#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfd s SER 2 N 0.00 5.07 -0.73 6.12 0.01 -1.26 -4.98 113.70 117.93 2hfd s SER 2 Ca 0.00 -2.27 0.04 0.00 1.31 0.00 0.00 55.95 55.03 2hfd s SER 2 Cb 0.00 -1.77 0.21 0.00 0.21 0.00 0.00 66.02 64.67 2hfd s SER 2 CO 0.00 -0.45 0.67 -3.20 0.41 0.00 0.00 173.24 170.67 2hfd n ASN 3 N 4.23 3.63 -1.15 2.44 5.15 -1.26 -5.04 115.26 123.25 2hfd n ASN 3 Ca 0.01 -3.30 0.15 0.00 -0.60 0.00 0.00 54.58 50.84 2hfd n ASN 3 Cb 0.40 -0.79 -0.05 0.00 -0.53 0.00 0.00 39.78 38.81 2hfd n ASN 3 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2hfd n ASP 4 N 1.56 -6.85 0.17 1.20 -0.08 -1.26 -4.93 116.55 106.37 2hfd n ASP 4 Ca 0.24 0.64 0.00 0.00 -1.51 0.00 0.00 54.79 54.16 2hfd n ASP 4 Cb 0.37 -3.59 0.00 0.00 2.34 0.00 0.00 41.12 40.25 2hfd n ASP 4 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2hfd n THR 5 N -3.76 0.00 0.01 5.18 -1.04 -1.26 -4.90 114.28 108.51 2hfd n THR 5 Ca -0.01 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.89 2hfd n THR 5 Cb 0.53 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.95 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 -0.11 -0.56 -2.82 0.11 -1.98 -1.89 132.00 124.75 2hfd h PRO 6 Ca 0.00 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 2hfd h PRO 6 Cb 0.00 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 2hfd h PRO 6 CO 0.00 0.44 0.02 0.35 -0.21 0.00 0.00 178.00 178.60 2hfd h PHE 7 N -0.83 1.06 -0.09 0.65 3.57 -1.98 0.31 116.94 119.63 2hfd h PHE 7 Ca -0.01 -0.18 0.04 0.00 3.53 0.00 0.00 57.97 61.36 2hfd h PHE 7 Cb 0.60 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 2hfd h PHE 7 CO 0.13 0.95 -0.25 0.22 -2.23 0.00 0.00 178.31 177.13 2hfd h ASP 8 N 0.87 -0.75 -0.07 0.41 3.58 -1.91 0.25 116.42 118.81 2hfd h ASP 8 Ca 0.16 0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.73 2hfd h ASP 8 Cb 0.51 0.32 -0.00 0.00 1.72 0.00 0.00 39.33 41.88 2hfd h ASP 8 CO 0.02 -0.30 0.04 0.00 -2.88 0.00 0.00 179.24 176.12 2hfd h ALA 9 N 0.57 0.08 -0.38 -0.78 0.00 -1.12 0.07 119.26 117.71 2hfd h ALA 9 Ca 0.09 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2hfd h ALA 9 Cb 0.46 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2hfd h ALA 9 CO -0.28 -0.39 0.23 -0.07 0.00 0.00 0.00 179.25 178.73 2hfd h LEU 10 N 0.04 0.37 -0.16 0.00 -0.00 -0.64 0.15 115.31 115.07 2hfd h LEU 10 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 2hfd h LEU 10 Cb 0.05 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 2hfd h LEU 10 CO -0.00 0.27 0.05 -0.25 -0.00 0.00 0.00 178.44 178.50 2hfd h TRP 11 N 0.46 0.26 -0.90 1.13 7.01 -0.38 -2.87 115.95 120.67 2hfd h TRP 11 Ca 0.15 -0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 2hfd h TRP 11 Cb -0.00 -0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 26.94 2hfd h TRP 11 CO -0.07 0.36 0.50 1.96 -2.79 0.00 0.00 178.44 178.40 2hfd h GLN 12 N 0.08 1.24 0.40 2.65 1.08 -0.66 0.46 115.11 120.37 2hfd h GLN 12 Ca 0.05 -0.14 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 2hfd h GLN 12 Cb 0.23 -0.25 -0.00 0.00 -0.05 0.00 0.00 27.48 27.41 2hfd h GLN 12 CO -0.00 0.90 -0.23 0.00 -0.95 0.00 0.00 178.83 178.56 2hfd h ARG 13 N 1.25 -0.57 0.00 1.46 2.47 -0.58 -2.28 114.38 116.14 2hfd h ARG 13 Ca 0.32 0.04 -0.11 0.00 -1.26 0.00 0.00 59.98 58.97 2hfd h ARG 13 Cb 0.01 0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 2hfd h ARG 13 CO -0.05 -0.38 -0.51 0.00 0.56 0.00 0.00 179.97 179.59 2hfd h MET 14 N -0.59 0.00 -0.97 0.04 -0.00 -1.38 -2.80 114.93 109.23 2hfd h MET 14 Ca -0.05 0.00 0.07 0.00 -0.00 0.00 0.00 59.70 59.72 2hfd h MET 14 Cb 0.47 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 32.01 2hfd h MET 14 CO 0.06 0.51 0.63 -0.07 -0.00 0.00 0.00 176.91 178.04 2hfd h LEU 15 N 0.00 0.98 -2.15 -0.10 3.38 -0.66 -1.36 115.31 115.40 2hfd h LEU 15 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hfd h LEU 15 Cb 0.94 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2hfd h LEU 15 CO 0.07 0.62 0.00 0.00 0.09 0.00 0.00 178.44 179.22 2hfd h ALA 16 N 1.48 1.00 0.00 1.53 0.00 -1.13 -0.50 119.26 121.64 2hfd h ALA 16 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2hfd h ALA 16 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2hfd h ALA 16 CO -0.17 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.08 2hfd h ARG 17 N 0.00 0.00 0.00 0.00 2.47 -1.33 -3.46 114.38 112.06 2hfd h ARG 17 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2hfd h ARG 17 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 2hfd h ARG 17 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.94 2hfd n GLY 18 N 0.56 1.25 3.66 0.04 0.00 -0.20 -5.08 105.19 105.43 2hfd n GLY 18 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.08 1.61 0.51 -1.22 -5.02 118.94 116.12 2hfd s TRP 19 Ca 0.00 1.33 -0.18 0.00 -2.12 0.00 0.00 56.10 55.14 2hfd s TRP 19 Cb 0.00 -3.12 -0.05 0.00 -0.81 0.00 0.00 33.47 29.50 2hfd s TRP 19 CO 0.00 -0.34 0.47 0.99 -0.51 0.00 0.00 176.95 177.56 2hfd s THR 20 N 2.59 5.12 -0.02 2.01 2.01 -1.26 -4.61 115.64 121.47 2hfd s THR 20 Ca 0.40 0.95 -0.30 0.00 0.31 0.00 0.00 61.69 63.06 2hfd s THR 20 Cb -0.16 -3.80 -0.07 0.00 0.01 0.00 0.00 72.50 68.48 2hfd s THR 20 CO 0.10 0.39 1.74 -2.84 -0.69 0.00 0.00 174.62 173.32 2hfd s PRO 21 N 0.16 4.17 -0.10 4.92 0.02 -1.25 -2.99 135.00 139.94 2hfd s PRO 21 Ca 0.26 2.31 -0.04 0.00 0.02 0.00 0.00 61.00 63.55 2hfd s PRO 21 Cb -0.16 -4.01 -0.04 0.00 0.02 0.00 0.00 34.50 30.32 2hfd s PRO 21 CO 0.11 -0.87 0.05 0.54 -0.33 0.00 0.00 177.00 176.51 2hfd s VAL 22 N 4.05 4.73 0.20 3.83 0.11 0.13 -4.96 120.40 128.49 2hfd s VAL 22 Ca 0.77 -0.09 -0.08 0.00 -2.93 0.00 0.00 61.98 59.66 2hfd s VAL 22 Cb -0.36 -3.02 -0.06 0.00 -1.53 0.00 0.00 36.38 31.40 2hfd s VAL 22 CO 0.33 0.61 0.48 -0.44 -3.33 0.00 0.00 175.10 172.75 2hfd s SER 23 N -0.91 6.57 0.12 3.54 0.01 -1.26 -4.10 113.70 117.67 2hfd s SER 23 Ca 0.14 0.79 -0.22 0.00 1.31 0.00 0.00 55.95 57.97 2hfd s SER 23 Cb -0.12 -2.17 -0.05 0.00 0.21 0.00 0.00 66.02 63.89 2hfd s SER 23 CO 0.03 -0.03 1.70 -0.08 0.41 0.00 0.00 173.24 175.26 2hfd h GLU 24 N 2.61 -0.09 -0.44 12.44 4.22 -1.94 0.40 114.58 131.78 2hfd h GLU 24 Ca -0.47 0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.98 2hfd h GLU 24 Cb 1.17 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2hfd h GLU 24 CO 0.70 -0.06 0.00 0.43 -2.18 0.00 0.00 179.01 177.91 2hfd n SER 25 N -5.22 1.47 0.00 1.04 7.64 -1.26 -2.71 113.62 114.58 2hfd n SER 25 Ca -0.04 -2.09 0.00 0.00 1.01 0.00 0.00 58.87 57.76 2hfd n SER 25 Cb 0.15 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 2hfd n SER 25 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2hfd n ARG 26 N 0.10 6.00 -0.25 1.43 3.00 -0.51 -4.72 116.66 121.72 2hfd n ARG 26 Ca 0.07 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.93 2hfd n ARG 26 Cb 0.28 -0.52 0.13 0.00 0.00 0.00 0.00 32.46 32.36 2hfd n ARG 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2hfd h LEU 27 N 0.00 0.51 -0.50 6.15 7.12 -0.76 -2.16 115.31 125.67 2hfd h LEU 27 Ca 0.00 0.05 -0.05 0.00 0.13 0.00 0.00 57.88 58.02 2hfd h LEU 27 Cb 0.00 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.07 2hfd h LEU 27 CO 0.00 0.30 0.13 -0.78 -0.13 0.00 0.00 178.44 177.96 2hfd h ASP 28 N 0.64 0.76 0.53 1.25 3.58 -1.84 -0.08 116.42 121.26 2hfd h ASP 28 Ca 0.35 -0.22 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 2hfd h ASP 28 Cb 0.33 -0.20 0.01 0.00 1.72 0.00 0.00 39.33 41.19 2hfd h ASP 28 CO -0.25 0.78 -0.26 -0.78 -2.88 0.00 0.00 179.24 175.86 2hfd h ASP 29 N 0.69 -0.61 -0.81 2.28 3.58 -1.76 0.39 116.42 120.19 2hfd h ASP 29 Ca 0.16 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 2hfd h ASP 29 Cb 0.31 0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.48 2hfd h ASP 29 CO -0.00 -0.39 0.38 -0.25 -2.88 0.00 0.00 179.24 176.10 2hfd h TRP 30 N -0.78 1.17 0.00 0.28 7.01 -1.38 -2.34 115.95 119.92 2hfd h TRP 30 Ca -0.07 -0.06 -0.11 0.00 2.11 0.00 0.00 58.89 60.76 2hfd h TRP 30 Cb 0.58 -0.36 -0.02 0.00 -2.10 0.00 0.00 29.16 27.26 2hfd h TRP 30 CO -0.03 0.86 -0.52 1.25 -2.79 0.00 0.00 178.44 177.22 2hfd h LEU 31 N 1.15 0.00 -0.55 0.65 7.12 -0.90 0.31 115.31 123.08 2hfd h LEU 31 Ca 0.28 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 58.16 2hfd h LEU 31 Cb 0.13 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.24 2hfd h LEU 31 CO -0.03 0.52 -0.58 0.00 -0.13 0.00 0.00 178.44 178.21 2hfd h THR 32 N 0.00 1.20 0.07 1.05 1.03 -0.49 -3.25 112.91 112.52 2hfd h THR 32 Ca -0.01 -2.17 -0.32 0.00 -0.01 0.00 0.00 66.41 63.90 2hfd h THR 32 Cb 0.94 2.25 -0.03 0.00 -1.07 0.00 0.00 68.15 70.25 2hfd h THR 32 CO 0.07 0.57 -1.76 0.00 -0.01 0.00 0.00 175.52 174.39 2hfd n GLN 33 N -3.53 0.68 -3.56 0.00 6.02 -0.92 -4.68 117.38 111.39 2hfd n GLN 33 Ca -0.00 0.38 -0.41 0.00 -0.01 0.00 0.00 57.00 56.96 2hfd n GLN 33 Cb 0.66 -1.71 -0.07 0.00 1.02 0.00 0.00 30.24 30.13 2hfd n GLN 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hfd s ALA 34 N -2.48 3.61 0.31 -1.58 0.00 0.11 -5.07 121.76 116.65 2hfd s ALA 34 Ca -0.26 -2.96 -0.28 0.00 0.00 0.00 0.00 51.96 48.46 2hfd s ALA 34 Cb 0.07 -2.92 -0.10 0.00 0.00 0.00 0.00 23.12 20.18 2hfd s ALA 34 CO 0.69 -2.05 1.14 -2.14 0.00 0.00 0.00 175.76 173.40 2hfd s PRO 35 N 0.61 4.49 0.17 0.00 0.02 -1.23 -4.36 135.00 134.69 2hfd s PRO 35 Ca 0.12 1.87 0.00 0.00 0.02 0.00 0.00 61.00 63.01 2hfd s PRO 35 Cb -0.20 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.25 2hfd s PRO 35 CO -0.04 0.06 0.00 -3.47 -0.33 0.00 0.00 177.00 173.22 2hfd n ASP 36 N 0.91 -2.64 0.00 2.53 -0.08 -1.26 -4.56 116.55 111.46 2hfd n ASP 36 Ca 0.00 0.36 0.00 0.00 -1.51 0.00 0.00 54.79 53.64 2hfd n ASP 36 Cb 0.45 -1.49 0.00 0.00 2.34 0.00 0.00 41.12 42.42 2hfd n ASP 36 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2hfd n GLY 37 N -2.97 0.80 3.05 0.27 0.00 -1.26 -3.06 105.19 102.02 2hfd n GLY 37 Ca -0.02 -2.02 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.72 0.37 -0.07 1.61 -7.23 0.66 -3.90 120.40 110.11 2hfd s VAL 38 Ca 0.00 -1.23 0.04 0.00 -1.81 0.00 0.00 61.98 58.98 2hfd s VAL 38 Cb 0.00 -0.75 0.00 0.00 0.56 0.00 0.00 36.38 36.20 2hfd s VAL 38 CO 0.00 -0.57 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.35 2hfd s VAL 39 N -2.03 1.58 -0.13 1.32 1.01 0.20 -0.65 120.40 121.70 2hfd s VAL 39 Ca -0.07 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 2hfd s VAL 39 Cb -0.06 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 2hfd s VAL 39 CO -0.02 0.45 0.11 -0.76 0.00 0.00 0.00 175.10 174.88 2hfd s LEU 40 N 0.36 4.18 0.52 3.92 1.02 0.50 -0.09 118.68 129.09 2hfd s LEU 40 Ca -0.13 0.36 0.08 0.00 0.02 0.00 0.00 54.13 54.46 2hfd s LEU 40 Cb -0.15 -2.02 0.04 0.00 0.02 0.00 0.00 46.19 44.08 2hfd s LEU 40 CO 0.05 0.36 0.58 -0.76 0.02 0.00 0.00 176.35 176.61 2hfd s LEU 41 N -0.75 3.11 0.41 1.79 1.43 -0.99 -3.30 118.68 120.38 2hfd s LEU 41 Ca 0.13 -0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 52.23 2hfd s LEU 41 Cb -0.12 -1.72 -0.07 0.00 0.03 0.00 0.00 46.19 44.32 2hfd s LEU 41 CO 0.03 -1.08 0.79 -0.55 0.23 0.00 0.00 176.35 175.76 2hfd s SER 42 N -4.42 6.56 -0.15 2.29 0.15 -1.26 -4.45 113.70 112.41 2hfd s SER 42 Ca 0.51 1.19 -0.21 0.00 0.70 0.00 0.00 55.95 58.15 2hfd s SER 42 Cb -0.05 -2.35 -0.24 0.00 -1.71 0.00 0.00 66.02 61.67 2hfd s SER 42 CO 0.31 -0.40 0.47 0.28 1.20 0.00 0.00 173.24 175.11 2hfd h SER 43 N 1.33 0.16 -5.68 5.45 0.02 -1.95 -2.58 113.55 110.30 2hfd h SER 43 Ca -0.47 -0.76 -0.12 0.00 -0.84 0.00 0.00 61.79 59.60 2hfd h SER 43 Cb 1.19 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 63.68 2hfd h SER 43 CO 0.64 1.44 -0.74 -0.67 -1.14 0.00 0.00 176.83 176.36 2hfd n ASP 44 N -4.25 -7.20 -4.73 3.07 2.03 -1.26 -2.73 116.55 101.48 2hfd n ASP 44 Ca -0.24 0.35 -0.42 0.00 0.52 0.00 0.00 54.79 55.00 2hfd n ASP 44 Cb 0.73 -4.22 -0.03 0.00 -0.72 0.00 0.00 41.12 36.89 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 -2.52 4.36 -0.12 -0.67 0.02 -1.26 -4.88 135.00 129.94 2hfd s PRO 45 Ca 0.28 2.05 -0.10 0.00 0.02 0.00 0.00 61.00 63.25 2hfd s PRO 45 Cb -0.06 -3.22 -0.05 0.00 0.02 0.00 0.00 34.50 31.19 2hfd s PRO 45 CO 0.79 -0.32 -0.22 1.17 -0.33 0.00 0.00 177.00 178.09 2hfd n LYS 46 N 3.19 0.34 0.00 5.54 4.81 -1.26 -4.83 118.16 125.94 2hfd n LYS 46 Ca 0.08 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 2hfd n LYS 46 Cb 0.43 -1.09 0.00 0.00 0.02 0.00 0.00 35.03 34.39 2hfd n LYS 46 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2hfd n ARG 47 N -3.93 1.10 -2.62 1.64 1.74 -1.26 -5.04 116.66 108.29 2hfd n ARG 47 Ca -0.21 -0.16 -0.43 0.00 -0.77 0.00 0.00 57.85 56.29 2hfd n ARG 47 Cb 0.52 -0.56 -0.02 0.00 -1.02 0.00 0.00 32.46 31.38 2hfd n ARG 47 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2hfd s THR 48 N -0.20 4.43 -0.01 0.55 2.01 -1.26 -4.95 115.64 116.20 2hfd s THR 48 Ca 0.00 1.61 -0.00 0.00 0.31 0.00 0.00 61.69 63.61 2hfd s THR 48 Cb 0.00 -4.44 -0.00 0.00 0.01 0.00 0.00 72.50 68.07 2hfd s THR 48 CO 0.00 -0.58 -0.00 1.55 -0.69 0.00 0.00 174.62 174.89 2hfd h PRO 49 N 8.38 0.00 -4.09 4.92 0.14 -1.99 -3.43 132.00 135.92 2hfd h PRO 49 Ca -0.21 0.00 -0.77 0.00 0.14 0.00 0.00 66.00 65.16 2hfd h PRO 49 Cb 1.06 0.00 -0.23 0.00 0.14 0.00 0.00 31.00 31.97 2hfd h PRO 49 CO 1.05 0.00 0.90 0.39 0.14 0.00 0.00 178.00 180.48 2hfd n GLU 50 N -2.40 3.48 0.23 0.86 -0.58 -1.26 -4.78 120.64 116.19 2hfd n GLU 50 Ca -0.00 -4.17 0.10 0.00 -0.42 0.00 0.00 57.16 52.67 2hfd n GLU 50 Cb 0.01 -2.78 0.53 0.00 -0.57 0.00 0.00 31.44 28.63 2hfd n GLU 50 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2hfd h VAL 51 N 4.09 0.61 0.46 2.62 2.07 -2.00 -3.34 116.25 120.76 2hfd h VAL 51 Ca 0.25 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 2hfd h VAL 51 Cb 0.86 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 2hfd h VAL 51 CO 1.14 0.21 -0.28 0.77 0.02 0.00 0.00 177.57 179.43 2hfd h SER 52 N 0.00 -0.70 0.00 0.57 4.64 -1.98 -3.45 113.55 112.63 2hfd h SER 52 Ca -0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2hfd h SER 52 Cb 0.62 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2hfd h SER 52 CO 0.03 -0.43 0.00 -0.67 -0.87 0.00 0.00 176.83 174.89 2hfd n ASP 53 N -4.06 0.00 -3.46 4.97 2.03 -1.26 -4.19 116.55 110.59 2hfd n ASP 53 Ca -0.08 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.00 2hfd n ASP 53 Cb 0.28 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.57 2hfd n ASP 53 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2hfd s ASN 54 N -4.00 2.47 0.17 1.67 3.04 -1.26 -5.14 114.94 111.89 2hfd s ASN 54 Ca 0.00 -1.05 0.00 0.00 0.04 0.00 0.00 52.86 51.85 2hfd s ASN 54 Cb 0.00 0.13 0.00 0.00 -1.54 0.00 0.00 41.25 39.84 2hfd s ASN 54 CO 0.00 -0.40 0.00 -0.81 -3.04 0.00 0.00 177.10 172.85 2hfd n PRO 55 N 5.20 1.18 0.00 0.43 -0.04 -1.26 -4.68 135.00 135.83 2hfd n PRO 55 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2hfd n PRO 55 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 2hfd n PRO 55 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2hfd n VAL 56 N -0.95 0.00 0.17 0.52 0.31 -1.26 -4.71 118.33 112.41 2hfd n VAL 56 Ca 0.00 0.00 0.19 0.00 -0.01 0.00 0.00 64.34 64.52 2hfd n VAL 56 Cb 0.00 0.00 0.77 0.00 -0.91 0.00 0.00 33.84 33.70 2hfd n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hfd h MET 57 N 0.00 0.00 -0.91 5.55 -0.00 -2.01 -0.11 114.93 117.44 2hfd h MET 57 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.73 2hfd h MET 57 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 31.55 2hfd h MET 57 CO 0.00 0.00 0.60 0.82 -0.00 0.00 0.00 176.91 178.33 2hfd h ILE 58 N 0.00 1.17 -0.53 -0.10 5.03 -1.93 -1.53 117.51 119.62 2hfd h ILE 58 Ca 0.13 -0.40 -0.08 0.00 -0.12 0.00 0.00 64.86 64.39 2hfd h ILE 58 Cb 0.91 -0.10 -0.02 0.00 -3.03 0.00 0.00 36.82 34.59 2hfd h ILE 58 CO -0.00 0.21 -0.01 1.23 -0.68 0.00 0.00 178.15 178.90 2hfd h GLY 59 N 1.16 0.98 2.00 5.37 0.00 -1.41 -2.44 103.07 108.73 2hfd h GLY 59 Ca 0.36 -0.69 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 2hfd h GLY 59 CO -0.10 0.63 -0.54 0.83 0.00 0.00 0.00 176.54 177.36 2hfd h GLU 60 N 0.84 0.00 -0.58 4.80 4.39 -1.55 -2.86 114.58 119.62 2hfd h GLU 60 Ca 0.16 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 2hfd h GLU 60 Cb 0.51 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 2hfd h GLU 60 CO 0.03 0.54 0.33 1.25 -1.16 0.00 0.00 179.01 180.00 2hfd h LEU 61 N 0.00 0.72 -1.73 1.33 5.85 -0.83 -2.23 115.31 118.42 2hfd h LEU 61 Ca -0.01 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 2hfd h LEU 61 Cb 1.06 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 2hfd h LEU 61 CO 0.07 0.59 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.52 2hfd h LEU 62 N 0.79 0.00 -1.69 2.25 4.07 -1.26 -2.29 115.31 117.18 2hfd h LEU 62 Ca 0.21 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.17 2hfd h LEU 62 Cb 0.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.76 2hfd h LEU 62 CO -0.04 0.17 0.00 0.03 -1.08 0.00 0.00 178.44 177.53 2hfd h ARG 63 N 0.00 0.00 -0.23 1.13 2.47 -1.19 -1.80 114.38 114.76 2hfd h ARG 63 Ca -0.00 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.57 2hfd h ARG 63 Cb 0.37 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 2hfd h ARG 63 CO 0.02 0.00 -0.45 0.93 0.56 0.00 0.00 179.97 181.03 2hfd h GLU 64 N 0.00 0.60 -2.17 0.04 4.39 -1.45 -3.39 114.58 112.60 2hfd h GLU 64 Ca 0.00 -0.33 -0.55 0.00 0.34 0.00 0.00 59.36 58.82 2hfd h GLU 64 Cb 0.19 0.02 -0.37 0.00 -0.10 0.00 0.00 28.75 28.50 2hfd h GLU 64 CO 0.00 0.93 -0.97 0.34 -1.16 0.00 0.00 179.01 178.15 2hfd n PHE 65 N -4.01 -1.04 0.49 4.33 7.35 -0.70 -4.96 117.46 118.93 2hfd n PHE 65 Ca -0.02 -3.22 0.03 0.00 -0.76 0.00 0.00 57.45 53.49 2hfd n PHE 65 Cb 0.55 0.23 0.15 0.00 0.35 0.00 0.00 39.48 40.77 2hfd n PHE 65 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2hfd n PRO 66 N 2.53 2.30 0.25 -7.13 -0.04 -1.10 -4.30 135.00 127.51 2hfd n PRO 66 Ca 0.27 -1.21 0.11 0.00 -0.04 0.00 0.00 63.50 62.63 2hfd n PRO 66 Cb 0.50 -1.63 0.67 0.00 -0.04 0.00 0.00 33.50 33.00 2hfd n PRO 66 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2hfd h ASP 67 N 1.66 0.00 -1.81 3.54 3.58 -1.93 -3.43 116.42 118.03 2hfd h ASP 67 Ca 0.00 0.00 -0.59 0.00 0.42 0.00 0.00 57.03 56.86 2hfd h ASP 67 Cb 0.88 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 41.82 2hfd h ASP 67 CO 0.14 0.14 -0.59 -0.31 -2.88 0.00 0.00 179.24 175.73 2hfd s TYR 68 N -4.24 2.54 -0.56 0.28 2.02 -1.26 -5.08 117.35 111.05 2hfd s TYR 68 Ca -0.03 -0.52 -0.25 0.00 -0.37 0.00 0.00 57.07 55.91 2hfd s TYR 68 Cb 0.13 -1.63 0.04 0.00 -0.40 0.00 0.00 41.96 40.11 2hfd s TYR 68 CO 0.61 0.42 0.99 0.95 -1.57 0.00 0.00 175.55 176.95 2hfd s THR 69 N -2.58 4.32 -0.56 -0.71 -4.23 -1.26 -4.99 115.64 105.62 2hfd s THR 69 Ca 0.36 0.35 -0.21 0.00 -1.18 0.00 0.00 61.69 61.01 2hfd s THR 69 Cb 0.03 -4.58 0.06 0.00 1.34 0.00 0.00 72.50 69.35 2hfd s THR 69 CO 0.19 -1.18 0.77 0.26 -0.54 0.00 0.00 174.62 174.13 2hfd s TRP 70 N 4.14 2.91 -0.21 3.99 0.52 -1.26 -4.08 118.94 124.95 2hfd s TRP 70 Ca 0.32 -0.50 -0.22 0.00 0.02 0.00 0.00 56.10 55.72 2hfd s TRP 70 Cb -0.12 -3.88 -0.02 0.00 -1.15 0.00 0.00 33.47 28.30 2hfd s TRP 70 CO 0.20 -1.26 0.68 -0.65 0.02 0.00 0.00 176.95 175.93 2hfd s GLN 71 N 3.19 4.19 -0.45 4.98 1.11 -1.17 -4.89 119.66 126.62 2hfd s GLN 71 Ca 0.19 0.69 -0.17 0.00 0.01 0.00 0.00 55.36 56.08 2hfd s GLN 71 Cb -0.18 -3.60 0.05 0.00 -1.01 0.00 0.00 33.01 28.26 2hfd s GLN 71 CO 0.12 -0.33 0.44 0.08 0.01 0.00 0.00 175.29 175.61 2hfd s VAL 72 N 2.20 5.13 -0.20 1.09 1.01 -1.26 -0.25 120.40 128.12 2hfd s VAL 72 Ca 0.30 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 2hfd s VAL 72 Cb -0.16 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 2hfd s VAL 72 CO 0.10 -0.54 0.01 0.00 0.00 0.00 0.00 175.10 174.67 2hfd s ALA 73 N 1.98 3.06 0.00 5.51 0.00 0.17 -4.08 121.76 128.40 2hfd s ALA 73 Ca 0.09 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.09 2hfd s ALA 73 Cb -0.20 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 2hfd s ALA 73 CO 0.10 -0.15 -0.06 0.96 0.00 0.00 0.00 175.76 176.62 2hfd s ILE 74 N 1.00 3.73 0.16 0.00 -4.36 -1.16 -0.37 121.20 120.20 2hfd s ILE 74 Ca 0.02 -0.75 0.09 0.00 -0.26 0.00 0.00 60.65 59.75 2hfd s ILE 74 Cb -0.14 -2.63 -0.04 0.00 1.25 0.00 0.00 42.46 40.89 2hfd s ILE 74 CO 0.02 0.39 -0.13 0.00 0.24 0.00 0.00 174.94 175.45 2hfd s ALA 75 N -1.02 2.84 1.14 2.27 0.00 -1.21 0.21 121.76 125.99 2hfd s ALA 75 Ca 0.18 -1.45 -0.13 0.00 0.00 0.00 0.00 51.96 50.56 2hfd s ALA 75 Cb -0.11 -0.68 0.27 0.00 0.00 0.00 0.00 23.12 22.60 2hfd s ALA 75 CO 0.08 0.50 1.04 -0.51 0.00 0.00 0.00 175.76 176.87 2hfd s ASP 76 N -2.62 1.18 0.14 0.00 1.11 -1.26 -4.60 116.67 110.62 2hfd s ASP 76 Ca 0.23 1.52 -0.18 0.00 0.18 0.00 0.00 52.55 54.29 2hfd s ASP 76 Cb -0.09 -2.28 0.01 0.00 1.07 0.00 0.00 42.92 41.64 2hfd s ASP 76 CO 0.13 -4.08 1.72 -0.07 1.18 0.00 0.00 175.17 174.06 2hfd h LEU 77 N -2.54 -0.08 -1.01 1.23 3.38 -2.00 0.12 115.31 114.43 2hfd h LEU 77 Ca -0.60 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.34 2hfd h LEU 77 Cb 1.33 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 2hfd h LEU 77 CO 0.51 -0.01 -0.20 -0.33 0.09 0.00 0.00 178.44 178.50 2hfd h GLU 78 N 0.10 0.48 -0.00 1.13 5.08 -2.01 -3.08 114.58 116.28 2hfd h GLU 78 Ca 0.13 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2hfd h GLU 78 Cb 0.16 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2hfd h GLU 78 CO -0.20 0.66 -0.18 1.96 -1.00 0.00 0.00 179.01 180.24 2hfd h GLN 79 N 0.43 0.13 -0.57 2.33 1.08 -1.69 -3.08 115.11 113.75 2hfd h GLN 79 Ca 0.07 -0.14 -0.07 0.00 -1.45 0.00 0.00 58.65 57.06 2hfd h GLN 79 Cb 0.59 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.04 2hfd h GLN 79 CO 0.04 0.88 0.07 0.66 -0.95 0.00 0.00 178.83 179.52 2hfd h SER 80 N -0.56 0.93 -0.58 1.46 4.64 -0.85 0.19 113.55 118.79 2hfd h SER 80 Ca -0.02 -0.27 0.04 0.00 -0.47 0.00 0.00 61.79 61.06 2hfd h SER 80 Cb 0.94 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.74 2hfd h SER 80 CO 0.04 0.97 0.33 -0.33 -0.87 0.00 0.00 176.83 176.97 2hfd h GLU 81 N 0.85 0.63 -0.35 4.77 4.39 -1.64 0.57 114.58 123.80 2hfd h GLU 81 Ca 0.17 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.70 2hfd h GLU 81 Cb 0.45 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2hfd h GLU 81 CO 0.02 0.42 -0.29 0.00 -1.16 0.00 0.00 179.01 177.99 2hfd h ALA 82 N 1.27 0.51 -0.45 3.43 0.00 -1.35 0.79 119.26 123.47 2hfd h ALA 82 Ca 0.24 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2hfd h ALA 82 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2hfd h ALA 82 CO -0.13 0.54 0.27 0.82 0.00 0.00 0.00 179.25 180.75 2hfd h ILE 83 N 0.60 1.14 -0.24 0.00 2.04 -0.61 0.67 117.51 121.11 2hfd h ILE 83 Ca 0.06 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 2hfd h ILE 83 Cb 0.87 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2hfd h ILE 83 CO 0.08 0.14 -0.08 1.23 0.00 0.00 0.00 178.15 179.52 2hfd h GLY 84 N 0.59 0.52 1.24 5.37 0.00 -0.80 -3.19 103.07 106.80 2hfd h GLY 84 Ca 0.16 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 2hfd h GLY 84 CO -0.03 0.41 0.17 -1.80 0.00 0.00 0.00 176.54 175.29 2hfd h ASP 85 N 0.21 0.89 -0.01 0.19 3.58 -0.67 0.35 116.42 120.97 2hfd h ASP 85 Ca 0.06 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.35 2hfd h ASP 85 Cb 0.56 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.38 2hfd h ASP 85 CO 0.03 0.85 0.01 -0.09 -2.88 0.00 0.00 179.24 177.16 2hfd h ARG 86 N 0.92 0.00 0.00 0.28 2.43 -0.86 -3.13 114.38 114.02 2hfd h ARG 86 Ca 0.20 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 59.02 2hfd h ARG 86 Cb 0.29 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.79 2hfd h ARG 86 CO -0.00 0.00 -2.23 0.34 -1.51 0.00 0.00 179.97 176.57 2hfd n PHE 87 N -4.23 0.00 0.00 2.20 7.35 -0.95 -5.05 117.46 116.78 2hfd n PHE 87 Ca -0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 2hfd n PHE 87 Cb 0.10 -0.81 0.00 0.00 0.35 0.00 0.00 39.48 39.12 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 2.03 0.98 3.85 7.13 0.00 0.11 -5.13 105.19 114.16 2hfd n GLY 88 Ca -0.41 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 2hfd n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hfd s VAL 89 N -1.09 4.74 0.91 1.61 1.01 -0.35 -5.02 120.40 122.22 2hfd s VAL 89 Ca 0.00 -1.06 -0.14 0.00 0.00 0.00 0.00 61.98 60.79 2hfd s VAL 89 Cb 0.00 -3.48 0.15 0.00 0.00 0.00 0.00 36.38 33.05 2hfd s VAL 89 CO 0.00 -0.18 1.20 -0.36 0.00 0.00 0.00 175.10 175.75 2hfd s PHE 90 N -1.86 2.27 0.00 5.22 0.08 -1.26 -4.61 117.98 117.82 2hfd s PHE 90 Ca 0.32 0.66 0.00 0.00 0.12 0.00 0.00 56.93 58.03 2hfd s PHE 90 Cb -0.10 -3.61 0.00 0.00 -0.57 0.00 0.00 43.02 38.74 2hfd s PHE 90 CO 0.25 -2.36 0.00 0.54 -0.10 0.00 0.00 175.22 173.55 2hfd n ARG 91 N -3.70 2.65 -0.45 0.44 1.74 -1.26 -5.01 116.66 111.07 2hfd n ARG 91 Ca 0.10 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.23 2hfd n ARG 91 Cb 0.60 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 32.01 2hfd n ARG 91 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2hfd n PHE 92 N -0.11 -1.19 -1.68 -1.55 3.72 -0.97 -4.82 117.46 110.86 2hfd n PHE 92 Ca 0.00 0.64 -0.43 0.00 -0.05 0.00 0.00 57.45 57.61 2hfd n PHE 92 Cb 0.00 -1.08 -0.03 0.00 -0.94 0.00 0.00 39.48 37.43 2hfd n PHE 92 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2hfd n PRO 93 N -2.93 2.80 -3.60 -1.08 -0.04 -1.26 -4.46 135.00 124.43 2hfd n PRO 93 Ca -0.02 1.02 -0.14 0.00 -0.04 0.00 0.00 63.50 64.32 2hfd n PRO 93 Cb 0.21 -2.93 -0.07 0.00 -0.04 0.00 0.00 33.50 30.67 2hfd n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hfd s ALA 94 N 3.34 -1.82 -0.30 0.55 0.00 -1.26 -4.53 121.76 117.75 2hfd s ALA 94 Ca 0.85 1.81 -0.05 0.00 0.00 0.00 0.00 51.96 54.56 2hfd s ALA 94 Cb -0.47 -0.90 0.02 0.00 0.00 0.00 0.00 23.12 21.77 2hfd s ALA 94 CO 0.39 -0.33 0.05 0.99 0.00 0.00 0.00 175.76 176.86 2hfd s THR 95 N -0.12 3.58 -0.04 0.00 2.01 0.28 -2.35 115.64 119.01 2hfd s THR 95 Ca -0.02 -0.94 -0.15 0.00 0.31 0.00 0.00 61.69 60.89 2hfd s THR 95 Cb -0.04 -2.91 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 2hfd s THR 95 CO 0.02 0.03 0.40 -0.76 -0.69 0.00 0.00 174.62 173.62 2hfd s LEU 96 N 1.41 4.42 -0.09 4.42 1.02 0.87 0.31 118.68 131.04 2hfd s LEU 96 Ca 0.00 0.89 0.04 0.00 0.02 0.00 0.00 54.13 55.08 2hfd s LEU 96 Cb -0.18 -2.58 0.00 0.00 0.02 0.00 0.00 46.19 43.46 2hfd s LEU 96 CO 0.01 0.25 -0.21 0.54 0.02 0.00 0.00 176.35 176.96 2hfd s VAL 97 N -0.63 1.81 -0.21 -1.59 0.11 -1.07 -0.63 120.40 118.19 2hfd s VAL 97 Ca 0.23 -0.87 -0.02 0.00 -2.93 0.00 0.00 61.98 58.39 2hfd s VAL 97 Cb -0.16 -1.58 0.01 0.00 -1.53 0.00 0.00 36.38 33.12 2hfd s VAL 97 CO 0.12 0.50 -0.10 -0.36 -3.33 0.00 0.00 175.10 171.93 2hfd s PHE 98 N 0.42 2.91 -0.20 1.54 0.08 -1.25 -1.84 117.98 119.63 2hfd s PHE 98 Ca -0.18 -1.28 -0.09 0.00 0.12 0.00 0.00 56.93 55.50 2hfd s PHE 98 Cb -0.17 -2.03 0.08 0.00 -0.57 0.00 0.00 43.02 40.32 2hfd s PHE 98 CO 0.07 -0.67 0.46 0.95 -0.10 0.00 0.00 175.22 175.93 2hfd s THR 99 N 1.39 -0.31 0.00 0.64 -4.23 -0.76 -4.52 115.64 107.85 2hfd s THR 99 Ca 0.05 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.66 2hfd s THR 99 Cb -0.14 -0.70 0.00 0.00 1.34 0.00 0.00 72.50 73.00 2hfd s THR 99 CO -0.07 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 2hfd n GLY 100 N 4.76 1.40 2.29 3.99 0.00 -1.26 -4.14 105.19 112.22 2hfd n GLY 100 Ca -0.17 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 3.66 7.00 -0.02 0.00 -1.26 -5.12 105.19 109.45 2hfd n GLY 101 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.16 2hfd n GLY 101 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2hfd n ASN 102 N 0.68 -0.78 -4.44 1.61 2.85 -1.26 -4.64 115.26 109.28 2hfd n ASN 102 Ca 0.25 0.00 -0.50 0.00 -0.11 0.00 0.00 54.58 54.22 2hfd n ASN 102 Cb 0.56 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.51 2hfd n ASN 102 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2hfd n TYR 103 N 0.00 1.49 0.04 1.20 9.36 -1.26 -1.82 117.16 126.16 2hfd n TYR 103 Ca 0.00 0.30 -0.20 0.00 3.32 0.00 0.00 57.90 61.32 2hfd n TYR 103 Cb 0.00 -2.52 -0.14 0.00 -0.63 0.00 0.00 39.34 36.05 2hfd n TYR 103 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2hfd h ARG 104 N 12.68 0.29 0.00 2.98 2.47 -1.63 -3.48 114.38 127.69 2hfd h ARG 104 Ca -0.24 -0.49 0.00 0.00 -1.26 0.00 0.00 59.98 57.98 2hfd h ARG 104 Cb 1.32 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.83 2hfd h ARG 104 CO 1.06 1.18 0.00 0.41 0.56 0.00 0.00 179.97 183.18 2hfd n GLY 105 N 1.87 -1.19 2.94 0.04 0.00 -1.25 -4.91 105.19 102.69 2hfd n GLY 105 Ca -0.26 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.00 0.32 -0.46 1.61 0.11 -1.26 -2.60 120.40 115.11 2hfd s VAL 106 Ca 0.00 -0.23 -0.18 0.00 -2.93 0.00 0.00 61.98 58.65 2hfd s VAL 106 Cb 0.00 -0.29 0.05 0.00 -1.53 0.00 0.00 36.38 34.61 2hfd s VAL 106 CO 0.00 0.05 0.50 -0.76 -3.33 0.00 0.00 175.10 171.56 2hfd s LEU 107 N -0.19 5.08 0.26 2.54 1.43 0.15 -4.91 118.68 123.04 2hfd s LEU 107 Ca 0.01 -0.92 -0.08 0.00 -1.03 0.00 0.00 54.13 52.11 2hfd s LEU 107 Cb -0.02 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 2hfd s LEU 107 CO -0.00 -0.71 0.41 0.54 0.23 0.00 0.00 176.35 176.81 2hfd s ASN 108 N 2.32 0.17 0.00 2.29 4.22 -1.26 -0.55 114.94 122.13 2hfd s ASN 108 Ca 0.11 -1.14 0.00 0.00 -2.14 0.00 0.00 52.86 49.69 2hfd s ASN 108 Cb -0.20 0.56 0.00 0.00 1.28 0.00 0.00 41.25 42.90 2hfd s ASN 108 CO 0.11 -1.11 0.00 0.61 -2.04 0.00 0.00 177.10 174.67 2hfd n GLY 109 N -0.40 -0.70 3.56 0.45 0.00 -1.26 -4.82 105.19 102.03 2hfd n GLY 109 Ca -0.00 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.14 2hfd n GLY 109 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hfd s ILE 110 N -3.06 3.51 -0.01 -0.61 -1.09 -1.26 -4.95 121.20 113.72 2hfd s ILE 110 Ca 0.00 0.37 0.02 0.00 -2.23 0.00 0.00 60.65 58.81 2hfd s ILE 110 Cb 0.00 -4.10 -0.00 0.00 -1.58 0.00 0.00 42.46 36.77 2hfd s ILE 110 CO 0.00 -0.99 -0.07 -1.00 -1.23 0.00 0.00 174.94 171.65 2hfd s HIS 111 N 7.77 0.66 1.15 3.97 3.76 -1.26 -5.15 115.29 126.19 2hfd s HIS 111 Ca 0.62 -0.13 -0.18 0.00 -0.15 0.00 0.00 55.06 55.23 2hfd s HIS 111 Cb -0.13 -0.43 0.26 0.00 1.11 0.00 0.00 32.58 33.39 2hfd s HIS 111 CO 0.23 -0.02 1.11 -1.25 -0.85 0.00 0.00 174.74 173.97 2hfd s PRO 112 N -0.14 -0.81 0.18 8.40 0.04 -1.26 -4.68 135.00 136.72 2hfd s PRO 112 Ca 0.02 0.04 -0.14 0.00 0.04 0.00 0.00 61.00 60.97 2hfd s PRO 112 Cb -0.03 -1.64 0.11 0.00 0.04 0.00 0.00 34.50 32.98 2hfd s PRO 112 CO -0.00 -3.46 1.81 2.35 0.04 0.00 0.00 177.00 177.74 2hfd h TRP 113 N -2.40 0.54 -0.82 0.56 -0.00 -2.01 0.97 115.95 112.79 2hfd h TRP 113 Ca -0.47 0.02 0.03 0.00 -0.00 0.00 0.00 58.89 58.47 2hfd h TRP 113 Cb 1.30 -0.17 -0.05 0.00 -0.00 0.00 0.00 29.16 30.24 2hfd h TRP 113 CO -1.55 0.30 0.53 0.00 -0.00 0.00 0.00 178.44 177.72 2hfd h ALA 114 N 1.24 1.08 -0.06 2.65 0.00 -2.00 -0.56 119.26 121.61 2hfd h ALA 114 Ca 0.21 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 2hfd h ALA 114 Cb 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2hfd h ALA 114 CO -0.11 0.36 -0.66 1.49 0.00 0.00 0.00 179.25 180.33 2hfd h GLU 115 N 1.03 0.26 -0.37 0.00 4.57 -1.74 -1.59 114.58 116.74 2hfd h GLU 115 Ca 0.33 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 58.29 2hfd h GLU 115 Cb 0.00 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 2hfd h GLU 115 CO -0.11 0.83 0.16 1.25 -1.18 0.00 0.00 179.01 179.95 2hfd h LEU 116 N 0.18 0.51 -0.52 1.64 7.12 -0.04 0.53 115.31 124.73 2hfd h LEU 116 Ca -0.01 -0.16 -0.03 0.00 0.13 0.00 0.00 57.88 57.81 2hfd h LEU 116 Cb 1.19 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 41.17 2hfd h LEU 116 CO 0.10 0.52 0.22 0.40 -0.13 0.00 0.00 178.44 179.56 2hfd h ILE 117 N 0.46 1.21 0.34 4.05 2.04 -1.06 -1.43 117.51 123.10 2hfd h ILE 117 Ca 0.12 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.36 2hfd h ILE 117 Cb 0.17 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2hfd h ILE 117 CO -0.01 0.24 -0.44 -1.13 0.00 0.00 0.00 178.15 176.81 2hfd h ASN 118 N 0.69 -1.23 -0.35 1.72 -1.24 -0.88 0.11 115.58 114.40 2hfd h ASN 118 Ca 0.17 0.11 0.04 0.00 0.71 0.00 0.00 56.30 57.33 2hfd h ASN 118 Cb 0.17 0.43 -0.04 0.00 0.73 0.00 0.00 38.32 39.61 2hfd h ASN 118 CO -0.02 -0.56 0.14 -0.07 -1.29 0.00 0.00 177.43 175.63 2hfd h LEU 119 N -0.82 0.18 -0.86 0.34 3.38 -0.88 -0.88 115.31 115.77 2hfd h LEU 119 Ca -0.02 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2hfd h LEU 119 Cb 0.76 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 2hfd h LEU 119 CO -0.13 0.14 0.56 -0.03 0.09 0.00 0.00 178.44 179.08 2hfd h MET 120 N 0.30 1.09 -0.75 1.13 4.05 -1.00 -0.84 114.93 118.92 2hfd h MET 120 Ca 0.16 -0.07 -0.05 0.00 -0.28 0.00 0.00 59.70 59.47 2hfd h MET 120 Cb 0.11 -0.25 -0.03 0.00 -0.80 0.00 0.00 31.60 30.63 2hfd h MET 120 CO -0.14 0.72 0.29 -0.09 0.23 0.00 0.00 176.91 177.92 2hfd h ARG 121 N 1.12 1.13 -0.03 0.39 2.43 -0.30 0.15 114.38 119.27 2hfd h ARG 121 Ca 0.33 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2hfd h ARG 121 Cb -0.08 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.28 2hfd h ARG 121 CO -0.09 0.93 -0.24 0.78 -1.51 0.00 0.00 179.97 179.84 2hfd h GLY 122 N 1.09 0.05 0.00 2.80 0.00 -0.35 -0.17 103.07 106.49 2hfd h GLY 122 Ca 0.25 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 2hfd h GLY 122 CO -0.02 0.03 -0.13 1.41 0.00 0.00 0.00 176.54 177.83 2hfd h LEU 123 N 0.04 0.00 -0.54 3.11 3.38 -0.47 -3.37 115.31 117.47 2hfd h LEU 123 Ca 0.01 -0.86 -0.16 0.00 0.09 0.00 0.00 57.88 56.96 2hfd h LEU 123 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2hfd h LEU 123 CO 0.03 1.00 -0.52 -0.37 0.09 0.00 0.00 178.44 178.68 2hfd h VAL 124 N -1.00 1.31 -5.95 1.22 -1.51 -0.74 -3.46 116.25 106.12 2hfd h VAL 124 Ca -0.03 -1.75 -0.01 0.00 -1.23 0.00 0.00 66.70 63.67 2hfd h VAL 124 Cb 0.94 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.82 2hfd h VAL 124 CO -0.02 0.55 -1.00 1.21 -1.23 0.00 0.00 177.57 177.08 2hfd n GLU 125 N -3.97 -1.44 -2.12 5.19 2.13 -0.08 -4.99 120.64 115.37 2hfd n GLU 125 Ca -0.03 1.49 -0.27 0.00 0.66 0.00 0.00 57.16 59.01 2hfd n GLU 125 Cb 0.59 -2.57 0.07 0.00 0.27 0.00 0.00 31.44 29.80 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 -1.29 2.18 0.00 5.31 0.04 -1.26 -4.98 135.00 135.00 2hfd s PRO 126 Ca 0.02 -0.12 0.24 0.00 0.04 0.00 0.00 61.00 61.17 2hfd s PRO 126 Cb -0.00 -2.11 0.29 0.00 0.04 0.00 0.00 34.50 32.72 2hfd s PRO 126 CO 0.31 -1.31 1.28 0.94 0.04 0.00 0.00 177.00 178.25 2hfd n GLN 127 N -3.02 1.13 -2.45 4.56 7.27 -1.26 -5.00 117.38 118.61 2hfd n GLN 127 Ca 0.08 -0.86 -0.01 0.00 0.07 0.00 0.00 57.00 56.28 2hfd n GLN 127 Cb 0.60 -1.48 0.00 0.00 2.41 0.00 0.00 30.24 31.77 2hfd n GLN 127 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2hfd n GLN 128 N -0.18 -1.03 -2.83 3.69 7.27 -1.26 -4.95 117.38 118.08 2hfd n GLN 128 Ca 0.11 1.25 -0.43 0.00 0.07 0.00 0.00 57.00 57.99 2hfd n GLN 128 Cb 0.43 -4.19 -0.02 0.00 2.41 0.00 0.00 30.24 28.87 2hfd n GLN 128 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2hfd s GLU 129 N -2.72 3.66 0.00 3.69 8.01 -1.26 -4.99 118.70 125.10 2hfd s GLU 129 Ca 0.05 -1.70 0.00 0.00 0.01 0.00 0.00 54.97 53.32 2hfd s GLU 129 Cb -0.01 -5.05 0.00 0.00 -4.31 0.00 0.00 34.13 24.75 2hfd s GLU 129 CO 0.48 -1.89 0.00 0.54 0.01 0.00 0.00 175.26 174.40 2hfd n ARG 130 N 7.06 2.31 -0.74 1.61 1.74 -1.26 -4.96 116.66 122.41 2hfd n ARG 130 Ca 0.28 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.30 2hfd n ARG 130 Cb 0.49 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.87 2hfd n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2hfd n ALA 131 N -3.00 5.03 1.75 7.54 0.00 -1.26 -5.30 120.51 125.27 2hfd n ALA 131 Ca 0.00 -0.89 0.14 0.00 0.00 0.00 0.00 53.44 52.69 2hfd n ALA 131 Cb 0.00 -1.54 0.83 0.00 0.00 0.00 0.00 19.45 18.74 2hfd n ALA 131 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93