#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfd n SER 2 N 0.00 0.00 -3.89 6.12 7.64 -1.26 -4.95 113.62 117.28 2hfd n SER 2 Ca 0.00 0.58 -0.09 0.00 1.01 0.00 0.00 58.87 60.36 2hfd n SER 2 Cb 0.00 -0.08 -0.09 0.00 -1.01 0.00 0.00 64.21 63.04 2hfd n SER 2 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2hfd s ASN 3 N -2.06 0.13 -1.09 6.43 0.01 -1.26 -5.08 114.94 112.02 2hfd s ASN 3 Ca 0.00 -0.53 -0.18 0.00 -0.71 0.00 0.00 52.86 51.44 2hfd s ASN 3 Cb 0.00 0.27 0.12 0.00 0.41 0.00 0.00 41.25 42.05 2hfd s ASN 3 CO 0.00 -0.58 1.38 1.51 -1.51 0.00 0.00 177.10 177.89 2hfd s ASP 4 N -2.33 6.78 0.10 -1.22 -4.77 -1.26 -4.07 116.67 109.89 2hfd s ASP 4 Ca -0.02 -2.30 0.00 0.00 -3.30 0.00 0.00 52.55 46.94 2hfd s ASP 4 Cb 0.01 -2.46 0.00 0.00 -1.09 0.00 0.00 42.92 39.38 2hfd s ASP 4 CO -0.06 -1.06 0.00 0.41 0.70 0.00 0.00 175.17 175.16 2hfd n THR 5 N 5.62 0.00 -0.05 2.11 -1.04 -1.26 -4.62 114.28 115.04 2hfd n THR 5 Ca 0.33 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 62.20 2hfd n THR 5 Cb 0.47 -0.10 -0.07 0.00 -1.82 0.00 0.00 70.33 68.81 2hfd n THR 5 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2hfd h PRO 6 N 0.00 0.47 -0.21 -2.82 0.11 -2.00 -2.03 132.00 125.51 2hfd h PRO 6 Ca 0.00 -0.31 -0.12 0.00 0.11 0.00 0.00 66.00 65.68 2hfd h PRO 6 Cb 0.00 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 2hfd h PRO 6 CO 0.00 0.92 -0.38 0.35 -0.21 0.00 0.00 178.00 178.69 2hfd h PHE 7 N 0.09 0.55 -0.04 0.65 3.04 -1.91 -1.88 116.94 117.43 2hfd h PHE 7 Ca 0.00 -0.15 0.04 0.00 3.98 0.00 0.00 57.97 61.84 2hfd h PHE 7 Cb 0.92 -0.12 -0.05 0.00 2.56 0.00 0.00 35.95 39.26 2hfd h PHE 7 CO 0.10 0.78 -0.25 0.22 -2.02 0.00 0.00 178.31 177.15 2hfd h ASP 8 N 0.40 -0.75 -0.42 0.41 3.58 -1.80 0.35 116.42 118.19 2hfd h ASP 8 Ca 0.04 0.11 0.01 0.00 0.42 0.00 0.00 57.03 57.61 2hfd h ASP 8 Cb 0.84 0.31 -0.03 0.00 1.72 0.00 0.00 39.33 42.18 2hfd h ASP 8 CO 0.07 -0.31 0.26 0.00 -2.88 0.00 0.00 179.24 176.38 2hfd h ALA 9 N 0.50 0.53 -0.76 -0.78 0.00 -1.27 -0.18 119.26 117.30 2hfd h ALA 9 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2hfd h ALA 9 Cb 0.47 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2hfd h ALA 9 CO -0.25 -0.05 0.49 -0.07 0.00 0.00 0.00 179.25 179.37 2hfd h LEU 10 N 0.53 0.89 -0.58 0.00 -0.00 -0.84 -1.01 115.31 114.29 2hfd h LEU 10 Ca 0.16 -0.04 -0.10 0.00 -0.00 0.00 0.00 57.88 57.90 2hfd h LEU 10 Cb -0.02 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.40 2hfd h LEU 10 CO -0.06 0.66 -0.04 -0.25 -0.00 0.00 0.00 178.44 178.76 2hfd h TRP 11 N 1.03 1.15 -0.76 1.13 7.01 0.05 -1.92 115.95 123.64 2hfd h TRP 11 Ca 0.28 -0.21 0.06 0.00 2.11 0.00 0.00 58.89 61.12 2hfd h TRP 11 Cb -0.09 -0.30 -0.05 0.00 -2.10 0.00 0.00 29.16 26.63 2hfd h TRP 11 CO -0.02 1.03 0.50 1.96 -2.79 0.00 0.00 178.44 179.13 2hfd h GLN 12 N 0.94 0.81 0.36 2.65 1.08 -0.50 0.18 115.11 120.63 2hfd h GLN 12 Ca 0.16 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 2hfd h GLN 12 Cb 0.60 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2hfd h GLN 12 CO 0.04 0.54 -0.17 0.00 -0.95 0.00 0.00 178.83 178.28 2hfd h ARG 13 N 0.83 -0.46 -0.26 1.46 2.47 -0.55 -1.83 114.38 116.03 2hfd h ARG 13 Ca 0.32 0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 59.05 2hfd h ARG 13 Cb 0.21 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 2hfd h ARG 13 CO -0.11 -0.22 0.03 0.52 0.56 0.00 0.00 179.97 180.76 2hfd h MET 14 N -0.64 0.38 -0.75 0.04 2.86 -0.91 -2.02 114.93 113.90 2hfd h MET 14 Ca -0.05 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.47 2hfd h MET 14 Cb 0.46 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 2hfd h MET 14 CO 0.08 0.38 0.23 -0.07 1.06 0.00 0.00 176.91 178.60 2hfd h LEU 15 N 0.38 1.09 -1.58 1.22 -0.00 -0.52 -2.08 115.31 113.82 2hfd h LEU 15 Ca 0.09 -0.21 -0.04 0.00 -0.00 0.00 0.00 57.88 57.72 2hfd h LEU 15 Cb 0.20 -0.29 -0.01 0.00 -0.00 0.00 0.00 40.66 40.57 2hfd h LEU 15 CO 0.00 1.01 -0.19 0.00 -0.00 0.00 0.00 178.44 179.26 2hfd h ALA 16 N 1.12 1.22 0.00 1.53 0.00 -0.62 -1.83 119.26 120.68 2hfd h ALA 16 Ca 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2hfd h ALA 16 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2hfd h ALA 16 CO -0.01 0.24 0.00 0.54 0.00 0.00 0.00 179.25 180.02 2hfd n ARG 17 N -3.64 0.05 0.00 0.00 5.12 -0.80 -4.87 116.66 112.52 2hfd n ARG 17 Ca -0.01 0.18 0.00 0.00 -1.93 0.00 0.00 57.85 56.09 2hfd n ARG 17 Cb 0.32 -1.57 0.00 0.00 -1.16 0.00 0.00 32.46 30.05 2hfd n ARG 17 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hfd n GLY 18 N 0.64 0.82 3.66 -0.13 0.00 -0.69 -5.06 105.19 104.44 2hfd n GLY 18 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2hfd n GLY 18 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2hfd s TRP 19 N -2.00 3.38 -0.15 1.61 0.51 -1.11 -5.02 118.94 116.16 2hfd s TRP 19 Ca 0.00 1.30 -0.22 0.00 -2.12 0.00 0.00 56.10 55.06 2hfd s TRP 19 Cb 0.00 -3.10 -0.03 0.00 -0.81 0.00 0.00 33.47 29.53 2hfd s TRP 19 CO 0.00 -0.34 0.65 0.99 -0.51 0.00 0.00 176.95 177.74 2hfd s THR 20 N 2.57 5.03 0.31 2.01 2.01 -1.26 -4.38 115.64 121.93 2hfd s THR 20 Ca 0.39 1.28 -0.29 0.00 0.31 0.00 0.00 61.69 63.38 2hfd s THR 20 Cb -0.16 -3.98 -0.10 0.00 0.01 0.00 0.00 72.50 68.27 2hfd s THR 20 CO 0.10 0.16 1.27 -2.16 -0.69 0.00 0.00 174.62 173.30 2hfd s PRO 21 N 1.50 4.41 0.06 4.92 0.04 -1.25 -3.09 135.00 141.58 2hfd s PRO 21 Ca 0.32 2.13 0.05 0.00 0.04 0.00 0.00 61.00 63.53 2hfd s PRO 21 Cb -0.16 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 2hfd s PRO 21 CO 0.13 -0.12 -0.14 0.54 0.04 0.00 0.00 177.00 177.45 2hfd s VAL 22 N -1.01 1.06 0.56 -0.36 0.11 -0.28 -4.96 120.40 115.54 2hfd s VAL 22 Ca 0.49 -1.18 -0.06 0.00 -2.93 0.00 0.00 61.98 58.30 2hfd s VAL 22 Cb -0.38 -1.01 -0.00 0.00 -1.53 0.00 0.00 36.38 33.46 2hfd s VAL 22 CO 0.49 -0.16 0.87 -0.94 -3.33 0.00 0.00 175.10 172.03 2hfd s SER 23 N -1.52 5.76 0.12 3.54 1.04 -1.26 -3.00 113.70 118.38 2hfd s SER 23 Ca -0.01 0.76 -0.33 0.00 0.48 0.00 0.00 55.95 56.85 2hfd s SER 23 Cb -0.09 -1.84 -0.11 0.00 0.10 0.00 0.00 66.02 64.08 2hfd s SER 23 CO 0.02 -0.94 1.56 -0.08 0.98 0.00 0.00 173.24 174.78 2hfd h GLU 24 N -0.07 -0.60 0.00 4.02 4.81 -1.99 -1.01 114.58 119.75 2hfd h GLU 24 Ca -0.46 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.78 2hfd h GLU 24 Cb 1.24 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.75 2hfd h GLU 24 CO 0.61 -0.40 -0.17 1.03 -0.73 0.00 0.00 179.01 179.35 2hfd h SER 25 N -0.62 0.00 1.33 1.04 0.87 -1.98 -3.12 113.55 111.07 2hfd h SER 25 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2hfd h SER 25 Cb 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 2hfd h SER 25 CO -0.37 0.17 -0.36 -0.09 -0.53 0.00 0.00 176.83 175.65 2hfd h ARG 26 N 0.00 0.00 -0.58 2.24 9.65 -1.78 -3.10 114.38 120.82 2hfd h ARG 26 Ca -0.00 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.79 2hfd h ARG 26 Cb 1.02 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.58 2hfd h ARG 26 CO 0.02 0.00 -0.00 1.25 2.80 0.00 0.00 179.97 184.04 2hfd h LEU 27 N 0.00 0.98 -1.29 3.80 6.46 -1.14 -2.50 115.31 121.62 2hfd h LEU 27 Ca 0.00 -0.27 -0.07 0.00 -0.12 0.00 0.00 57.88 57.41 2hfd h LEU 27 Cb 0.85 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 2hfd h LEU 27 CO 0.00 1.04 -0.35 -0.78 -0.62 0.00 0.00 178.44 177.73 2hfd h ASP 28 N 0.92 0.00 0.14 1.25 3.58 -1.68 0.34 116.42 120.98 2hfd h ASP 28 Ca 0.17 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 2hfd h ASP 28 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2hfd h ASP 28 CO 0.03 0.35 -0.07 -0.78 -2.88 0.00 0.00 179.24 175.89 2hfd h ASP 29 N 0.00 -0.16 -0.92 2.28 3.58 -1.56 -1.66 116.42 117.98 2hfd h ASP 29 Ca -0.00 -0.17 0.03 0.00 0.42 0.00 0.00 57.03 57.30 2hfd h ASP 29 Cb 0.64 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.68 2hfd h ASP 29 CO 0.05 0.08 0.60 -0.50 -2.88 0.00 0.00 179.24 176.59 2hfd h TRP 30 N -0.40 1.14 -0.31 0.28 4.06 -1.01 -2.66 115.95 117.05 2hfd h TRP 30 Ca -0.02 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.93 2hfd h TRP 30 Cb 0.32 -0.38 -0.02 0.00 -1.00 0.00 0.00 29.16 28.08 2hfd h TRP 30 CO -0.00 0.67 0.06 -0.07 -3.56 0.00 0.00 178.44 175.54 2hfd h LEU 31 N 1.19 0.40 -0.01 -4.49 3.38 -0.10 0.40 115.31 116.08 2hfd h LEU 31 Ca 0.36 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.15 2hfd h LEU 31 Cb -0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2hfd h LEU 31 CO -0.11 0.42 -0.60 0.00 0.09 0.00 0.00 178.44 178.25 2hfd h THR 32 N 0.44 1.03 0.08 0.22 1.03 -1.05 -3.29 112.91 111.37 2hfd h THR 32 Ca 0.10 -2.45 -0.30 0.00 -0.01 0.00 0.00 66.41 63.76 2hfd h THR 32 Cb 0.19 2.50 -0.02 0.00 -1.07 0.00 0.00 68.15 69.75 2hfd h THR 32 CO -0.00 0.59 -1.56 1.56 -0.01 0.00 0.00 175.52 176.10 2hfd h GLN 33 N 0.00 0.16 -6.64 0.00 4.20 -1.06 -3.46 115.11 108.31 2hfd h GLN 33 Ca -0.01 -0.28 -0.51 0.00 0.06 0.00 0.00 58.65 57.92 2hfd h GLN 33 Cb 1.45 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 29.31 2hfd h GLN 33 CO 0.08 0.97 0.07 0.00 -0.67 0.00 0.00 178.83 179.28 2hfd s ALA 34 N -2.62 3.38 -0.00 3.87 0.00 0.14 -5.04 121.76 121.49 2hfd s ALA 34 Ca -0.08 0.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.86 2hfd s ALA 34 Cb 0.07 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 2hfd s ALA 34 CO 0.83 0.35 0.66 -1.35 0.00 0.00 0.00 175.76 176.26 2hfd h PRO 35 N 2.64 -0.20 0.00 0.00 0.11 -1.88 -3.45 132.00 129.21 2hfd h PRO 35 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2hfd h PRO 35 Cb 1.18 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2hfd h PRO 35 CO 0.66 -0.13 0.00 -0.25 -0.21 0.00 0.00 178.00 178.06 2hfd n ASP 36 N -2.86 0.00 0.00 -2.05 8.00 -1.26 -3.16 116.55 115.22 2hfd n ASP 36 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 2hfd n ASP 36 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 2hfd n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hfd n GLY 37 N 4.49 -0.54 2.91 0.44 0.00 -1.26 -4.63 105.19 106.60 2hfd n GLY 37 Ca 0.00 -1.67 -0.11 0.00 0.00 0.00 0.00 46.02 44.24 2hfd n GLY 37 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hfd s VAL 38 N -2.62 0.04 -0.03 1.61 -7.23 -1.03 -4.01 120.40 107.12 2hfd s VAL 38 Ca 0.00 -0.30 0.05 0.00 -1.81 0.00 0.00 61.98 59.92 2hfd s VAL 38 Cb 0.00 -0.09 -0.01 0.00 0.56 0.00 0.00 36.38 36.84 2hfd s VAL 38 CO 0.00 -0.16 -0.17 -0.69 -0.31 0.00 0.00 175.10 173.77 2hfd s VAL 39 N -0.48 1.34 -0.24 1.32 1.01 -1.04 -1.57 120.40 120.74 2hfd s VAL 39 Ca -0.05 -0.70 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 2hfd s VAL 39 Cb -0.03 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 2hfd s VAL 39 CO -0.00 0.38 0.51 -0.76 0.00 0.00 0.00 175.10 175.23 2hfd s LEU 40 N -0.20 4.08 0.09 3.92 1.02 -0.56 -0.67 118.68 126.36 2hfd s LEU 40 Ca 0.02 0.56 0.07 0.00 0.02 0.00 0.00 54.13 54.81 2hfd s LEU 40 Cb -0.09 -2.67 -0.04 0.00 0.02 0.00 0.00 46.19 43.42 2hfd s LEU 40 CO 0.00 -0.25 -0.14 -0.22 0.02 0.00 0.00 176.35 175.76 2hfd s LEU 41 N 2.10 2.87 -0.05 1.79 2.96 0.15 -3.55 118.68 124.94 2hfd s LEU 41 Ca 0.22 -0.43 -0.14 0.00 -0.22 0.00 0.00 54.13 53.56 2hfd s LEU 41 Cb -0.16 -1.68 0.03 0.00 0.50 0.00 0.00 46.19 44.88 2hfd s LEU 41 CO 0.09 0.20 0.32 -0.55 -1.32 0.00 0.00 176.35 175.09 2hfd s SER 42 N -1.99 -0.25 -0.41 3.68 0.15 -1.26 -1.43 113.70 112.20 2hfd s SER 42 Ca 0.19 0.29 0.09 0.00 0.70 0.00 0.00 55.95 57.22 2hfd s SER 42 Cb -0.11 0.44 0.38 0.00 -1.71 0.00 0.00 66.02 65.02 2hfd s SER 42 CO 0.11 -0.34 1.19 -1.20 1.20 0.00 0.00 173.24 174.20 2hfd n SER 43 N 1.80 -1.42 -0.72 5.45 7.64 -1.26 -2.86 113.62 122.24 2hfd n SER 43 Ca -0.19 -2.90 0.00 0.00 1.01 0.00 0.00 58.87 56.79 2hfd n SER 43 Cb 0.56 0.98 0.00 0.00 -1.01 0.00 0.00 64.21 64.74 2hfd n SER 43 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2hfd n ASP 44 N -0.19 -3.97 -4.73 6.43 2.03 -1.26 -3.91 116.55 110.95 2hfd n ASP 44 Ca 0.03 0.37 -0.42 0.00 0.52 0.00 0.00 54.79 55.30 2hfd n ASP 44 Cb 0.79 -1.39 -0.03 0.00 -0.72 0.00 0.00 41.12 39.77 2hfd n ASP 44 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 2hfd s PRO 45 N -2.92 4.16 0.25 -0.67 0.02 -1.26 -4.64 135.00 129.94 2hfd s PRO 45 Ca 0.00 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.52 2hfd s PRO 45 Cb 0.00 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.42 2hfd s PRO 45 CO 0.00 -0.66 0.00 1.17 -0.33 0.00 0.00 177.00 177.18 2hfd n LYS 46 N 3.58 0.00 -0.07 5.54 3.00 -1.26 -4.88 118.16 124.07 2hfd n LYS 46 Ca 0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.35 2hfd n LYS 46 Cb 0.37 -0.09 0.06 0.00 0.00 0.00 0.00 35.03 35.37 2hfd n LYS 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2hfd h ARG 47 N 0.00 0.75 -6.24 1.64 2.47 -1.83 -3.41 114.38 107.77 2hfd h ARG 47 Ca 0.00 -0.36 -0.55 0.00 -1.26 0.00 0.00 59.98 57.81 2hfd h ARG 47 Cb 0.01 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 2hfd h ARG 47 CO 0.00 0.97 1.00 0.99 0.56 0.00 0.00 179.97 183.49 2hfd s THR 48 N -4.41 3.83 0.10 2.04 2.01 -1.26 -4.62 115.64 113.33 2hfd s THR 48 Ca -0.09 1.03 -0.33 0.00 0.31 0.00 0.00 61.69 62.60 2hfd s THR 48 Cb 0.12 -3.66 -0.14 0.00 0.01 0.00 0.00 72.50 68.83 2hfd s THR 48 CO 0.85 -0.08 1.53 -0.65 -0.69 0.00 0.00 174.62 175.58 2hfd h PRO 49 N 8.89 -0.66 0.00 4.92 0.11 -1.97 -3.43 132.00 139.86 2hfd h PRO 49 Ca -0.35 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2hfd h PRO 49 Cb 1.15 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2hfd h PRO 49 CO 0.95 -0.44 0.00 0.39 -0.21 0.00 0.00 178.00 178.69 2hfd n GLU 50 N -5.35 0.00 0.02 1.05 -0.58 -1.26 -4.98 120.64 109.54 2hfd n GLU 50 Ca -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 2hfd n GLU 50 Cb 0.39 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.26 2hfd n GLU 50 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2hfd n VAL 51 N 0.00 0.00 -0.04 2.62 0.31 -1.26 -4.87 118.33 115.09 2hfd n VAL 51 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 2hfd n VAL 51 Cb 0.00 -0.07 -0.09 0.00 -0.91 0.00 0.00 33.84 32.77 2hfd n VAL 51 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2hfd h SER 52 N 0.00 -0.03 0.00 4.52 4.64 -1.97 -3.49 113.55 117.21 2hfd h SER 52 Ca 0.00 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 2hfd h SER 52 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2hfd h SER 52 CO 0.00 0.74 0.00 -0.67 -0.87 0.00 0.00 176.83 176.03 2hfd n ASP 53 N -4.72 0.00 -3.96 4.97 -0.08 -1.26 -4.25 116.55 107.24 2hfd n ASP 53 Ca -0.07 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.91 2hfd n ASP 53 Cb 0.31 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.63 2hfd n ASP 53 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 2hfd s ASN 54 N -4.00 4.43 -0.05 1.67 3.84 -1.26 -4.92 114.94 114.66 2hfd s ASN 54 Ca 0.00 -2.72 0.13 0.00 0.21 0.00 0.00 52.86 50.48 2hfd s ASN 54 Cb 0.00 -1.61 0.46 0.00 -0.55 0.00 0.00 41.25 39.55 2hfd s ASN 54 CO 0.00 -0.28 1.34 -0.81 -2.79 0.00 0.00 177.10 174.56 2hfd n PRO 55 N 3.50 2.58 0.11 0.43 -0.04 -1.26 -4.23 135.00 136.09 2hfd n PRO 55 Ca 0.05 -1.85 0.12 0.00 -0.04 0.00 0.00 63.50 61.78 2hfd n PRO 55 Cb 0.35 -1.57 0.23 0.00 -0.04 0.00 0.00 33.50 32.47 2hfd n PRO 55 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2hfd h VAL 56 N 2.77 0.00 -0.05 0.52 2.07 -1.96 -3.31 116.25 116.29 2hfd h VAL 56 Ca 0.00 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 66.88 2hfd h VAL 56 Cb 0.91 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2hfd h VAL 56 CO 0.10 0.00 0.13 0.00 0.02 0.00 0.00 177.57 177.83 2hfd h MET 57 N 0.00 0.00 -0.82 1.57 -0.00 -2.02 -1.87 114.93 111.78 2hfd h MET 57 Ca 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 59.70 59.90 2hfd h MET 57 Cb 0.83 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 32.38 2hfd h MET 57 CO 0.00 0.00 0.56 0.82 -0.00 0.00 0.00 176.91 178.29 2hfd h ILE 58 N 0.00 0.69 0.03 -0.10 1.08 -1.92 -1.38 117.51 115.90 2hfd h ILE 58 Ca 0.02 -0.10 -0.00 0.00 -0.39 0.00 0.00 64.86 64.40 2hfd h ILE 58 Cb 0.29 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.42 2hfd h ILE 58 CO -0.00 0.05 -0.01 1.23 -0.69 0.00 0.00 178.15 178.73 2hfd h GLY 59 N 0.28 -0.04 2.00 5.37 0.00 -1.64 -2.37 103.07 106.67 2hfd h GLY 59 Ca 0.41 0.01 -0.16 0.00 0.00 0.00 0.00 47.33 47.59 2hfd h GLY 59 CO -0.11 -0.01 -0.77 1.05 0.00 0.00 0.00 176.54 176.70 2hfd h GLU 60 N -0.08 0.00 -0.26 4.80 9.09 -1.73 -3.34 114.58 123.06 2hfd h GLU 60 Ca -0.00 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.43 2hfd h GLU 60 Cb 0.07 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.14 2hfd h GLU 60 CO 0.01 0.77 0.11 1.25 0.05 0.00 0.00 179.01 181.19 2hfd h LEU 61 N 0.00 0.14 -1.63 3.06 5.85 -0.98 -2.30 115.31 119.45 2hfd h LEU 61 Ca -0.01 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 2hfd h LEU 61 Cb 1.59 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 2hfd h LEU 61 CO 0.10 0.12 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.05 2hfd h LEU 62 N 0.24 0.00 0.00 2.25 4.07 -1.56 -2.72 115.31 117.59 2hfd h LEU 62 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.07 2hfd h LEU 62 Cb 0.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.80 2hfd h LEU 62 CO -0.10 0.20 0.00 0.54 -1.08 0.00 0.00 178.44 178.00 2hfd n ARG 63 N -3.80 0.04 0.10 1.13 5.12 -0.87 -1.17 116.66 117.20 2hfd n ARG 63 Ca -0.02 0.32 -0.01 0.00 -1.93 0.00 0.00 57.85 56.22 2hfd n ARG 63 Cb 0.30 -1.50 0.28 0.00 -1.16 0.00 0.00 32.46 30.38 2hfd n ARG 63 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2hfd h GLU 64 N 0.00 0.26 -2.32 5.56 4.39 -1.59 -3.36 114.58 117.52 2hfd h GLU 64 Ca 0.00 -0.10 -0.59 0.00 0.34 0.00 0.00 59.36 59.02 2hfd h GLU 64 Cb 0.08 -0.02 -0.39 0.00 -0.10 0.00 0.00 28.75 28.32 2hfd h GLU 64 CO 0.00 0.54 -0.92 1.19 -1.16 0.00 0.00 179.01 178.66 2hfd n PHE 65 N -4.12 0.42 1.31 4.33 3.72 -0.32 -4.94 117.46 117.87 2hfd n PHE 65 Ca -0.01 -3.64 0.08 0.00 -0.05 0.00 0.00 57.45 53.83 2hfd n PHE 65 Cb 0.40 -0.17 0.32 0.00 -0.94 0.00 0.00 39.48 39.09 2hfd n PHE 65 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2hfd n PRO 66 N 1.99 1.58 -0.04 -1.08 -0.04 -1.24 -3.57 135.00 132.59 2hfd n PRO 66 Ca 0.26 -0.89 0.12 0.00 -0.04 0.00 0.00 63.50 62.95 2hfd n PRO 66 Cb 0.47 -1.32 0.41 0.00 -0.04 0.00 0.00 33.50 33.02 2hfd n PRO 66 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2hfd n ASP 67 N 0.14 1.81 -3.99 3.54 2.03 -1.26 -4.83 116.55 113.99 2hfd n ASP 67 Ca 0.13 -1.65 -0.11 0.00 0.52 0.00 0.00 54.79 53.68 2hfd n ASP 67 Cb 0.25 -0.06 -0.12 0.00 -0.72 0.00 0.00 41.12 40.48 2hfd n ASP 67 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2hfd s TYR 68 N -1.88 0.37 0.09 -0.67 6.14 -1.23 -5.14 117.35 115.02 2hfd s TYR 68 Ca 0.35 -0.40 -0.22 0.00 0.64 0.00 0.00 57.07 57.44 2hfd s TYR 68 Cb 0.20 -0.24 -0.07 0.00 0.42 0.00 0.00 41.96 42.27 2hfd s TYR 68 CO 0.30 -0.11 0.65 -0.08 0.64 0.00 0.00 175.55 176.95 2hfd s THR 69 N -1.09 4.65 -0.24 4.34 -1.32 -1.26 -5.00 115.64 115.72 2hfd s THR 69 Ca -0.10 1.41 -0.00 0.00 -1.21 0.00 0.00 61.69 61.78 2hfd s THR 69 Cb -0.08 -4.00 0.03 0.00 -1.51 0.00 0.00 72.50 66.95 2hfd s THR 69 CO -0.00 0.51 -0.10 0.26 -2.21 0.00 0.00 174.62 173.07 2hfd s TRP 70 N -0.87 3.04 -0.58 9.09 0.52 -1.26 -4.77 118.94 124.11 2hfd s TRP 70 Ca 0.32 -1.73 -0.22 0.00 0.02 0.00 0.00 56.10 54.50 2hfd s TRP 70 Cb -0.20 -2.00 0.06 0.00 -1.15 0.00 0.00 33.47 30.18 2hfd s TRP 70 CO 0.21 -0.78 0.84 -0.65 0.02 0.00 0.00 176.95 176.59 2hfd s GLN 71 N 1.27 3.16 -0.51 4.98 -0.21 -1.26 -4.97 119.66 122.12 2hfd s GLN 71 Ca -0.01 -0.77 -0.23 0.00 0.02 0.00 0.00 55.36 54.38 2hfd s GLN 71 Cb -0.16 -4.16 0.04 0.00 1.00 0.00 0.00 33.01 29.73 2hfd s GLN 71 CO -0.06 -1.54 0.82 0.08 -2.12 0.00 0.00 175.29 172.46 2hfd s VAL 72 N 3.48 4.58 -0.03 1.09 1.01 -1.26 -2.47 120.40 126.80 2hfd s VAL 72 Ca 0.21 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.34 2hfd s VAL 72 Cb -0.17 -4.42 -0.03 0.00 0.00 0.00 0.00 36.38 31.76 2hfd s VAL 72 CO 0.12 -0.92 -0.05 0.00 0.00 0.00 0.00 175.10 174.25 2hfd s ALA 73 N 3.44 3.07 -0.03 5.51 0.00 -0.61 -4.39 121.76 128.75 2hfd s ALA 73 Ca 0.26 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.33 2hfd s ALA 73 Cb -0.14 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.72 2hfd s ALA 73 CO 0.18 0.60 -0.16 0.96 0.00 0.00 0.00 175.76 177.35 2hfd s ILE 74 N -0.93 2.95 0.34 0.00 -4.36 -1.18 -1.49 121.20 116.52 2hfd s ILE 74 Ca 0.15 -0.84 -0.03 0.00 -0.26 0.00 0.00 60.65 59.67 2hfd s ILE 74 Cb -0.11 -2.16 -0.04 0.00 1.25 0.00 0.00 42.46 41.39 2hfd s ILE 74 CO 0.05 0.54 0.59 0.00 0.24 0.00 0.00 174.94 176.36 2hfd s ALA 75 N -0.76 3.61 0.91 2.27 0.00 -1.23 -1.12 121.76 125.43 2hfd s ALA 75 Ca 0.12 -0.66 -0.10 0.00 0.00 0.00 0.00 51.96 51.31 2hfd s ALA 75 Cb -0.11 -2.29 0.14 0.00 0.00 0.00 0.00 23.12 20.87 2hfd s ALA 75 CO 0.01 0.06 1.11 -3.47 0.00 0.00 0.00 175.76 173.47 2hfd n ASP 76 N -1.42 0.24 0.23 0.00 2.03 -1.16 -4.70 116.55 111.76 2hfd n ASP 76 Ca -0.02 0.43 -0.15 0.00 0.52 0.00 0.00 54.79 55.56 2hfd n ASP 76 Cb 0.55 -1.47 -0.07 0.00 -0.72 0.00 0.00 41.12 39.41 2hfd n ASP 76 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2hfd h LEU 77 N -1.81 -0.80 0.08 -2.67 6.46 -1.97 0.20 115.31 114.79 2hfd h LEU 77 Ca -0.43 0.06 -0.29 0.00 -0.12 0.00 0.00 57.88 57.10 2hfd h LEU 77 Cb 1.27 0.26 0.02 0.00 -0.73 0.00 0.00 40.66 41.49 2hfd h LEU 77 CO 0.41 -0.45 -1.20 -0.33 -0.62 0.00 0.00 178.44 176.25 2hfd h GLU 78 N -0.68 0.60 0.00 1.25 5.08 -1.96 -3.31 114.58 115.56 2hfd h GLU 78 Ca -0.03 -0.77 -0.03 0.00 -1.00 0.00 0.00 59.36 57.53 2hfd h GLU 78 Cb 0.59 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 2hfd h GLU 78 CO -0.02 1.34 -0.15 1.96 -1.00 0.00 0.00 179.01 181.14 2hfd h GLN 79 N 0.28 0.00 -0.32 2.33 4.20 -1.91 -2.35 115.11 117.34 2hfd h GLN 79 Ca -0.17 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.39 2hfd h GLN 79 Cb 1.87 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.64 2hfd h GLN 79 CO 0.23 0.15 -0.39 0.66 -0.67 0.00 0.00 178.83 178.80 2hfd h SER 80 N 0.00 0.89 -0.86 1.46 4.64 -0.69 0.45 113.55 119.45 2hfd h SER 80 Ca -0.00 -0.49 -0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2hfd h SER 80 Cb 0.74 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.53 2hfd h SER 80 CO 0.02 1.21 0.53 -0.33 -0.87 0.00 0.00 176.83 177.38 2hfd h GLU 81 N 0.60 1.16 -0.23 4.77 5.08 -1.32 0.55 114.58 125.19 2hfd h GLU 81 Ca 0.04 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2hfd h GLU 81 Cb 0.99 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2hfd h GLU 81 CO 0.09 0.80 0.09 0.00 -1.00 0.00 0.00 179.01 179.00 2hfd h ALA 82 N 1.40 0.31 -0.92 3.43 0.00 -1.24 -1.70 119.26 120.54 2hfd h ALA 82 Ca 0.31 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.14 2hfd h ALA 82 Cb -0.07 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 2hfd h ALA 82 CO -0.06 -0.10 0.59 0.82 0.00 0.00 0.00 179.25 180.50 2hfd h ILE 83 N 0.23 1.13 0.30 0.00 2.04 -0.21 0.41 117.51 121.41 2hfd h ILE 83 Ca 0.08 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 2hfd h ILE 83 Cb 0.18 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.17 2hfd h ILE 83 CO -0.01 0.21 -0.16 1.23 0.00 0.00 0.00 178.15 179.42 2hfd h GLY 84 N 1.13 -0.45 0.74 5.37 0.00 -0.77 0.23 103.07 109.31 2hfd h GLY 84 Ca 0.37 0.18 0.06 0.00 0.00 0.00 0.00 47.33 47.95 2hfd h GLY 84 CO -0.13 -0.17 0.63 -1.80 0.00 0.00 0.00 176.54 175.06 2hfd h ASP 85 N -0.44 1.00 -0.37 0.19 3.58 -0.79 0.27 116.42 119.86 2hfd h ASP 85 Ca -0.04 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.37 2hfd h ASP 85 Cb 0.35 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 2hfd h ASP 85 CO 0.05 0.64 0.04 -0.09 -2.88 0.00 0.00 179.24 176.99 2hfd h ARG 86 N 1.14 0.71 0.00 0.28 2.43 0.15 -3.16 114.38 115.93 2hfd h ARG 86 Ca 0.42 -0.17 -0.24 0.00 -0.81 0.00 0.00 59.98 59.19 2hfd h ARG 86 Cb 0.17 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 2hfd h ARG 86 CO -0.17 0.70 -1.71 0.34 -1.51 0.00 0.00 179.97 177.62 2hfd n PHE 87 N -4.25 0.78 0.00 2.20 7.35 0.04 -4.96 117.46 118.61 2hfd n PHE 87 Ca 0.03 0.27 0.00 0.00 -0.76 0.00 0.00 57.45 56.99 2hfd n PHE 87 Cb 0.26 -1.08 0.00 0.00 0.35 0.00 0.00 39.48 39.01 2hfd n PHE 87 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2hfd n GLY 88 N 1.50 1.50 2.66 7.13 0.00 0.39 -5.06 105.19 113.32 2hfd n GLY 88 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 2hfd n GLY 88 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hfd n VAL 89 N -1.04 0.80 -3.47 1.61 0.31 0.66 -5.00 118.33 112.20 2hfd n VAL 89 Ca 0.00 -4.46 -0.38 0.00 -0.01 0.00 0.00 64.34 59.49 2hfd n VAL 89 Cb 0.00 -2.02 -0.09 0.00 -0.91 0.00 0.00 33.84 30.83 2hfd n VAL 89 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 2hfd s PHE 90 N -1.16 3.30 -0.91 3.52 5.36 -1.26 -4.11 117.98 122.74 2hfd s PHE 90 Ca 0.30 0.42 0.00 0.00 -0.96 0.00 0.00 56.93 56.68 2hfd s PHE 90 Cb 0.02 -2.47 0.00 0.00 -0.34 0.00 0.00 43.02 40.23 2hfd s PHE 90 CO -0.16 -0.08 0.00 -2.13 -1.46 0.00 0.00 175.22 171.39 2hfd n ARG 91 N 4.77 -0.78 -3.80 10.12 0.63 -1.25 -4.99 116.66 121.35 2hfd n ARG 91 Ca -0.10 0.57 -0.33 0.00 -0.92 0.00 0.00 57.85 57.07 2hfd n ARG 91 Cb 0.51 -4.60 -0.11 0.00 0.45 0.00 0.00 32.46 28.72 2hfd n ARG 91 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2hfd s PHE 92 N -2.47 3.49 -0.02 -0.14 0.08 -1.26 -4.19 117.98 113.46 2hfd s PHE 92 Ca 0.00 -3.05 -0.30 0.00 0.12 0.00 0.00 56.93 53.70 2hfd s PHE 92 Cb 0.00 -2.99 -0.04 0.00 -0.57 0.00 0.00 43.02 39.41 2hfd s PHE 92 CO 0.00 -0.72 1.29 -1.25 -0.10 0.00 0.00 175.22 174.44 2hfd s PRO 93 N -0.73 4.32 -0.02 0.24 0.04 -1.26 -4.71 135.00 132.88 2hfd s PRO 93 Ca 0.21 1.82 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 2hfd s PRO 93 Cb -0.15 -3.55 0.06 0.00 0.04 0.00 0.00 34.50 30.89 2hfd s PRO 93 CO -0.07 -0.50 0.82 0.00 0.04 0.00 0.00 177.00 177.29 2hfd n ALA 94 N 5.22 -2.32 -2.89 8.56 0.00 -0.51 -4.36 120.51 124.21 2hfd n ALA 94 Ca 0.12 -0.51 -0.36 0.00 0.00 0.00 0.00 53.44 52.69 2hfd n ALA 94 Cb 0.45 0.09 -0.11 0.00 0.00 0.00 0.00 19.45 19.87 2hfd n ALA 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2hfd s THR 95 N -2.06 4.63 -0.10 0.00 2.01 -1.12 -0.67 115.64 118.32 2hfd s THR 95 Ca 0.19 -0.07 -0.15 0.00 0.31 0.00 0.00 61.69 61.97 2hfd s THR 95 Cb -0.00 -3.15 -0.05 0.00 0.01 0.00 0.00 72.50 69.31 2hfd s THR 95 CO -0.01 0.36 0.38 -0.76 -0.69 0.00 0.00 174.62 173.90 2hfd s LEU 96 N 1.24 4.32 -0.14 4.42 1.02 0.15 0.17 118.68 129.87 2hfd s LEU 96 Ca 0.05 0.73 0.02 0.00 0.02 0.00 0.00 54.13 54.95 2hfd s LEU 96 Cb -0.14 -2.52 0.01 0.00 0.02 0.00 0.00 46.19 43.55 2hfd s LEU 96 CO 0.04 0.14 -0.21 0.54 0.02 0.00 0.00 176.35 176.88 2hfd s VAL 97 N 0.04 2.17 -0.08 -1.59 0.11 -0.82 -2.50 120.40 117.74 2hfd s VAL 97 Ca 0.21 -0.95 -0.03 0.00 -2.93 0.00 0.00 61.98 58.28 2hfd s VAL 97 Cb -0.15 -1.87 0.04 0.00 -1.53 0.00 0.00 36.38 32.88 2hfd s VAL 97 CO 0.08 0.55 0.17 0.72 -3.33 0.00 0.00 175.10 173.29 2hfd s PHE 98 N 0.75 -0.20 -0.21 1.54 -0.12 -1.26 -2.41 117.98 116.07 2hfd s PHE 98 Ca -0.08 0.56 -0.17 0.00 -0.05 0.00 0.00 56.93 57.19 2hfd s PHE 98 Cb -0.16 -0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.13 2hfd s PHE 98 CO -0.00 -0.19 0.46 0.95 -0.05 0.00 0.00 175.22 176.39 2hfd s THR 99 N 1.27 5.15 -1.69 -4.49 -4.23 -0.43 -4.09 115.64 107.11 2hfd s THR 99 Ca -0.08 0.82 0.00 0.00 -1.18 0.00 0.00 61.69 61.24 2hfd s THR 99 Cb -0.11 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 69.94 2hfd s THR 99 CO -0.07 0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 2hfd n GLY 100 N 4.00 0.11 1.93 3.99 0.00 -1.19 -0.50 105.19 113.53 2hfd n GLY 100 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2hfd n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hfd n GLY 101 N -0.79 0.50 3.59 -0.02 0.00 -1.25 -5.00 105.19 102.21 2hfd n GLY 101 Ca -0.21 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 2hfd n GLY 101 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hfd s ASN 102 N -2.18 5.41 0.04 1.61 0.02 0.34 -5.06 114.94 115.12 2hfd s ASN 102 Ca 0.00 0.02 -0.30 0.00 -1.02 0.00 0.00 52.86 51.55 2hfd s ASN 102 Cb 0.00 -1.92 -0.07 0.00 0.02 0.00 0.00 41.25 39.28 2hfd s ASN 102 CO 0.00 0.16 1.61 -0.47 0.02 0.00 0.00 177.10 178.42 2hfd s TYR 103 N 0.44 2.41 -0.21 2.20 5.04 -1.26 -1.32 117.35 124.64 2hfd s TYR 103 Ca 0.02 0.38 -0.12 0.00 -2.44 0.00 0.00 57.07 54.90 2hfd s TYR 103 Cb -0.13 -3.91 -0.09 0.00 0.35 0.00 0.00 41.96 38.18 2hfd s TYR 103 CO 0.01 -3.64 -0.29 0.54 -1.34 0.00 0.00 175.55 170.83 2hfd n ARG 104 N 5.83 0.48 -3.18 4.97 5.12 -1.01 -4.92 116.66 123.95 2hfd n ARG 104 Ca 0.16 0.21 0.00 0.00 -1.93 0.00 0.00 57.85 56.28 2hfd n ARG 104 Cb 0.41 -1.30 0.00 0.00 -1.16 0.00 0.00 32.46 30.41 2hfd n ARG 104 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hfd n GLY 105 N 1.60 -1.34 2.98 -0.13 0.00 -1.13 -4.99 105.19 102.18 2hfd n GLY 105 Ca -0.40 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.44 2hfd n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hfd s VAL 106 N -2.50 0.75 -0.76 1.61 0.11 -1.26 -1.95 120.40 116.39 2hfd s VAL 106 Ca 0.00 -0.31 -0.23 0.00 -2.93 0.00 0.00 61.98 58.51 2hfd s VAL 106 Cb 0.00 -0.69 0.07 0.00 -1.53 0.00 0.00 36.38 34.23 2hfd s VAL 106 CO 0.00 0.25 1.11 -0.76 -3.33 0.00 0.00 175.10 172.37 2hfd s LEU 107 N 0.40 4.13 0.14 2.54 1.43 0.13 -4.93 118.68 122.52 2hfd s LEU 107 Ca -0.06 -1.10 0.05 0.00 -1.03 0.00 0.00 54.13 51.98 2hfd s LEU 107 Cb -0.11 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 2hfd s LEU 107 CO 0.01 -1.47 -0.11 0.54 0.23 0.00 0.00 176.35 175.54 2hfd s ASN 108 N 3.83 1.85 0.00 2.29 2.20 -1.26 -2.80 114.94 121.04 2hfd s ASN 108 Ca 0.29 -0.96 0.00 0.00 -0.94 0.00 0.00 52.86 51.26 2hfd s ASN 108 Cb -0.11 -0.03 0.00 0.00 -2.00 0.00 0.00 41.25 39.11 2hfd s ASN 108 CO 0.06 -0.28 0.00 0.61 -2.94 0.00 0.00 177.10 174.55 2hfd n GLY 109 N -0.00 1.35 5.28 0.45 0.00 -1.26 -4.77 105.19 106.24 2hfd n GLY 109 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2hfd n GLY 109 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hfd n ILE 110 N -2.00 0.00 -0.44 -0.61 2.08 -1.26 -4.92 119.36 112.21 2hfd n ILE 110 Ca 0.00 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.35 2hfd n ILE 110 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 38.87 2hfd n ILE 110 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 2hfd n HIS 111 N 0.00 -1.19 -1.48 1.39 8.25 -1.26 -4.77 115.22 116.16 2hfd n HIS 111 Ca 0.00 0.66 -0.33 0.00 -0.26 0.00 0.00 57.72 57.78 2hfd n HIS 111 Cb 0.00 -1.16 0.08 0.00 1.12 0.00 0.00 29.99 30.03 2hfd n HIS 111 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2hfd s PRO 112 N -3.70 2.29 0.30 -0.41 0.02 -1.26 -4.71 135.00 127.53 2hfd s PRO 112 Ca 0.00 1.57 0.03 0.00 0.02 0.00 0.00 61.00 62.62 2hfd s PRO 112 Cb 0.00 -1.87 0.61 0.00 0.02 0.00 0.00 34.50 33.26 2hfd s PRO 112 CO 0.00 -1.68 1.86 2.35 -0.33 0.00 0.00 177.00 179.20 2hfd h TRP 113 N -0.36 1.06 -0.79 6.54 -0.00 -1.98 0.36 115.95 120.77 2hfd h TRP 113 Ca -0.47 0.03 0.06 0.00 -0.00 0.00 0.00 58.89 58.51 2hfd h TRP 113 Cb 1.27 -0.34 -0.06 0.00 -0.00 0.00 0.00 29.16 30.04 2hfd h TRP 113 CO 0.51 0.43 0.48 0.00 -0.00 0.00 0.00 178.44 179.86 2hfd h ALA 114 N 1.55 1.08 0.00 2.65 0.00 -2.01 -0.83 119.26 121.70 2hfd h ALA 114 Ca 0.47 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.18 2hfd h ALA 114 Cb 0.50 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2hfd h ALA 114 CO -0.23 0.22 -0.96 0.93 0.00 0.00 0.00 179.25 179.20 2hfd h GLU 115 N 0.89 0.00 -0.60 0.00 3.07 -1.44 -3.18 114.58 113.32 2hfd h GLU 115 Ca 0.34 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.14 2hfd h GLU 115 Cb 0.15 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 2hfd h GLU 115 CO -0.17 0.82 0.11 1.25 -1.40 0.00 0.00 179.01 179.63 2hfd h LEU 116 N 0.00 0.93 -0.46 1.33 5.85 0.20 0.03 115.31 123.19 2hfd h LEU 116 Ca -0.04 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.46 2hfd h LEU 116 Cb 1.70 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.45 2hfd h LEU 116 CO 0.11 0.95 0.25 0.40 -0.34 0.00 0.00 178.44 179.80 2hfd h ILE 117 N 0.88 1.00 0.35 4.05 2.04 -1.24 0.17 117.51 124.76 2hfd h ILE 117 Ca 0.18 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 2hfd h ILE 117 Cb 0.40 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2hfd h ILE 117 CO 0.01 0.09 -0.42 -1.13 0.00 0.00 0.00 178.15 176.70 2hfd h ASN 118 N 0.49 -1.16 -0.52 1.72 -1.24 -1.42 -1.58 115.58 111.88 2hfd h ASN 118 Ca 0.19 0.10 0.03 0.00 0.71 0.00 0.00 56.30 57.34 2hfd h ASN 118 Cb 0.07 0.40 -0.04 0.00 0.73 0.00 0.00 38.32 39.48 2hfd h ASN 118 CO -0.12 -0.55 0.30 -0.07 -1.29 0.00 0.00 177.43 175.70 2hfd h LEU 119 N -0.81 0.47 -0.09 0.34 3.38 -0.84 -1.01 115.31 116.75 2hfd h LEU 119 Ca -0.02 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2hfd h LEU 119 Cb 0.74 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 2hfd h LEU 119 CO -0.11 0.33 -0.23 -0.03 0.09 0.00 0.00 178.44 178.50 2hfd h MET 120 N 0.59 -0.30 -0.24 1.13 4.05 -0.44 0.15 114.93 119.87 2hfd h MET 120 Ca 0.22 0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.59 2hfd h MET 120 Cb 0.06 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 2hfd h MET 120 CO -0.12 -0.20 -0.13 0.00 0.23 0.00 0.00 176.91 176.69 2hfd h ARG 121 N -0.31 0.39 -0.01 0.39 3.08 -1.07 0.14 114.38 116.99 2hfd h ARG 121 Ca 0.09 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 2hfd h ARG 121 Cb 0.43 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 2hfd h ARG 121 CO -0.27 0.53 -0.58 0.78 -1.07 0.00 0.00 179.97 179.36 2hfd h GLY 122 N 0.87 0.03 0.00 0.04 0.00 -0.41 -2.07 103.07 101.53 2hfd h GLY 122 Ca 0.07 -0.04 -0.12 0.00 0.00 0.00 0.00 47.33 47.24 2hfd h GLY 122 CO 0.03 0.03 -0.76 1.41 0.00 0.00 0.00 176.54 177.25 2hfd h LEU 123 N 0.02 0.00 -0.96 3.11 3.38 -0.11 -3.38 115.31 117.37 2hfd h LEU 123 Ca -0.01 -0.50 -0.11 0.00 0.09 0.00 0.00 57.88 57.36 2hfd h LEU 123 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2hfd h LEU 123 CO 0.08 1.19 -0.49 1.62 0.09 0.00 0.00 178.44 180.92 2hfd h VAL 124 N -1.00 1.35 0.00 1.22 3.04 -0.88 -3.46 116.25 116.52 2hfd h VAL 124 Ca -0.19 -1.70 0.00 0.00 -1.01 0.00 0.00 66.70 63.80 2hfd h VAL 124 Cb 1.01 1.89 0.00 0.00 -2.01 0.00 0.00 31.29 32.18 2hfd h VAL 124 CO -0.11 0.49 0.00 1.21 -1.01 0.00 0.00 177.57 178.15 2hfd n GLU 125 N -3.95 0.00 -1.75 4.17 2.13 -0.78 -4.74 120.64 115.71 2hfd n GLU 125 Ca -0.02 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.40 2hfd n GLU 125 Cb 0.52 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.20 2hfd n GLU 125 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2hfd s PRO 126 N 0.00 2.76 -1.39 5.31 0.04 -1.26 -4.85 135.00 135.61 2hfd s PRO 126 Ca 0.00 1.46 -0.15 0.00 0.04 0.00 0.00 61.00 62.35 2hfd s PRO 126 Cb 0.00 -4.40 0.06 0.00 0.04 0.00 0.00 34.50 30.20 2hfd s PRO 126 CO 0.00 -2.53 2.03 1.04 0.04 0.00 0.00 177.00 177.58 2hfd n GLN 127 N 8.84 3.02 -1.37 4.56 6.02 -1.26 -4.36 117.38 132.82 2hfd n GLN 127 Ca 0.29 -2.90 -0.24 0.00 -0.01 0.00 0.00 57.00 54.13 2hfd n GLN 127 Cb 0.50 -3.34 0.11 0.00 1.02 0.00 0.00 30.24 28.52 2hfd n GLN 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hfd n GLN 128 N 6.79 2.65 -4.18 -1.09 10.64 -1.26 -4.98 117.38 125.96 2hfd n GLN 128 Ca 0.50 -3.43 -0.14 0.00 -1.83 0.00 0.00 57.00 52.10 2hfd n GLN 128 Cb 0.41 -2.17 -0.11 0.00 -0.86 0.00 0.00 30.24 27.52 2hfd n GLN 128 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 2hfd s GLU 129 N -3.57 0.86 -0.95 2.61 2.56 -1.26 -5.10 118.70 113.85 2hfd s GLU 129 Ca 0.56 -1.21 -0.15 0.00 0.00 0.00 0.00 54.97 54.17 2hfd s GLU 129 Cb 0.46 -0.48 0.19 0.00 2.00 0.00 0.00 34.13 36.30 2hfd s GLU 129 CO 0.02 0.06 1.03 1.03 -0.56 0.00 0.00 175.26 176.84 2hfd s ARG 130 N -3.06 3.74 -0.08 4.30 0.52 -1.26 -4.81 118.95 118.31 2hfd s ARG 130 Ca 0.07 -2.32 -0.07 0.00 -0.52 0.00 0.00 55.73 52.90 2hfd s ARG 130 Cb -0.01 -4.71 0.01 0.00 0.52 0.00 0.00 34.95 30.76 2hfd s ARG 130 CO -0.01 -1.52 0.12 0.00 0.02 0.00 0.00 175.30 173.91 2hfd n ALA 131 N 4.98 -1.73 -0.70 2.13 0.00 -1.26 -5.27 120.51 118.65 2hfd n ALA 131 Ca 0.22 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2hfd n ALA 131 Cb 0.46 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.27 2hfd n ALA 131 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95