3.39 0.12 0.00 0.03 0.00 0.00 46.19 42.91 3gfh s LEU 69 CO 0.23 0.06 1.82 1.88 0.23 0.00 0.00 176.35 180.57 3gfh h TYR 70 N 3.38 0.62 -0.21 0.29 -1.99 -1.88 -2.84 116.97 114.34 3gfh h TYR 70 Ca -0.48 0.02 -0.12 0.00 2.00 0.00 0.00 58.73 60.15 3gfh h TYR 70 Cb 1.19 -0.20 -0.07 0.00 2.00 0.00 0.00 36.73 39.65 3gfh h TYR 70 CO 0.64 0.35 -0.31 0.00 -0.00 0.00 0.00 178.16 178.85 3gfh n ALA 71 N -2.29 4.07 0.00 3.88 0.00 -1.25 -3.75 120.51 121.17 3gfh n ALA 71 Ca 0.05 -3.26 0.00 0.00 0.00 0.00 0.00 53.44 50.22 3gfh n ALA 71 Cb 0.08 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3gfh n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gfh n GLY 72 N -1.11 -0.94 0.27 0.00 0.00 -1.07 -4.18 105.19 98.18 3gfh n GLY 72 Ca 0.27 -1.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.51 3gfh n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gfh h ALA 73 N 0.00 -0.44 -0.03 4.61 0.00 -1.89 -2.65 119.26 118.87 3gfh h ALA 73 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3gfh h ALA 73 Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3gfh h ALA 73 CO 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 179.25 178.46 3gfh n ALA 74 N -2.54 0.00 -1.52 0.00 0.00 -1.26 0.37 120.51 115.55 3gfh n ALA 74 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 3gfh n ALA 74 Cb 0.27 0.36 -0.02 0.00 0.00 0.00 0.00 19.45 20.06 3gfh n ALA 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3gfh n HIS 75 N -2.70 2.98 -3.96 0.00 -0.00 -1.16 -4.81 115.22 105.57 3gfh n HIS 75 Ca 0.00 -2.67 -0.31 0.00 -0.00 0.00 0.00 57.72 54.74 3gfh n HIS 75 Cb 0.00 -2.32 -0.15 0.00 -0.00 0.00 0.00 29.99 27.52 3gfh n HIS 75 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 3gfh s GLY 76 N 3.57 1.48 0.35 -1.41 0.00 1.18 -4.11 107.32 108.39 3gfh s GLY 76 Ca 0.51 -1.75 0.08 0.00 0.00 0.00 0.00 44.72 43.56 3gfh s GLY 76 CO -0.03 0.96 1.88 -0.56 0.00 0.00 0.00 173.10 175.35 3gfh h PRO 77 N 7.86 0.71 0.00 2.90 0.13 -1.87 -3.40 132.00 138.33 3gfh h PRO 77 Ca -0.14 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3gfh h PRO 77 Cb 1.05 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3gfh h PRO 77 CO 0.45 0.47 0.00 0.45 -0.23 0.00 0.00 178.00 179.14 3gfh n SER 78 N -4.55 0.00 0.00 1.44 2.88 -1.26 -4.99 113.62 107.14 3gfh n SER 78 Ca 0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 3gfh n SER 78 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 3gfh n SER 78 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3gfh n PRO 79 N 0.00 0.74 -0.08 -1.46 -0.04 -1.26 -4.86 135.00 128.05 3gfh n PRO 79 Ca 0.00 -0.04 0.08 0.00 -0.04 0.00 0.00 63.50 63.50 3gfh n PRO 79 Cb 0.00 -0.30 0.34 0.00 -0.04 0.00 0.00 33.50 33.50 3gfh n PRO 79 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3gfh n THR 80 N -0.12 0.20 -2.44 0.52 -1.04 -1.26 -4.13 114.28 106.01 3gfh n THR 80 Ca 0.00 -0.27 0.03 0.00 -2.04 0.00 0.00 64.05 61.78 3gfh n THR 80 Cb 0.08 0.17 0.04 0.00 -1.82 0.00 0.00 70.33 68.80 3gfh n THR 80 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gfh n ALA 81 N 0.05 2.56 -0.90 2.41 0.00 -1.26 -4.21 120.51 119.16 3gfh n ALA 81 Ca 0.13 -2.52 -0.34 0.00 0.00 0.00 0.00 53.44 50.71 3gfh n ALA 81 Cb 0.24 -0.71 0.03 0.00 0.00 0.00 0.00 19.45 19.00 3gfh n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gfh n GLY 82 N 0.18 -3.16 0.43 0.00 0.00 -1.26 -4.30 105.19 97.08 3gfh n GLY 82 Ca 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3gfh n GLY 82 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3gfh n GLU 83 N 2.24 0.14 -3.69 1.61 0.28 -0.21 -3.59 120.64 117.42 3gfh n GLU 83 Ca -0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.84 3gfh n GLU 83 Cb 0.63 -1.06 -0.08 0.00 1.43 0.00 0.00 31.44 32.35 3gfh n GLU 83 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 3gfh s VAL 84 N -1.14 0.02 -0.12 3.84 -7.23 -1.19 -0.40 120.40 114.17 3gfh s VAL 84 Ca 0.00 -0.18 -0.01 0.00 -1.81 0.00 0.00 61.98 59.98 3gfh s VAL 84 Cb 0.00 -0.72 -0.02 0.00 0.56 0.00 0.00 36.38 36.20 3gfh s VAL 84 CO 0.00 -0.10 -0.10 -0.22 -0.31 0.00 0.00 175.10 174.37 3gfh s LEU 85 N -0.67 2.94 -0.01 1.32 0.20 -0.94 -3.20 118.68 118.31 3gfh s LEU 85 Ca -0.08 -0.21 0.06 0.00 0.69 0.00 0.00 54.13 54.59 3gfh s LEU 85 Cb -0.03 -1.67 -0.03 0.00 -0.43 0.00 0.00 46.19 44.03 3gfh s LEU 85 CO 0.04 0.21 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.50 3gfh s ILE 86 N 0.07 2.68 -0.14 6.68 1.09 0.27 -3.02 121.20 128.84 3gfh s ILE 86 Ca -0.03 -1.01 0.02 0.00 -1.10 0.00 0.00 60.65 58.52 3gfh s ILE 86 Cb -0.14 -2.06 0.00 0.00 -1.06 0.00 0.00 42.46 39.20 3gfh s ILE 86 CO 0.04 0.49 -0.19 -0.04 -0.10 0.00 0.00 174.94 175.13 3gfh s MET 87 N -0.99 3.13 -0.15 2.79 -1.94 -1.02 -0.93 119.30 120.19 3gfh s MET 87 Ca 0.12 -0.80 -0.07 0.00 -1.71 0.00 0.00 55.69 53.23 3gfh s MET 87 Cb -0.10 -2.50 -0.04 0.00 2.01 0.00 0.00 34.83 34.20 3gfh s MET 87 CO 0.02 0.06 0.09 -0.51 -0.01 0.00 0.00 175.02 174.67 3gfh s LEU 88 N 0.68 4.05 -0.07 -0.03 1.43 0.25 -0.68 118.68 124.30 3gfh s LEU 88 Ca -0.09 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 3gfh s LEU 88 Cb -0.16 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 3gfh s LEU 88 CO 0.02 0.28 -0.07 -0.83 0.23 0.00 0.00 176.35 175.98 3gfh s GLY 89 N -0.27 1.69 0.37 -3.19 0.00 0.31 -0.63 107.32 105.61 3gfh s GLY 89 Ca 0.09 -0.89 -0.14 0.00 0.00 0.00 0.00 44.72 43.78 3gfh s GLY 89 CO 0.01 -0.65 0.74 -0.32 0.00 0.00 0.00 173.10 172.88 3gfh s GLY 90 N -0.78 0.49 0.01 0.20 0.00 -1.12 -0.73 107.32 105.38 3gfh s GLY 90 Ca 0.12 -0.82 0.25 0.00 0.00 0.00 0.00 44.72 44.26 3gfh s GLY 90 CO 0.01 -0.39 1.37 -1.55 0.00 0.00 0.00 173.10 172.54 3gfh n PRO 91 N -0.53 0.02 -3.91 2.90 -0.04 -1.25 -2.01 135.00 130.19 3gfh n PRO 91 Ca -0.07 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.32 3gfh n PRO 91 Cb 0.60 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 3gfh n PRO 91 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3gfh s ASN 92 N -3.09 -0.19 0.46 3.54 4.22 -1.26 -4.71 114.94 113.92 3gfh s ASN 92 Ca 0.10 -0.74 0.25 0.00 -2.14 0.00 0.00 52.86 50.34 3gfh s ASN 92 Cb 0.17 0.69 0.60 0.00 1.28 0.00 0.00 41.25 43.99 3gfh s ASN 92 CO 0.71 -1.29 1.70 -0.65 -2.04 0.00 0.00 177.10 175.54 3gfh h PRO 93 N 2.09 0.00 -0.17 3.55 0.11 -1.91 -3.19 132.00 132.48 3gfh h PRO 93 Ca -0.22 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.69 3gfh h PRO 93 Cb 1.25 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.37 3gfh h PRO 93 CO 0.28 0.03 -0.70 0.00 -0.21 0.00 0.00 178.00 177.40 3gfh h ALA 94 N 1.97 0.31 -0.18 -0.75 0.00 -1.99 -1.01 119.26 117.62 3gfh h ALA 94 Ca -0.00 -0.57 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 3gfh h ALA 94 Cb 0.89 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3gfh h ALA 94 CO 0.00 0.63 -0.21 0.93 0.00 0.00 0.00 179.25 180.61 3gfh h GLU 95 N 0.50 0.32 -0.05 0.00 4.39 -1.93 -1.93 114.58 115.88 3gfh h GLU 95 Ca -0.04 -0.10 -0.20 0.00 0.34 0.00 0.00 59.36 59.36 3gfh h GLU 95 Cb 1.33 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.94 3gfh h GLU 95 CO 0.15 0.52 -0.80 -0.39 -1.16 0.00 0.00 179.01 177.32 3gfh h VAL 96 N 0.29 1.39 -0.38 3.13 -1.51 -1.51 -2.80 116.25 114.86 3gfh h VAL 96 Ca 0.05 -2.26 -0.06 0.00 -1.23 0.00 0.00 66.70 63.20 3gfh h VAL 96 Cb 0.54 2.22 -0.02 0.00 -2.13 0.00 0.00 31.29 31.90 3gfh h VAL 96 CO 0.04 0.68 -0.01 0.03 -1.23 0.00 0.00 177.57 177.07 3gfh h ARG 97 N 0.26 0.61 0.00 5.19 2.47 -0.97 -0.49 114.38 121.46 3gfh h ARG 97 Ca -0.05 -0.15 -0.05 0.00 -1.26 0.00 0.00 59.98 58.47 3gfh h ARG 97 Cb 1.40 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.63 3gfh h ARG 97 CO 0.14 0.64 -0.25 0.00 0.56 0.00 0.00 179.97 181.06 3gfh h ALA 98 N 1.41 1.06 0.05 0.04 0.00 -1.35 0.51 119.26 120.97 3gfh h ALA 98 Ca 0.12 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3gfh h ALA 98 Cb 0.39 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.15 3gfh h ALA 98 CO 0.01 0.32 -0.48 0.78 0.00 0.00 0.00 179.25 179.88 3gfh h GLY 99 N 1.87 0.27 0.86 0.00 0.00 -1.04 -2.29 103.07 102.75 3gfh h GLY 99 Ca -0.00 -0.57 0.03 0.00 0.00 0.00 0.00 47.33 46.78 3gfh h GLY 99 CO 0.03 0.50 0.29 1.41 0.00 0.00 0.00 176.54 178.77 3gfh h LEU 100 N -0.45 0.46 -0.58 3.11 3.38 -0.99 0.14 115.31 120.39 3gfh h LEU 100 Ca -0.07 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.02 3gfh h LEU 100 Cb 1.29 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.85 3gfh h LEU 100 CO 0.09 0.32 -0.04 -0.78 0.09 0.00 0.00 178.44 178.13 3gfh h ASP 101 N 0.57 -0.34 0.28 -0.43 3.58 0.02 0.46 116.42 120.56 3gfh h ASP 101 Ca 0.20 0.15 -0.08 0.00 0.42 0.00 0.00 57.03 57.73 3gfh h ASP 101 Cb 0.03 0.29 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 3gfh h ASP 101 CO -0.10 -0.13 -0.34 0.00 -2.88 0.00 0.00 179.24 175.79 3gfh h ALA 102 N 1.55 1.36 0.12 -0.78 0.00 -0.58 -2.45 119.26 118.48 3gfh h ALA 102 Ca 0.30 -0.33 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 3gfh h ALA 102 Cb 0.47 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.21 3gfh h ALA 102 CO -0.53 0.46 -1.23 0.52 0.00 0.00 0.00 179.25 178.48 3gfh h MET 103 N 0.08 0.47 0.52 0.00 2.86 0.08 -3.23 114.93 115.71 3gfh h MET 103 Ca 0.01 -0.67 -0.03 0.00 -2.06 0.00 0.00 59.70 56.95 3gfh h MET 103 Cb 0.63 0.23 0.01 0.00 0.06 0.00 0.00 31.60 32.53 3gfh h MET 103 CO 0.05 1.29 -0.25 0.82 1.06 0.00 0.00 176.91 179.88 3gfh h ILE 104 N 0.19 0.00 -0.99 -1.22 5.03 -0.61 0.55 117.51 120.47 3gfh h ILE 104 Ca -0.16 -0.02 0.31 0.00 -0.12 0.00 0.00 64.86 64.86 3gfh h ILE 104 Cb 1.91 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 35.55 3gfh h ILE 104 CO 0.22 0.00 0.53 0.00 -0.68 0.00 0.00 178.15 178.22 3gfh h ALA 105 N -1.65 1.86 0.18 1.87 0.00 -1.63 0.13 119.26 120.02 3gfh h ALA 105 Ca -0.07 0.19 -0.31 0.00 0.00 0.00 0.00 54.91 54.72 3gfh h ALA 105 Cb 0.54 0.17 0.03 0.00 0.00 0.00 0.00 17.79 18.52 3gfh h ALA 105 CO 0.12 -0.54 -1.34 0.45 0.00 0.00 0.00 179.25 177.94 3gfh h HIS 106 N 0.33 0.88 -0.40 0.00 3.86 -1.54 1.57 115.15 119.84 3gfh h HIS 106 Ca 0.71 -0.61 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3gfh h HIS 106 Cb 1.58 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.98 3gfh h HIS 106 CO -0.04 1.46 0.24 0.82 0.86 0.00 0.00 177.93 181.27 3gfh h ILE 107 N 0.18 1.13 0.05 2.45 2.04 -0.10 0.37 117.51 123.63 3gfh h ILE 107 Ca -0.20 -0.30 -0.26 0.00 1.00 0.00 0.00 64.86 65.10 3gfh h ILE 107 Cb 2.03 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 3gfh h ILE 107 CO 0.25 0.13 -1.32 -0.33 0.00 0.00 0.00 178.15 176.88 3gfh h GLU 108 N 0.53 0.11 -2.06 2.37 5.08 -0.70 -3.40 114.58 116.51 3gfh h GLU 108 Ca 0.14 -0.18 -0.52 0.00 -1.00 0.00 0.00 59.36 57.80 3gfh h GLU 108 Cb -0.00 0.07 -0.40 0.00 0.50 0.00 0.00 28.75 28.92 3gfh h GLU 108 CO -0.03 0.97 -1.05 0.09 -1.00 0.00 0.00 179.01 177.99 3gfh n ASN 109 N -3.35 1.46 0.00 1.42 3.02 0.54 -4.84 115.26 113.51 3gfh n ASN 109 Ca -0.09 -3.08 0.00 0.00 -0.03 0.00 0.00 54.58 51.38 3gfh n ASN 109 Cb 1.00 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 3gfh n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gfh n GLY 110 N 0.46 4.03 3.74 7.41 0.00 0.13 -4.54 105.19 116.42 3gfh n GLY 110 Ca 0.25 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 3gfh n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gfh s ALA 111 N -1.71 2.35 -0.28 4.61 0.00 -1.24 -5.02 121.76 120.47 3gfh s ALA 111 Ca 0.00 1.02 -0.18 0.00 0.00 0.00 0.00 51.96 52.81 3gfh s ALA 111 Cb 0.00 -3.49 0.08 0.00 0.00 0.00 0.00 23.12 19.72 3gfh s ALA 111 CO 0.00 -1.54 0.72 0.00 0.00 0.00 0.00 175.76 174.94 3gfh s ALA 112 N -1.67 -1.89 1.18 0.00 0.00 -1.26 -4.90 121.76 113.21 3gfh s ALA 112 Ca 0.78 2.33 -0.13 0.00 0.00 0.00 0.00 51.96 54.94 3gfh s ALA 112 Cb -0.32 -1.40 0.29 0.00 0.00 0.00 0.00 23.12 21.69 3gfh s ALA 112 CO 0.39 -0.37 1.02 -0.06 0.00 0.00 0.00 175.76 176.75 3gfh s PHE 113 N 1.35 1.27 0.04 0.00 0.40 -1.26 -4.73 117.98 115.05 3gfh s PHE 113 Ca -0.08 1.22 -0.04 0.00 -0.60 0.00 0.00 56.93 57.43 3gfh s PHE 113 Cb -0.05 -3.09 -0.02 0.00 0.51 0.00 0.00 43.02 40.37 3gfh s PHE 113 CO -0.15 -3.97 0.06 -0.65 0.70 0.00 0.00 175.22 171.20 3gfh s GLN 114 N -4.41 0.57 0.03 0.44 -0.21 -0.31 -0.59 119.66 115.18 3gfh s GLN 114 Ca 0.69 -0.84 -0.30 0.00 0.02 0.00 0.00 55.36 54.93 3gfh s GLN 114 Cb -0.26 0.21 -0.04 0.00 1.00 0.00 0.00 33.01 33.93 3gfh s GLN 114 CO 0.65 -0.13 1.06 -1.58 -2.12 0.00 0.00 175.29 173.17 3gfh s TRP 115 N -2.78 3.59 -0.86 0.91 0.52 -0.43 -2.25 118.94 117.65 3gfh s TRP 115 Ca -0.04 1.57 0.25 0.00 0.02 0.00 0.00 56.10 57.90 3gfh s TRP 115 Cb -0.00 -3.22 0.45 0.00 -1.15 0.00 0.00 33.47 29.54 3gfh s TRP 115 CO -0.06 -0.45 1.38 0.00 0.02 0.00 0.00 176.95 177.84 3gfh n ALA 116 N 3.78 3.29 -3.11 0.98 0.00 -0.88 -3.74 120.51 120.83 3gfh n ALA 116 Ca 0.07 -0.31 -0.12 0.00 0.00 0.00 0.00 53.44 53.07 3gfh n ALA 116 Cb 0.49 -1.14 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 3gfh n ALA 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gfh s ASN 117 N -3.46 -0.23 0.34 0.00 4.22 -1.25 -4.66 114.94 109.90 3gfh s ASN 117 Ca 0.09 -0.07 0.06 0.00 -2.14 0.00 0.00 52.86 50.80 3gfh s ASN 117 Cb 0.16 0.40 0.71 0.00 1.28 0.00 0.00 41.25 43.80 3gfh s ASN 117 CO 0.71 -0.65 1.91 0.44 -2.04 0.00 0.00 177.10 177.47 3gfh h ASP 118 N 3.08 0.73 -0.88 3.54 5.19 -1.74 0.44 116.42 126.79 3gfh h ASP 118 Ca -0.31 0.02 0.25 0.00 -0.62 0.00 0.00 57.03 56.37 3gfh h ASP 118 Cb 1.20 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 40.54 3gfh h ASP 118 CO 0.44 0.43 0.71 0.00 -3.12 0.00 0.00 179.24 177.71 3gfh h ALA 119 N 1.58 2.76 -5.84 3.45 0.00 -1.94 -3.30 119.26 115.96 3gfh h ALA 119 Ca 0.38 -0.03 -0.43 0.00 0.00 0.00 0.00 54.91 54.83 3gfh h ALA 119 Cb 0.41 0.07 0.06 0.00 0.00 0.00 0.00 17.79 18.32 3gfh h ALA 119 CO -0.15 -1.16 -0.70 1.04 0.00 0.00 0.00 179.25 178.28 3gfh n GLN 120 N -4.00 -6.55 -0.16 0.00 6.02 0.14 -4.89 117.38 107.95 3gfh n GLN 120 Ca 0.18 0.74 0.05 0.00 -0.01 0.00 0.00 57.00 57.96 3gfh n GLN 120 Cb 1.02 -5.70 0.13 0.00 1.02 0.00 0.00 30.24 26.70 3gfh n GLN 120 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3gfh n ASP 121 N -2.86 2.79 -3.77 1.08 3.85 -1.26 -5.01 116.55 111.37 3gfh n ASP 121 Ca 0.01 -2.12 -0.13 0.00 -0.71 0.00 0.00 54.79 51.84 3gfh n ASP 121 Cb 0.55 -0.21 -0.10 0.00 -1.35 0.00 0.00 41.12 40.01 3gfh n ASP 121 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3gfh s THR 122 N -1.21 0.03 0.05 2.12 2.01 -1.26 -5.08 115.64 112.29 3gfh s THR 122 Ca 0.20 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 61.94 3gfh s THR 122 Cb 0.12 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 72.07 3gfh s THR 122 CO 0.11 -0.15 -0.08 0.00 -0.69 0.00 0.00 174.62 173.81 3gfh s ALA 123 N -0.68 0.59 0.12 7.40 0.00 -1.26 -2.08 121.76 125.85 3gfh s ALA 123 Ca -0.08 -0.80 -0.11 0.00 0.00 0.00 0.00 51.96 50.97 3gfh s ALA 123 Cb -0.04 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.14 3gfh s ALA 123 CO 0.02 -0.04 0.28 -0.59 0.00 0.00 0.00 175.76 175.44 3gfh s PHE 124 N -1.53 0.08 0.00 0.00 -0.12 -0.95 -4.28 117.98 111.18 3gfh s PHE 124 Ca -0.09 -0.46 0.08 0.00 -0.05 0.00 0.00 56.93 56.41 3gfh s PHE 124 Cb -0.09 0.05 -0.02 0.00 -0.63 0.00 0.00 43.02 42.33 3gfh s PHE 124 CO 0.00 -0.63 -0.26 -1.17 -0.05 0.00 0.00 175.22 173.11 3gfh s LEU 125 N -2.86 2.10 -0.36 -1.99 0.20 0.12 -1.16 118.68 114.73 3gfh s LEU 125 Ca 0.06 -0.51 0.05 0.00 0.69 0.00 0.00 54.13 54.43 3gfh s LEU 125 Cb 0.04 -1.32 0.17 0.00 -0.43 0.00 0.00 46.19 44.64 3gfh s LEU 125 CO -0.09 0.30 0.52 0.00 -0.29 0.00 0.00 176.35 176.78 3gfh s ALA 126 N -0.68 -1.66 -0.05 5.97 0.00 -1.24 -1.56 121.76 122.55 3gfh s ALA 126 Ca 0.11 0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.13 3gfh s ALA 126 Cb -0.10 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.63 3gfh s ALA 126 CO 0.00 -2.05 -0.08 -1.58 0.00 0.00 0.00 175.76 172.05 3gfh s HIS 127 N 2.03 1.02 -0.17 0.00 5.04 -0.98 -4.98 115.29 117.26 3gfh s HIS 127 Ca 0.14 -0.32 -0.24 0.00 -1.54 0.00 0.00 55.06 53.10 3gfh s HIS 127 Cb -0.09 -0.79 -0.02 0.00 0.04 0.00 0.00 32.58 31.72 3gfh s HIS 127 CO -0.14 -0.19 0.79 0.08 -2.34 0.00 0.00 174.74 172.95 3gfh s VAL 128 N 0.63 4.91 -0.60 0.89 1.01 -1.26 0.85 120.40 126.83 3gfh s VAL 128 Ca -0.10 1.55 -0.16 0.00 0.00 0.00 0.00 61.98 63.27 3gfh s VAL 128 Cb -0.13 -4.10 0.15 0.00 0.00 0.00 0.00 36.38 32.29 3gfh s VAL 128 CO 0.01 0.05 0.56 -0.69 0.00 0.00 0.00 175.10 175.04 3gfh s VAL 129 N 2.02 5.27 0.41 2.92 1.01 0.26 -4.93 120.40 127.37 3gfh s VAL 129 Ca 0.37 -1.67 0.20 0.00 0.00 0.00 0.00 61.98 60.87 3gfh s VAL 129 Cb -0.17 -4.37 0.40 0.00 0.00 0.00 0.00 36.38 32.24 3gfh s VAL 129 CO 0.12 -0.92 1.79 0.77 0.00 0.00 0.00 175.10 176.87 3gfh h SER 130 N 8.68 0.41 -1.83 3.32 4.64 -1.90 -3.09 113.55 123.77 3gfh h SER 130 Ca -0.22 0.07 -0.20 0.00 -0.47 0.00 0.00 61.79 60.98 3gfh h SER 130 Cb 1.09 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.88 3gfh h SER 130 CO 0.99 0.10 -0.53 -0.60 -0.87 0.00 0.00 176.83 175.91 3gfh s ARG 131 N -5.44 0.38 0.87 4.77 3.52 -1.26 -3.97 118.95 117.81 3gfh s ARG 131 Ca -0.08 0.23 -0.11 0.00 -0.13 0.00 0.00 55.73 55.64 3gfh s ARG 131 Cb 0.25 -0.42 0.12 0.00 -1.56 0.00 0.00 34.95 33.34 3gfh s ARG 131 CO 0.80 -0.90 1.15 0.95 -0.81 0.00 0.00 175.30 176.49 3gfh s THR 132 N 2.52 2.25 0.00 4.11 -4.23 -0.54 -4.79 115.64 114.96 3gfh s THR 132 Ca 0.11 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 3gfh s THR 132 Cb -0.14 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.44 3gfh s THR 132 CO -0.26 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 3gfh n GLY 133 N 0.07 5.05 0.22 3.99 0.00 -1.26 -2.25 105.19 111.00 3gfh n GLY 133 Ca 0.12 -1.79 0.13 0.00 0.00 0.00 0.00 46.02 44.48 3gfh n GLY 133 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gfh h SER 134 N 0.00 0.00 0.11 1.61 4.64 -1.87 -2.85 113.55 115.18 3gfh h SER 134 Ca 0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 3gfh h SER 134 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3gfh h SER 134 CO 0.00 0.00 -1.63 0.22 -0.87 0.00 0.00 176.83 174.55 3gfh h TYR 135 N 0.00 0.41 0.00 4.77 3.20 -1.88 -1.16 116.97 122.30 3gfh h TYR 135 Ca 0.00 -0.30 -0.08 0.00 3.14 0.00 0.00 58.73 61.49 3gfh h TYR 135 Cb 0.85 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 3gfh h TYR 135 CO 0.00 1.64 -0.43 -0.07 -1.64 0.00 0.00 178.16 177.66 3gfh h LEU 136 N -0.25 0.00 -0.01 2.82 3.38 -1.92 -3.02 115.31 116.32 3gfh h LEU 136 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3gfh h LEU 136 Cb 1.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.56 3gfh h LEU 136 CO 0.03 0.39 -0.61 -1.54 0.09 0.00 0.00 178.44 176.80 3gfh n SER 137 N -3.18 0.63 -0.01 -0.43 3.41 -1.08 -2.95 113.62 110.01 3gfh n SER 137 Ca 0.02 -0.44 0.19 0.00 -0.26 0.00 0.00 58.87 58.39 3gfh n SER 137 Cb 0.69 0.42 0.66 0.00 -0.26 0.00 0.00 64.21 65.72 3gfh n SER 137 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3gfh h SER 138 N 0.03 0.05 -0.00 4.04 0.87 -1.06 -2.99 113.55 114.49 3gfh h SER 138 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3gfh h SER 138 Cb 0.50 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 3gfh h SER 138 CO 0.00 0.03 0.00 0.74 -0.53 0.00 0.00 176.83 177.07 3gfh h THR 139 N 0.06 0.29 -1.97 2.23 2.02 -1.59 -3.49 112.91 110.47 3gfh h THR 139 Ca 0.26 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.51 3gfh h THR 139 Cb 0.96 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 3gfh h THR 139 CO -0.02 0.00 -0.10 0.00 0.37 0.00 0.00 175.52 175.77 3gfh n ALA 140 N -2.21 -0.70 0.00 6.16 0.00 -1.13 -4.80 120.51 117.82 3gfh n ALA 140 Ca -0.03 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3gfh n ALA 140 Cb 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.28 3gfh n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gfh n GLY 141 N -0.83 0.00 3.98 0.00 0.00 -1.26 -4.87 105.19 102.21 3gfh n GLY 141 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 3gfh n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gfh s ILE 142 N 0.00 2.66 -0.08 -0.61 1.09 -1.26 -5.06 121.20 117.94 3gfh s ILE 142 Ca 0.00 -0.72 -0.04 0.00 -1.10 0.00 0.00 60.65 58.79 3gfh s ILE 142 Cb 0.00 -2.93 0.04 0.00 -1.06 0.00 0.00 42.46 38.51 3gfh s ILE 142 CO 0.00 0.00 0.18 -0.89 -0.10 0.00 0.00 174.94 174.13 3gfh s THR 143 N -2.72 -0.04 -0.35 2.92 2.01 -1.26 -4.87 115.64 111.32 3gfh s THR 143 Ca 0.58 0.16 -0.39 0.00 0.31 0.00 0.00 61.69 62.35 3gfh s THR 143 Cb -0.10 -0.28 -0.14 0.00 0.01 0.00 0.00 72.50 71.99 3gfh s THR 143 CO 0.38 0.06 2.03 -0.11 -0.69 0.00 0.00 174.62 176.29 3gfh n LEU 144 N 4.13 1.97 0.00 4.42 0.00 -1.26 -1.58 117.00 124.68 3gfh n LEU 144 Ca -0.25 0.69 0.00 0.00 0.00 0.00 0.00 56.01 56.45 3gfh n LEU 144 Cb 0.53 -1.15 0.00 0.00 0.00 0.00 0.00 43.42 42.79 3gfh n LEU 144 CO 0.17 -0.63 0.00 0.61 0.00 0.00 0.00 177.39 177.54 3gfh n GLY 145 N 5.90 0.90 3.95 -3.96 0.00 -0.95 -4.98 105.19 106.05 3gfh n GLY 145 Ca 0.39 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.17 3gfh n GLY 145 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gfh s ASP 146 N -2.15 6.30 0.63 1.61 1.01 -0.61 -4.60 116.67 118.86 3gfh s ASP 146 Ca 0.00 0.11 -0.16 0.00 0.71 0.00 0.00 52.55 53.21 3gfh s ASP 146 Cb 0.00 -1.87 -0.02 0.00 1.01 0.00 0.00 42.92 42.04 3gfh s ASP 146 CO 0.00 -0.00 1.12 -2.84 0.21 0.00 0.00 175.17 173.66 3gfh s PRO 147 N -3.58 2.93 -0.27 8.23 0.02 -1.25 -1.46 135.00 139.61 3gfh s PRO 147 Ca 0.34 1.47 -0.25 0.00 0.02 0.00 0.00 61.00 62.59 3gfh s PRO 147 Cb -0.10 -1.96 0.08 0.00 0.02 0.00 0.00 34.50 32.54 3gfh s PRO 147 CO 0.29 -1.16 0.79 1.41 -0.33 0.00 0.00 177.00 177.99 3gfh s MET 148 N -3.85 0.76 -0.02 5.54 1.75 -1.17 -4.33 119.30 117.99 3gfh s MET 148 Ca 0.69 0.92 -0.02 0.00 -1.25 0.00 0.00 55.69 56.03 3gfh s MET 148 Cb -0.22 0.37 -0.04 0.00 2.84 0.00 0.00 34.83 37.78 3gfh s MET 148 CO 0.37 -0.09 0.12 0.00 -0.65 0.00 0.00 175.02 174.77 3gfh s ALA 149 N 0.38 3.73 -0.34 4.11 0.00 0.12 0.91 121.76 130.67 3gfh s ALA 149 Ca 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.17 3gfh s ALA 149 Cb -0.05 -1.72 0.10 0.00 0.00 0.00 0.00 23.12 21.45 3gfh s ALA 149 CO -0.01 0.70 0.10 -0.47 0.00 0.00 0.00 175.76 176.07 3gfh s TYR 150 N -1.20 2.43 -0.14 0.00 6.04 0.25 -2.18 117.35 122.54 3gfh s TYR 150 Ca 0.23 -2.24 -0.03 0.00 0.04 0.00 0.00 57.07 55.07 3gfh s TYR 150 Cb -0.12 -2.15 -0.03 0.00 -1.04 0.00 0.00 41.96 38.62 3gfh s TYR 150 CO 0.14 -0.89 -0.04 -0.51 -1.54 0.00 0.00 175.55 172.71 3gfh s LEU 151 N 1.23 3.27 -0.11 6.97 1.02 0.84 -2.32 118.68 129.59 3gfh s LEU 151 Ca 0.11 -0.09 -0.05 0.00 0.02 0.00 0.00 54.13 54.11 3gfh s LEU 151 Cb -0.19 -1.78 0.05 0.00 0.02 0.00 0.00 46.19 44.29 3gfh s LEU 151 CO -0.17 0.21 0.25 -0.69 0.02 0.00 0.00 176.35 175.96 3gfh s VAL 152 N 0.14 -0.07 0.31 -1.59 1.01 -0.60 -0.63 120.40 118.97 3gfh s VAL 152 Ca -0.01 0.16 -0.19 0.00 0.00 0.00 0.00 61.98 61.94 3gfh s VAL 152 Cb -0.14 -0.39 0.04 0.00 0.00 0.00 0.00 36.38 35.90 3gfh s VAL 152 CO 0.03 0.07 0.78 0.00 0.00 0.00 0.00 175.10 175.97 3gfh s ALA 153 N 1.35 -1.07 0.83 5.51 0.00 -0.42 0.12 121.76 128.09 3gfh s ALA 153 Ca -0.08 -0.47 -0.12 0.00 0.00 0.00 0.00 51.96 51.29 3gfh s ALA 153 Cb -0.11 0.76 0.09 0.00 0.00 0.00 0.00 23.12 23.87 3gfh s ALA 153 CO -0.09 -1.02 1.12 -2.14 0.00 0.00 0.00 175.76 173.63 3gfh s PRO 154 N -3.12 1.78 0.29 0.00 0.02 -1.26 -1.11 135.00 131.60 3gfh s PRO 154 Ca 0.13 0.47 0.04 0.00 0.02 0.00 0.00 61.00 61.67 3gfh s PRO 154 Cb -0.05 -1.90 0.65 0.00 0.02 0.00 0.00 34.50 33.22 3gfh s PRO 154 CO 0.08 -1.80 1.80 -1.35 -0.33 0.00 0.00 177.00 175.41 3gfh h PRO 155 N -1.21 0.85 -0.00 5.54 0.11 -1.85 0.61 132.00 136.04 3gfh h PRO 155 Ca -0.48 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 3gfh h PRO 155 Cb 1.29 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3gfh h PRO 155 CO 0.61 0.56 -0.06 1.25 -0.21 0.00 0.00 178.00 180.15 3gfh h LEU 156 N 0.87 0.05 -0.83 2.35 6.46 -1.98 -2.51 115.31 119.73 3gfh h LEU 156 Ca 0.54 -0.76 0.13 0.00 -0.12 0.00 0.00 57.88 57.67 3gfh h LEU 156 Cb 0.71 -0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 40.53 3gfh h LEU 156 CO -0.33 0.81 0.44 -0.33 -0.62 0.00 0.00 178.44 178.41 3gfh h GLU 157 N -0.70 0.64 -0.16 1.25 3.07 -1.80 -1.90 114.58 114.98 3gfh h GLU 157 Ca -0.01 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.73 3gfh h GLU 157 Cb 0.82 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.57 3gfh h GLU 157 CO 0.01 0.42 -0.30 0.00 -1.40 0.00 0.00 179.01 177.74 3gfh h ALA 158 N 1.53 1.20 -0.19 3.43 0.00 -0.82 0.93 119.26 125.34 3gfh h ALA 158 Ca 0.44 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3gfh h ALA 158 Cb 0.57 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3gfh h ALA 158 CO -0.33 0.53 -0.11 1.15 0.00 0.00 0.00 179.25 180.49 3gfh h THR 159 N 0.27 1.31 -0.18 0.00 2.02 -0.95 -0.58 112.91 114.80 3gfh h THR 159 Ca 0.04 -1.19 -0.17 0.00 0.77 0.00 0.00 66.41 65.86 3gfh h THR 159 Cb 0.67 1.69 -0.00 0.00 -1.74 0.00 0.00 68.15 68.77 3gfh h THR 159 CO 0.05 0.36 -0.60 0.22 0.37 0.00 0.00 175.52 175.92 3gfh h TYR 160 N 0.08 0.76 -0.61 3.16 3.20 -1.12 -2.89 116.97 119.54 3gfh h TYR 160 Ca 0.04 -0.28 -0.03 0.00 3.14 0.00 0.00 58.73 61.59 3gfh h TYR 160 Cb 0.60 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 3gfh h TYR 160 CO 0.07 1.04 0.24 0.78 -1.64 0.00 0.00 178.16 178.65 3gfh h GLY 161 N 1.01 0.96 1.12 1.82 0.00 0.95 -2.39 103.07 106.53 3gfh h GLY 161 Ca -0.00 -0.49 -0.22 0.00 0.00 0.00 0.00 47.33 46.61 3gfh h GLY 161 CO 0.11 0.47 -0.79 -2.22 0.00 0.00 0.00 176.54 174.12 3gfh h ILE 162 N 0.88 1.30 -0.35 2.60 2.04 -0.98 0.15 117.51 123.15 3gfh h ILE 162 Ca 0.21 -2.01 0.04 0.00 1.00 0.00 0.00 64.86 64.09 3gfh h ILE 162 Cb 0.18 2.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.35 3gfh h ILE 162 CO -0.02 0.63 0.14 -0.78 0.00 0.00 0.00 178.15 178.12 3gfh h ASP 163 N 0.42 0.17 -0.19 1.72 3.58 -1.55 -1.89 116.42 118.68 3gfh h ASP 163 Ca -0.07 0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.31 3gfh h ASP 163 Cb 1.43 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.47 3gfh h ASP 163 CO 0.16 0.13 -0.21 0.00 -2.88 0.00 0.00 179.24 176.45 3gfh h ALA 164 N 1.21 1.01 -0.69 -0.78 0.00 -1.13 -2.19 119.26 116.69 3gfh h ALA 164 Ca 0.16 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.77 3gfh h ALA 164 Cb 0.11 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3gfh h ALA 164 CO -0.15 0.59 0.41 0.00 0.00 0.00 0.00 179.25 180.11 3gfh h ALA 165 N 1.21 0.92 -0.11 0.00 0.00 -0.50 -2.42 119.26 118.36 3gfh h ALA 165 Ca 0.09 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3gfh h ALA 165 Cb 0.67 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3gfh h ALA 165 CO 0.05 0.14 -0.46 -0.07 0.00 0.00 0.00 179.25 178.90 3gfh h LEU 166 N 0.78 0.30 -0.43 0.00 3.38 -1.00 -2.17 115.31 116.16 3gfh h LEU 166 Ca 0.30 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3gfh h LEU 166 Cb 0.11 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3gfh h LEU 166 CO -0.15 0.72 0.00 0.11 0.09 0.00 0.00 178.44 179.21 3gfh h LYS 167 N 0.23 0.00 -0.12 1.13 1.57 -1.08 -3.22 116.57 115.08 3gfh h LYS 167 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3gfh h LYS 167 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 3gfh h LYS 167 CO 0.07 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.82 3gfh n SER 168 N -2.30 2.78 -3.59 0.86 3.41 -0.84 -5.01 113.62 108.93 3gfh n SER 168 Ca 0.03 -2.73 -0.04 0.00 -0.26 0.00 0.00 58.87 55.88 3gfh n SER 168 Cb 0.32 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 63.90 3gfh n SER 168 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gfh s ALA 169 N -2.27 -1.98 -0.98 7.33 0.00 -1.08 -4.52 121.76 118.27 3gfh s ALA 169 Ca 0.28 1.07 -0.18 0.00 0.00 0.00 0.00 51.96 53.13 3gfh s ALA 169 Cb 0.22 0.22 0.14 0.00 0.00 0.00 0.00 23.12 23.71 3gfh s ALA 169 CO 0.06 -0.77 1.19 0.16 0.00 0.00 0.00 175.76 176.40 3gfh s ASP 170 N -2.52 6.71 0.07 0.00 3.84 -1.26 -4.79 116.67 118.73 3gfh s ASP 170 Ca 0.09 -2.21 -0.05 0.00 -0.00 0.00 0.00 52.55 50.38 3gfh s ASP 170 Cb 0.00 -2.40 -0.02 0.00 -1.38 0.00 0.00 42.92 39.12 3gfh s ASP 170 CO -0.05 -1.01 0.09 0.68 -0.00 0.00 0.00 175.17 174.88 3gfh s VAL 171 N 2.52 0.18 0.09 2.11 -7.23 -1.26 -4.64 120.40 112.17 3gfh s VAL 171 Ca 0.35 -1.48 0.08 0.00 -1.81 0.00 0.00 61.98 59.12 3gfh s VAL 171 Cb -0.04 -1.44 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 3gfh s VAL 171 CO -0.08 -0.80 -0.19 -1.10 -0.31 0.00 0.00 175.10 172.62 3gfh s GLN 172 N -3.89 1.87 -0.47 4.82 -1.52 -0.27 -4.92 119.66 115.28 3gfh s GLN 172 Ca 0.06 -1.11 -0.24 0.00 -1.95 0.00 0.00 55.36 52.13 3gfh s GLN 172 Cb 0.06 -2.13 0.03 0.00 -0.22 0.00 0.00 33.01 30.75 3gfh s GLN 172 CO -0.10 0.50 0.83 -1.17 -0.25 0.00 0.00 175.29 175.09 3gfh s LEU 173 N -1.85 4.21 -0.20 2.90 0.20 -1.26 -1.00 118.68 121.68 3gfh s LEU 173 Ca 0.16 -0.13 -0.16 0.00 0.69 0.00 0.00 54.13 54.70 3gfh s LEU 173 Cb -0.10 -2.97 -0.20 0.00 -0.43 0.00 0.00 46.19 42.48 3gfh s LEU 173 CO 0.08 -0.98 0.16 0.00 -0.29 0.00 0.00 176.35 175.32 3gfh n ALA 174 N 6.88 0.89 -2.57 5.97 0.00 0.93 -4.95 120.51 127.66 3gfh n ALA 174 Ca 0.03 -0.62 -0.23 0.00 0.00 0.00 0.00 53.44 52.62 3gfh n ALA 174 Cb 0.48 -0.48 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 3gfh n ALA 174 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3gfh s THR 175 N -2.44 1.36 -0.10 0.00 2.01 -0.90 -4.80 115.64 110.76 3gfh s THR 175 Ca -0.29 -1.06 -0.03 0.00 0.31 0.00 0.00 61.69 60.62 3gfh s THR 175 Cb 0.07 -1.20 0.05 0.00 0.01 0.00 0.00 72.50 71.43 3gfh s THR 175 CO 0.63 0.12 0.11 -0.47 -0.69 0.00 0.00 174.62 174.31 3gfh s TYR 176 N -0.79 -0.02 -0.53 4.92 5.04 -1.26 -2.47 117.35 122.23 3gfh s TYR 176 Ca 0.04 0.26 -0.11 0.00 -2.44 0.00 0.00 57.07 54.82 3gfh s TYR 176 Cb -0.08 -0.44 0.13 0.00 0.35 0.00 0.00 41.96 41.92 3gfh s TYR 176 CO 0.01 -0.32 0.44 0.54 -1.34 0.00 0.00 175.55 174.88 3gfh s VAL 177 N 2.22 4.62 0.52 3.14 0.11 0.06 -5.02 120.40 126.05 3gfh s VAL 177 Ca 0.04 -1.82 -0.23 0.00 -2.93 0.00 0.00 61.98 57.04 3gfh s VAL 177 Cb -0.13 -3.99 -0.06 0.00 -1.53 0.00 0.00 36.38 30.66 3gfh s VAL 177 CO -0.06 -0.83 1.33 -0.81 -3.33 0.00 0.00 175.10 171.40 3gfh n PRO 178 N 4.86 1.75 -0.20 1.54 -0.04 -1.26 -2.54 135.00 139.12 3gfh n PRO 178 Ca -0.07 0.64 0.07 0.00 -0.04 0.00 0.00 63.50 64.10 3gfh n PRO 178 Cb 0.41 -2.53 0.14 0.00 -0.04 0.00 0.00 33.50 31.49 3gfh n PRO 178 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3gfh n PRO 179 N -0.73 -0.05 -2.54 0.54 -0.02 -1.26 -3.91 135.00 127.03 3gfh n PRO 179 Ca 0.09 0.85 -0.42 0.00 -2.02 0.00 0.00 63.50 62.01 3gfh n PRO 179 Cb 0.43 -1.33 -0.01 0.00 -0.02 0.00 0.00 33.50 32.57 3gfh n PRO 179 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3gfh s PRO 180 N -5.50 3.79 1.11 0.52 0.04 -1.26 -3.02 135.00 130.68 3gfh s PRO 180 Ca -0.08 -1.71 -0.14 0.00 0.04 0.00 0.00 61.00 59.12 3gfh s PRO 180 Cb 0.16 -5.47 0.25 0.00 0.04 0.00 0.00 34.50 29.48 3gfh s PRO 180 CO 0.44 -2.35 1.06 -1.54 0.04 0.00 0.00 177.00 174.65 3gfh s SER 181 N 4.59 1.59 0.23 6.66 1.04 -0.98 -4.89 113.70 121.94 3gfh s SER 181 Ca 0.53 1.20 -0.07 0.00 0.48 0.00 0.00 55.95 58.09 3gfh s SER 181 Cb 0.03 -1.86 0.27 0.00 0.10 0.00 0.00 66.02 64.55 3gfh s SER 181 CO 0.04 -3.78 1.84 -0.33 0.98 0.00 0.00 173.24 171.99 3gfh h GLU 182 N -2.34 0.87 0.00 4.02 4.39 -1.88 -1.86 114.58 117.79 3gfh h GLU 182 Ca -0.56 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.08 3gfh h GLU 182 Cb 1.33 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 3gfh h GLU 182 CO 0.52 0.58 0.00 -2.37 -1.16 0.00 0.00 179.01 176.58 3gfh n THR 183 N -4.66 0.30 -1.35 1.13 5.66 -1.25 -3.87 114.28 110.25 3gfh n THR 183 Ca 0.10 0.08 -0.00 0.00 -3.05 0.00 0.00 64.05 61.18 3gfh n THR 183 Cb 0.14 -0.69 -0.00 0.00 -1.55 0.00 0.00 70.33 68.23 3gfh n THR 183 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 3gfh n ASN 184 N -1.34 -2.30 -4.93 1.09 3.02 -0.70 -4.38 115.26 105.73 3gfh n ASN 184 Ca 0.10 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.40 3gfh n ASN 184 Cb 0.20 -0.51 0.01 0.00 -0.61 0.00 0.00 39.78 38.87 3gfh n ASN 184 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3gfh s TYR 185 N -2.00 1.56 0.12 3.10 1.51 -1.17 -4.43 117.35 116.05 3gfh s TYR 185 Ca 0.00 -0.83 0.06 0.00 -1.01 0.00 0.00 57.07 55.29 3gfh s TYR 185 Cb 0.00 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 3gfh s TYR 185 CO 0.00 -0.60 -0.14 0.45 -1.11 0.00 0.00 175.55 174.15 3gfh s SER 186 N -4.35 1.98 0.03 2.29 0.15 -0.27 -2.32 113.70 111.21 3gfh s SER 186 Ca 0.38 -0.81 -0.10 0.00 0.70 0.00 0.00 55.95 56.12 3gfh s SER 186 Cb -0.03 -0.07 0.01 0.00 -1.71 0.00 0.00 66.02 64.22 3gfh s SER 186 CO 0.24 -0.15 0.21 0.00 1.20 0.00 0.00 173.24 174.74 3gfh s ALA 187 N -2.16 -0.43 -0.17 5.45 0.00 -1.05 -1.30 121.76 122.10 3gfh s ALA 187 Ca 0.09 -0.17 -0.16 0.00 0.00 0.00 0.00 51.96 51.72 3gfh s ALA 187 Cb -0.05 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.35 3gfh s ALA 187 CO 0.03 -0.33 0.46 0.00 0.00 0.00 0.00 175.76 175.92 3gfh s ALA 188 N -2.25 -1.14 -0.17 0.00 0.00 0.20 -0.76 121.76 117.65 3gfh s ALA 188 Ca -0.08 1.29 -0.05 0.00 0.00 0.00 0.00 51.96 53.13 3gfh s ALA 188 Cb -0.03 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 3gfh s ALA 188 CO -0.02 -0.22 0.00 -0.06 0.00 0.00 0.00 175.76 175.47 3gfh s PHE 189 N 0.24 3.10 0.03 0.00 2.99 -1.03 -0.11 117.98 123.20 3gfh s PHE 189 Ca -0.00 -0.21 0.06 0.00 0.00 0.00 0.00 56.93 56.78 3gfh s PHE 189 Cb -0.03 -2.03 -0.02 0.00 0.00 0.00 0.00 43.02 40.94 3gfh s PHE 189 CO 0.01 -0.02 -0.17 -0.51 -0.00 0.00 0.00 175.22 174.53 3gfh s LEU 190 N 0.51 2.14 0.16 -0.37 1.43 -0.93 -0.05 118.68 121.58 3gfh s LEU 190 Ca -0.01 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 52.69 3gfh s LEU 190 Cb -0.14 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 3gfh s LEU 190 CO 0.02 0.11 0.21 -0.89 0.23 0.00 0.00 176.35 176.02 3gfh s THR 191 N -0.74 4.88 0.00 5.49 2.01 -0.17 -0.71 115.64 126.40 3gfh s THR 191 Ca 0.04 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.14 3gfh s THR 191 Cb -0.08 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.93 3gfh s THR 191 CO 0.01 -0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.44 3gfh n GLY 192 N -0.47 -0.99 3.46 4.40 0.00 -1.26 -1.12 105.19 109.21 3gfh n GLY 192 Ca -0.08 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 3gfh n GLY 192 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gfh n SER 193 N 0.00 -1.47 0.00 1.61 3.41 -1.26 -4.48 113.62 111.43 3gfh n SER 193 Ca 0.00 0.42 0.11 0.00 -0.26 0.00 0.00 58.87 59.14 3gfh n SER 193 Cb 0.00 -1.25 0.54 0.00 -0.26 0.00 0.00 64.21 63.24 3gfh n SER 193 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3gfh n GLN 194 N -1.71 0.29 -0.00 4.33 0.00 -1.26 -1.54 117.38 117.48 3gfh n GLN 194 Ca 0.08 0.09 0.03 0.00 -0.00 0.00 0.00 57.00 57.20 3gfh n GLN 194 Cb 0.52 -1.50 -0.05 0.00 0.00 0.00 0.00 30.24 29.22 3gfh n GLN 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gfh n ALA 195 N -1.30 2.22 0.22 1.69 0.00 -1.26 -4.30 120.51 117.79 3gfh n ALA 195 Ca 0.10 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.52 3gfh n ALA 195 Cb 0.17 -0.20 0.22 0.00 0.00 0.00 0.00 19.45 19.64 3gfh n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gfh h ALA 196 N 0.53 0.99 -0.01 0.00 0.00 -1.90 -2.35 119.26 116.52 3gfh h ALA 196 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gfh h ALA 196 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3gfh h ALA 196 CO 0.00 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3gfh n LYS 198 N -0.48 0.99 -0.04 0.00 4.81 -1.08 -2.28 118.16 120.08 3gfh n LYS 198 Ca 0.21 -0.07 -0.13 0.00 -0.87 0.00 0.00 58.31 57.45 3gfh n LYS 198 Cb 0.21 -1.42 -0.11 0.00 0.02 0.00 0.00 35.03 33.73 3gfh n LYS 198 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3gfh h ALA 199 N 1.15 -0.02 -0.70 3.14 0.00 -1.02 -2.37 119.26 119.44 3gfh h ALA 199 Ca -0.25 -0.37 0.15 0.00 0.00 0.00 0.00 54.91 54.43 3gfh h ALA 199 Cb 1.50 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.19 3gfh h ALA 199 CO 0.01 -0.11 0.15 0.00 0.00 0.00 0.00 179.25 179.31 3gfh h ALA 200 N 0.08 0.87 -0.55 0.00 0.00 -1.37 0.26 119.26 118.55 3gfh h ALA 200 Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3gfh h ALA 200 Cb 0.76 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3gfh h ALA 200 CO 0.00 -0.33 0.35 0.00 0.00 0.00 0.00 179.25 179.27 3gfh h ASN 202 N 0.74 -0.33 -0.31 0.00 4.21 -0.14 0.20 115.58 119.95 3gfh h ASN 202 Ca 0.20 -0.07 0.06 0.00 1.21 0.00 0.00 56.30 57.70 3gfh h ASN 202 Cb -0.05 0.08 -0.06 0.00 -1.12 0.00 0.00 38.32 37.18 3gfh h ASN 202 CO -0.04 -0.13 -0.07 0.00 -1.29 0.00 0.00 177.43 175.90 3gfh h ALA 203 N 0.17 0.22 0.20 -0.83 0.00 -0.49 -1.64 119.26 116.88 3gfh h ALA 203 Ca -0.04 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3gfh h ALA 203 Cb 0.38 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3gfh h ALA 203 CO 0.06 -0.46 -0.49 0.35 0.00 0.00 0.00 179.25 178.72 3gfh h PHE 204 N 0.01 -1.39 0.00 0.00 3.57 -0.41 -1.29 116.94 117.42 3gfh h PHE 204 Ca 0.15 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3gfh h PHE 204 Cb 0.23 0.58 0.00 0.00 2.79 0.00 0.00 35.95 39.55 3gfh h PHE 204 CO -0.29 -0.57 0.00 0.00 -2.23 0.00 0.00 178.31 175.22 3gfh h THR 205 N -0.75 0.00 0.13 4.41 1.03 -0.38 -1.53 112.91 115.82 3gfh h THR 205 Ca -0.02 -0.14 -0.25 0.00 -0.01 0.00 0.00 66.41 65.98 3gfh h THR 205 Cb 0.73 1.05 0.03 0.00 -1.07 0.00 0.00 68.15 68.88 3gfh h THR 205 CO -0.22 0.00 -1.07 0.44 -0.01 0.00 0.00 175.52 174.66 3gfh h ASP 206 N 0.00 0.72 0.13 0.00 3.32 -0.42 -2.94 116.42 117.22 3gfh h ASP 206 Ca 0.00 -0.87 -0.05 0.00 0.02 0.00 0.00 57.03 56.14 3gfh h ASP 206 Cb 0.15 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3gfh h ASP 206 CO 0.00 1.51 -0.18 0.00 -1.72 0.00 0.00 179.24 178.85 3gfh h ALA 207 N 0.21 1.58 0.06 3.45 0.00 -0.25 -0.06 119.26 124.25 3gfh h ALA 207 Ca -0.17 -0.20 -0.26 0.00 0.00 0.00 0.00 54.91 54.28 3gfh h ALA 207 Cb 1.80 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.54 3gfh h ALA 207 CO 0.20 0.31 -1.09 0.28 0.00 0.00 0.00 179.25 178.96 3gfh h VAL 208 N 0.10 1.40 -0.17 0.00 2.07 -1.46 -3.18 116.25 115.02 3gfh h VAL 208 Ca 0.02 -2.61 -0.08 0.00 0.82 0.00 0.00 66.70 64.85 3gfh h VAL 208 Cb 0.38 2.62 -0.00 0.00 -1.52 0.00 0.00 31.29 32.77 3gfh h VAL 208 CO 0.03 0.78 -0.22 -0.07 0.02 0.00 0.00 177.57 178.11 3gfh h LEU 209 N 0.20 0.48 -0.59 2.57 3.38 -1.32 -2.08 115.31 117.94 3gfh h LEU 209 Ca -0.12 -0.51 0.08 0.00 0.09 0.00 0.00 57.88 57.43 3gfh h LEU 209 Cb 1.76 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 42.27 3gfh h LEU 209 CO 0.19 0.89 -0.46 -0.33 0.09 0.00 0.00 178.44 178.83 3gfh h GLU 210 N 0.08 -0.22 -0.91 1.13 5.08 -1.12 0.33 114.58 118.95 3gfh h GLU 210 Ca 0.02 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.54 3gfh h GLU 210 Cb 0.78 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.98 3gfh h GLU 210 CO 0.05 -0.15 0.51 0.82 -1.00 0.00 0.00 179.01 179.25 3gfh h ILE 211 N -0.23 0.77 -0.62 3.13 1.08 -1.52 -2.01 117.51 118.11 3gfh h ILE 211 Ca 0.17 -0.25 -0.03 0.00 -0.39 0.00 0.00 64.86 64.36 3gfh h ILE 211 Cb 0.56 -0.03 -0.03 0.00 -3.07 0.00 0.00 36.82 34.25 3gfh h ILE 211 CO -0.70 0.13 0.26 0.00 -0.69 0.00 0.00 178.15 177.15 3gfh h ALA 212 N 1.57 1.29 0.03 1.87 0.00 0.28 -3.10 119.26 121.20 3gfh h ALA 212 Ca 0.49 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 3gfh h ALA 212 Cb 0.66 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3gfh h ALA 212 CO -0.34 0.53 -0.01 0.00 0.00 0.00 0.00 179.25 179.42 3gfh h ARG 213 N 0.88 -0.04 0.00 0.00 3.08 -0.28 -3.48 114.38 114.55 3gfh h ARG 213 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3gfh h ARG 213 Cb 0.16 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3gfh h ARG 213 CO -0.02 0.55 0.00 0.09 -1.07 0.00 0.00 179.97 179.52 3gfh n ASN 214 N -4.81 0.00 0.00 7.04 3.02 -0.82 -5.13 115.26 114.56 3gfh n ASN 214 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 3gfh n ASN 214 Cb 0.30 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 3gfh n ASN 214 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99