#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 -4.76 7.83 2.88 -1.26 -4.72 113.62 113.59 2hfd n SER 2 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 2hfd n SER 2 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2hfd n SER 2 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2hfd s ASN 3 N -4.00 7.05 -0.21 -3.46 2.47 -1.26 -5.02 114.94 110.51 2hfd s ASN 3 Ca 0.00 1.26 -0.28 0.00 0.42 0.00 0.00 52.86 54.26 2hfd s ASN 3 Cb 0.00 -2.40 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 2hfd s ASN 3 CO 0.00 0.09 0.98 1.51 -3.72 0.00 0.00 177.10 175.96 2hfd s ASP 4 N -0.23 7.06 0.39 -4.21 -4.77 -1.26 -4.74 116.67 108.91 2hfd s ASP 4 Ca 0.33 1.32 0.00 0.00 -3.30 0.00 0.00 52.55 50.90 2hfd s ASP 4 Cb -0.19 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.12 2hfd s ASP 4 CO 0.19 -0.59 0.00 0.41 0.70 0.00 0.00 175.17 175.88 2hfd n THR 5 N 5.15 0.00 0.01 2.11 -1.04 -1.26 -4.96 114.28 114.30 2hfd n THR 5 Ca 0.10 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.10 2hfd n THR 5 Cb 0.47 -0.06 -0.00 0.00 -1.82 0.00 0.00 70.33 68.92 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 -0.06 -0.52 -2.82 0.11 -1.99 -2.38 132.00 124.33 2hfd h PRO 6 Ca 0.00 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.13 2hfd h PRO 6 Cb 0.00 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.10 2hfd h PRO 6 CO 0.00 -0.04 0.35 0.35 -0.21 0.00 0.00 178.00 178.45 2hfd h PHE 7 N -0.30 0.64 -0.01 0.65 3.57 -1.95 -1.41 116.94 118.13 2hfd h PHE 7 Ca -0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2hfd h PHE 7 Cb 0.05 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 2hfd h PHE 7 CO 0.03 0.40 0.01 0.22 -2.23 0.00 0.00 178.31 176.73 2hfd h ASP 8 N 0.68 0.01 -0.12 0.41 3.58 -1.93 0.35 116.42 119.40 2hfd h ASP 8 Ca 0.20 -0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.56 2hfd h ASP 8 Cb -0.04 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 2hfd h ASP 8 CO -0.05 0.03 -0.12 0.00 -2.88 0.00 0.00 179.24 176.22 2hfd h ALA 9 N 0.98 1.27 -0.40 -0.78 0.00 -1.03 0.22 119.26 119.52 2hfd h ALA 9 Ca 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2hfd h ALA 9 Cb 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2hfd h ALA 9 CO -0.00 0.48 0.02 -0.07 0.00 0.00 0.00 179.25 179.68 2hfd h LEU 10 N 0.44 0.68 -0.71 0.00 -0.00 -0.78 -2.58 115.31 112.36 2hfd h LEU 10 Ca 0.08 -0.29 -0.10 0.00 -0.00 0.00 0.00 57.88 57.56 2hfd h LEU 10 Cb 0.48 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.94 2hfd h LEU 10 CO 0.03 0.80 -0.13 -0.25 -0.00 0.00 0.00 178.44 178.89 2hfd h TRP 11 N 0.53 0.95 -0.30 1.13 7.01 0.14 -2.40 115.95 123.02 2hfd h TRP 11 Ca 0.12 -0.19 -0.03 0.00 2.11 0.00 0.00 58.89 60.90 2hfd h TRP 11 Cb 0.44 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 27.25 2hfd h TRP 11 CO 0.03 0.93 0.06 -0.56 -2.79 0.00 0.00 178.44 176.12 2hfd h GLN 12 N 0.77 0.44 0.31 2.65 -0.00 -0.49 0.44 115.11 119.22 2hfd h GLN 12 Ca 0.12 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.65 58.69 2hfd h GLN 12 Cb 0.65 -0.08 0.00 0.00 -0.00 0.00 0.00 27.48 28.05 2hfd h GLN 12 CO 0.05 0.42 -0.15 0.00 -0.00 0.00 0.00 178.83 179.15 2hfd h ARG 13 N 0.43 -0.40 -1.00 0.06 2.47 -1.08 0.42 114.38 115.29 2hfd h ARG 13 Ca 0.10 0.03 0.04 0.00 -1.26 0.00 0.00 59.98 58.89 2hfd h ARG 13 Cb 0.19 0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.54 2hfd h ARG 13 CO -0.00 -0.17 0.65 0.52 0.56 0.00 0.00 179.97 181.54 2hfd h MET 14 N -0.58 1.23 -0.17 0.04 2.86 -0.92 -2.52 114.93 114.89 2hfd h MET 14 Ca -0.04 -0.07 -0.15 0.00 -2.06 0.00 0.00 59.70 57.37 2hfd h MET 14 Cb 0.42 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 2hfd h MET 14 CO 0.07 0.81 -0.53 -0.07 1.06 0.00 0.00 176.91 178.25 2hfd h LEU 15 N 1.27 0.54 -2.11 1.22 3.38 -0.06 -2.90 115.31 116.65 2hfd h LEU 15 Ca 0.40 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2hfd h LEU 15 Cb -0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2hfd h LEU 15 CO -0.12 0.97 -0.04 0.00 0.09 0.00 0.00 178.44 179.33 2hfd h ALA 16 N 1.05 1.72 -0.03 1.53 0.00 -0.46 -0.54 119.26 122.52 2hfd h ALA 16 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2hfd h ALA 16 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2hfd h ALA 16 CO 0.10 0.05 0.00 0.54 0.00 0.00 0.00 179.25 179.94 2hfd n ARG 17 N -4.17 1.20 -0.22 0.00 1.74 -1.10 -4.87 116.66 109.24 2hfd n ARG 17 Ca -0.03 -0.30 0.00 0.00 -0.77 0.00 0.00 57.85 56.76 2hfd n ARG 17 Cb 0.12 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2hfd n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hfd n GLY 18 N 0.94 0.62 3.74 -0.13 0.00 -0.21 -5.04 105.19 105.12 2hfd n GLY 18 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.46 3.16 -0.14 1.61 0.51 -1.20 -5.00 118.94 115.42 2hfd s TRP 19 Ca 0.00 1.17 -0.02 0.00 -2.12 0.00 0.00 56.10 55.12 2hfd s TRP 19 Cb 0.00 -3.68 -0.02 0.00 -0.81 0.00 0.00 33.47 28.95 2hfd s TRP 19 CO 0.00 -2.15 -0.06 0.99 -0.51 0.00 0.00 176.95 175.21 2hfd s THR 20 N -0.02 3.66 0.54 2.01 2.01 -1.25 -4.50 115.64 118.08 2hfd s THR 20 Ca 0.57 -0.45 -0.17 0.00 0.31 0.00 0.00 61.69 61.95 2hfd s THR 20 Cb -0.39 -2.58 -0.06 0.00 0.01 0.00 0.00 72.50 69.48 2hfd s THR 20 CO 0.41 0.51 1.02 -2.84 -0.69 0.00 0.00 174.62 173.03 2hfd s PRO 21 N 0.26 3.67 0.02 4.92 0.02 -1.26 -2.27 135.00 140.36 2hfd s PRO 21 Ca -0.05 1.13 -0.12 0.00 0.02 0.00 0.00 61.00 61.98 2hfd s PRO 21 Cb -0.14 -2.09 0.01 0.00 0.02 0.00 0.00 34.50 32.30 2hfd s PRO 21 CO 0.04 -0.52 0.25 0.54 -0.33 0.00 0.00 177.00 176.98 2hfd s VAL 22 N -2.44 0.08 0.56 3.83 0.11 -0.74 -4.88 120.40 116.92 2hfd s VAL 22 Ca 0.62 -0.68 -0.11 0.00 -2.93 0.00 0.00 61.98 58.88 2hfd s VAL 22 Cb -0.13 -0.74 -0.05 0.00 -1.53 0.00 0.00 36.38 33.92 2hfd s VAL 22 CO 0.31 -0.37 0.96 -0.94 -3.33 0.00 0.00 175.10 171.73 2hfd s SER 23 N -1.72 6.33 0.12 3.54 1.04 -1.26 -4.69 113.70 117.06 2hfd s SER 23 Ca -0.09 1.34 -0.27 0.00 0.48 0.00 0.00 55.95 57.41 2hfd s SER 23 Cb -0.03 -2.43 -0.08 0.00 0.10 0.00 0.00 66.02 63.58 2hfd s SER 23 CO -0.00 -0.73 1.45 -0.08 0.98 0.00 0.00 173.24 174.86 2hfd h GLU 24 N 0.13 -0.20 0.00 4.02 4.22 -1.97 0.24 114.58 121.03 2hfd h GLU 24 Ca -0.45 0.01 -0.07 0.00 0.08 0.00 0.00 59.36 58.93 2hfd h GLU 24 Cb 1.19 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2hfd h GLU 24 CO 0.62 -0.13 -0.35 0.77 -2.18 0.00 0.00 179.01 177.74 2hfd h SER 25 N -0.20 0.00 1.23 1.04 0.02 -1.98 -2.36 113.55 111.30 2hfd h SER 25 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2hfd h SER 25 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2hfd h SER 25 CO -0.60 0.35 -0.51 -0.09 -1.14 0.00 0.00 176.83 174.84 2hfd h ARG 26 N 0.00 0.00 -0.66 3.45 2.43 -1.70 -3.11 114.38 114.79 2hfd h ARG 26 Ca -0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2hfd h ARG 26 Cb 0.64 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 2hfd h ARG 26 CO 0.05 0.00 0.10 1.25 -1.51 0.00 0.00 179.97 179.85 2hfd h LEU 27 N 0.00 1.04 -0.48 3.80 7.12 -0.43 0.20 115.31 126.57 2hfd h LEU 27 Ca 0.00 -0.25 -0.02 0.00 0.13 0.00 0.00 57.88 57.74 2hfd h LEU 27 Cb 0.87 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.70 2hfd h LEU 27 CO 0.00 1.04 0.21 -0.78 -0.13 0.00 0.00 178.44 178.78 2hfd h ASP 28 N 1.02 0.64 0.19 1.25 3.58 -1.51 0.62 116.42 122.21 2hfd h ASP 28 Ca 0.20 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2hfd h ASP 28 Cb 0.45 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 2hfd h ASP 28 CO 0.01 0.61 -0.16 -0.78 -2.88 0.00 0.00 179.24 176.05 2hfd h ASP 29 N 0.63 -0.40 -0.47 2.28 3.58 -1.44 -2.30 116.42 118.30 2hfd h ASP 29 Ca 0.16 0.03 0.09 0.00 0.42 0.00 0.00 57.03 57.74 2hfd h ASP 29 Cb 0.15 0.13 -0.09 0.00 1.72 0.00 0.00 39.33 41.25 2hfd h ASP 29 CO -0.02 -0.24 -0.11 -0.25 -2.88 0.00 0.00 179.24 175.75 2hfd h TRP 30 N -0.36 -0.23 -0.45 0.28 2.91 -0.37 0.61 115.95 118.34 2hfd h TRP 30 Ca -0.01 0.04 -0.02 0.00 1.13 0.00 0.00 58.89 60.04 2hfd h TRP 30 Cb 0.33 0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 29.13 2hfd h TRP 30 CO -0.12 -0.19 0.21 1.25 -1.03 0.00 0.00 178.44 178.56 2hfd h LEU 31 N 0.01 0.55 0.00 0.65 5.85 -0.60 0.31 115.31 122.09 2hfd h LEU 31 Ca 0.23 -0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.72 2hfd h LEU 31 Cb 0.35 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2hfd h LEU 31 CO -0.48 0.47 -1.39 0.00 -0.34 0.00 0.00 178.44 176.71 2hfd h THR 32 N 0.62 0.57 0.05 1.05 1.03 -0.83 -3.39 112.91 112.03 2hfd h THR 32 Ca 0.16 -2.11 -0.34 0.00 -0.01 0.00 0.00 66.41 64.11 2hfd h THR 32 Cb 0.07 2.11 -0.04 0.00 -1.07 0.00 0.00 68.15 69.22 2hfd h THR 32 CO -0.02 0.33 -2.00 0.00 -0.01 0.00 0.00 175.52 173.82 2hfd n GLN 33 N -2.93 0.69 -3.58 0.00 1.13 0.14 -4.91 117.38 107.92 2hfd n GLN 33 Ca -0.10 0.23 -0.37 0.00 -1.94 0.00 0.00 57.00 54.83 2hfd n GLN 33 Cb 0.86 -1.69 -0.07 0.00 0.11 0.00 0.00 30.24 29.45 2hfd n GLN 33 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2hfd s ALA 34 N -2.56 3.65 0.39 -1.58 0.00 0.11 -5.06 121.76 116.70 2hfd s ALA 34 Ca -0.16 -0.44 -0.28 0.00 0.00 0.00 0.00 51.96 51.08 2hfd s ALA 34 Cb 0.07 -2.33 -0.10 0.00 0.00 0.00 0.00 23.12 20.76 2hfd s ALA 34 CO 0.78 0.23 1.46 -2.14 0.00 0.00 0.00 175.76 176.08 2hfd s PRO 35 N 0.02 4.04 2.72 0.00 0.02 -1.26 -4.71 135.00 135.83 2hfd s PRO 35 Ca 0.17 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.71 2hfd s PRO 35 Cb -0.13 -2.91 0.00 0.00 0.02 0.00 0.00 34.50 31.47 2hfd s PRO 35 CO 0.05 -0.56 0.00 -3.47 -0.33 0.00 0.00 177.00 172.69 2hfd n ASP 36 N 0.35 -1.41 0.00 2.53 2.03 -1.26 -4.50 116.55 114.30 2hfd n ASP 36 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2hfd n ASP 36 Cb 0.40 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 2hfd n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2hfd n GLY 37 N 0.00 2.13 3.63 0.27 0.00 -1.24 -4.64 105.19 105.34 2hfd n GLY 37 Ca 0.00 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 3.94 -0.14 1.61 -7.23 -0.11 -2.76 120.40 115.70 2hfd s VAL 38 Ca 0.00 -0.50 0.01 0.00 -1.81 0.00 0.00 61.98 59.69 2hfd s VAL 38 Cb 0.00 -2.67 0.02 0.00 0.56 0.00 0.00 36.38 34.28 2hfd s VAL 38 CO 0.00 0.52 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.44 2hfd s VAL 39 N -0.92 1.79 -0.19 1.32 1.01 0.08 -0.63 120.40 122.87 2hfd s VAL 39 Ca 0.15 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 2hfd s VAL 39 Cb -0.11 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 2hfd s VAL 39 CO 0.05 0.50 0.15 -0.76 0.00 0.00 0.00 175.10 175.03 2hfd s LEU 40 N 1.12 4.22 0.87 3.92 1.02 -0.49 0.05 118.68 129.40 2hfd s LEU 40 Ca -0.01 0.28 -0.12 0.00 0.02 0.00 0.00 54.13 54.29 2hfd s LEU 40 Cb -0.14 -2.12 0.15 0.00 0.02 0.00 0.00 46.19 44.09 2hfd s LEU 40 CO -0.06 0.18 1.22 -0.76 0.02 0.00 0.00 176.35 176.94 2hfd s LEU 41 N 0.30 2.71 -0.06 1.79 1.43 -0.45 -2.37 118.68 122.03 2hfd s LEU 41 Ca 0.09 0.32 -0.29 0.00 -1.03 0.00 0.00 54.13 53.22 2hfd s LEU 41 Cb -0.11 -2.57 -0.06 0.00 0.03 0.00 0.00 46.19 43.47 2hfd s LEU 41 CO -0.01 -2.31 1.86 -0.94 0.23 0.00 0.00 176.35 175.18 2hfd s SER 42 N -4.76 6.36 -0.77 2.29 1.04 -1.25 -4.68 113.70 111.93 2hfd s SER 42 Ca 0.69 2.29 -0.25 0.00 0.48 0.00 0.00 55.95 59.15 2hfd s SER 42 Cb -0.06 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 2hfd s SER 42 CO 0.50 -1.17 1.91 -0.44 0.98 0.00 0.00 173.24 175.02 2hfd s SER 43 N 4.63 5.20 -0.04 7.02 0.01 -1.26 -4.62 113.70 124.63 2hfd s SER 43 Ca 0.83 -0.21 -0.28 0.00 1.31 0.00 0.00 55.95 57.60 2hfd s SER 43 Cb -0.36 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.29 2hfd s SER 43 CO 0.35 -2.58 0.89 -0.62 0.41 0.00 0.00 173.24 171.70 2hfd s ASP 44 N 8.08 7.23 0.52 2.44 -1.08 -1.26 -4.68 116.67 127.91 2hfd s ASP 44 Ca 0.69 1.49 0.29 0.00 -0.52 0.00 0.00 52.55 54.49 2hfd s ASP 44 Cb -0.09 -2.52 1.39 0.00 -1.46 0.00 0.00 42.92 40.24 2hfd s ASP 44 CO 0.09 -0.24 2.03 -0.65 0.52 0.00 0.00 175.17 176.92 2hfd h PRO 45 N 6.84 0.00 0.00 4.34 0.11 -1.92 -2.35 132.00 139.02 2hfd h PRO 45 Ca -0.40 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.33 2hfd h PRO 45 Cb 1.20 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 2hfd h PRO 45 CO 0.76 0.12 -2.28 1.17 -0.21 0.00 0.00 178.00 177.56 2hfd n LYS 46 N -3.48 0.55 0.23 1.05 3.00 -1.26 -4.52 118.16 113.72 2hfd n LYS 46 Ca -0.01 0.24 0.08 0.00 -0.00 0.00 0.00 58.31 58.62 2hfd n LYS 46 Cb 0.28 -1.42 0.57 0.00 0.00 0.00 0.00 35.03 34.45 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 -0.94 0.00 -5.47 1.64 3.08 -1.97 -3.41 114.38 107.32 2hfd h ARG 47 Ca -0.59 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 58.87 2hfd h ARG 47 Cb 1.51 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.45 2hfd h ARG 47 CO -0.36 0.21 -0.23 0.99 -1.07 0.00 0.00 179.97 179.51 2hfd s THR 48 N -4.23 5.23 0.09 2.04 2.01 -0.88 -4.91 115.64 114.99 2hfd s THR 48 Ca -0.03 0.68 0.33 0.00 0.31 0.00 0.00 61.69 62.98 2hfd s THR 48 Cb 0.14 -3.71 0.36 0.00 0.01 0.00 0.00 72.50 69.30 2hfd s THR 48 CO 0.65 0.30 1.99 -0.65 -0.69 0.00 0.00 174.62 176.22 2hfd h PRO 49 N 7.13 0.00 -1.54 4.92 0.11 -1.88 -3.39 132.00 137.34 2hfd h PRO 49 Ca -0.38 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.61 2hfd h PRO 49 Cb 1.16 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.01 2hfd h PRO 49 CO 0.73 0.00 -0.48 -2.00 -0.21 0.00 0.00 178.00 176.04 2hfd s GLU 50 N -3.70 0.44 -0.12 1.05 2.56 -1.26 -5.06 118.70 112.62 2hfd s GLU 50 Ca -0.00 0.34 -0.13 0.00 0.00 0.00 0.00 54.97 55.17 2hfd s GLU 50 Cb 0.10 -0.16 -0.05 0.00 2.00 0.00 0.00 34.13 36.02 2hfd s GLU 50 CO 0.45 -0.95 -0.27 0.28 -0.56 0.00 0.00 175.26 174.21 2hfd n VAL 51 N 5.37 1.43 1.64 3.70 0.31 -1.26 -4.75 118.33 124.77 2hfd n VAL 51 Ca 0.01 0.19 0.15 0.00 -0.01 0.00 0.00 64.34 64.67 2hfd n VAL 51 Cb 0.50 -2.15 0.73 0.00 -0.91 0.00 0.00 33.84 32.02 2hfd n VAL 51 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2hfd n SER 52 N -4.21 0.42 0.00 4.52 2.88 -1.26 -4.36 113.62 111.61 2hfd n SER 52 Ca -0.12 -0.84 0.00 0.00 -1.33 0.00 0.00 58.87 56.58 2hfd n SER 52 Cb 0.41 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 2hfd n SER 52 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2hfd n ASP 53 N -0.81 0.00 -3.64 -3.46 -0.08 -1.26 -4.95 116.55 102.35 2hfd n ASP 53 Ca 0.19 0.60 -0.07 0.00 -1.51 0.00 0.00 54.79 54.00 2hfd n ASP 53 Cb 0.23 -0.10 -0.07 0.00 2.34 0.00 0.00 41.12 43.52 2hfd n ASP 53 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2hfd s ASN 54 N -2.28 -0.33 -0.66 1.67 2.20 -1.26 -5.04 114.94 109.24 2hfd s ASN 54 Ca 0.00 0.63 -0.01 0.00 -0.94 0.00 0.00 52.86 52.54 2hfd s ASN 54 Cb 0.00 0.68 0.43 0.00 -2.00 0.00 0.00 41.25 40.35 2hfd s ASN 54 CO 0.00 -0.11 1.89 -0.81 -2.94 0.00 0.00 177.10 175.14 2hfd n PRO 55 N 2.14 2.85 0.12 3.55 -0.04 -1.26 -4.64 135.00 137.71 2hfd n PRO 55 Ca -0.12 -3.50 0.06 0.00 -0.04 0.00 0.00 63.50 59.89 2hfd n PRO 55 Cb 0.56 -2.28 0.02 0.00 -0.04 0.00 0.00 33.50 31.76 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 1.44 0.41 -0.67 0.52 2.07 -2.00 -3.35 116.25 114.66 2hfd h VAL 56 Ca 0.56 -1.65 0.15 0.00 0.82 0.00 0.00 66.70 66.57 2hfd h VAL 56 Cb 0.72 2.04 -0.11 0.00 -1.52 0.00 0.00 31.29 32.41 2hfd h VAL 56 CO 1.43 0.23 0.02 0.00 0.02 0.00 0.00 177.57 179.27 2hfd h MET 57 N 0.00 0.12 -0.50 1.57 -0.00 -1.95 -0.45 114.93 113.73 2hfd h MET 57 Ca -0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 2hfd h MET 57 Cb 1.28 -0.03 -0.02 0.00 -0.00 0.00 0.00 31.60 32.82 2hfd h MET 57 CO 0.03 0.08 0.33 0.82 -0.00 0.00 0.00 176.91 178.17 2hfd h ILE 58 N 0.12 1.13 -0.22 -0.10 1.08 -1.97 0.15 117.51 117.71 2hfd h ILE 58 Ca 0.36 -0.25 -0.04 0.00 -0.39 0.00 0.00 64.86 64.53 2hfd h ILE 58 Cb 0.60 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.74 2hfd h ILE 58 CO -0.57 0.13 -0.03 1.23 -0.69 0.00 0.00 178.15 178.21 2hfd h GLY 59 N 0.70 0.44 1.49 5.37 0.00 -1.30 -1.91 103.07 107.86 2hfd h GLY 59 Ca 0.18 -0.35 -0.29 0.00 0.00 0.00 0.00 47.33 46.88 2hfd h GLY 59 CO -0.04 0.32 -1.26 0.83 0.00 0.00 0.00 176.54 176.39 2hfd h GLU 60 N 0.15 0.40 0.67 4.80 4.39 -1.31 -3.09 114.58 120.59 2hfd h GLU 60 Ca 0.06 -0.62 -0.03 0.00 0.34 0.00 0.00 59.36 59.11 2hfd h GLU 60 Cb 0.47 0.22 0.01 0.00 -0.10 0.00 0.00 28.75 29.35 2hfd h GLU 60 CO 0.02 1.28 -0.32 1.25 -1.16 0.00 0.00 179.01 180.07 2hfd h LEU 61 N 0.13 -0.77 -1.32 1.33 5.85 -0.70 -3.02 115.31 116.81 2hfd h LEU 61 Ca -0.16 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.48 2hfd h LEU 61 Cb 1.96 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 43.18 2hfd h LEU 61 CO 0.22 -0.45 -0.34 -0.07 -0.34 0.00 0.00 178.44 177.46 2hfd h LEU 62 N -1.06 0.00 0.00 2.25 4.07 -1.50 -2.84 115.31 116.23 2hfd h LEU 62 Ca -0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.87 2hfd h LEU 62 Cb 0.73 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.47 2hfd h LEU 62 CO 0.15 0.34 0.00 0.54 -1.08 0.00 0.00 178.44 178.39 2hfd n ARG 63 N -4.11 0.33 0.08 1.13 5.12 -1.17 -2.40 116.66 115.65 2hfd n ARG 63 Ca -0.02 0.02 0.10 0.00 -1.93 0.00 0.00 57.85 56.02 2hfd n ARG 63 Cb 0.38 -1.50 0.42 0.00 -1.16 0.00 0.00 32.46 30.60 2hfd n ARG 63 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2hfd n GLU 64 N -1.32 0.12 -3.65 5.56 0.28 -1.07 -3.40 120.64 117.15 2hfd n GLU 64 Ca 0.12 0.38 -0.36 0.00 -0.16 0.00 0.00 57.16 57.13 2hfd n GLU 64 Cb 0.24 -1.74 -0.07 0.00 1.43 0.00 0.00 31.44 31.30 2hfd n GLU 64 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2hfd s PHE 65 N -3.21 3.78 -1.01 -1.84 0.08 -1.01 -4.91 117.98 109.86 2hfd s PHE 65 Ca 0.05 -2.94 0.28 0.00 0.12 0.00 0.00 56.93 54.44 2hfd s PHE 65 Cb 0.09 -3.24 1.14 0.00 -0.57 0.00 0.00 43.02 40.44 2hfd s PHE 65 CO 0.33 -0.76 1.86 -2.30 -0.10 0.00 0.00 175.22 174.24 2hfd n PRO 66 N 2.62 0.01 0.15 0.24 -0.02 -1.22 -3.53 135.00 133.25 2hfd n PRO 66 Ca 0.18 -0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.69 2hfd n PRO 66 Cb 0.37 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.45 2hfd n PRO 66 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2hfd h ASP 67 N 0.00 0.00 -4.24 2.55 3.58 -1.92 -3.44 116.42 112.96 2hfd h ASP 67 Ca 0.00 0.00 -0.69 0.00 0.42 0.00 0.00 57.03 56.76 2hfd h ASP 67 Cb 0.50 0.00 -0.31 0.00 1.72 0.00 0.00 39.33 41.24 2hfd h ASP 67 CO 0.00 0.49 -0.89 -0.47 -2.88 0.00 0.00 179.24 175.49 2hfd s TYR 68 N -3.10 2.40 -0.37 0.28 5.04 -1.23 -5.09 117.35 115.27 2hfd s TYR 68 Ca 0.03 -0.62 -0.24 0.00 -2.44 0.00 0.00 57.07 53.81 2hfd s TYR 68 Cb 0.08 -1.56 0.01 0.00 0.35 0.00 0.00 41.96 40.84 2hfd s TYR 68 CO 0.73 -0.15 0.81 0.95 -1.34 0.00 0.00 175.55 176.55 2hfd s THR 69 N -0.34 4.70 0.06 4.34 -4.23 -1.26 -4.94 115.64 113.97 2hfd s THR 69 Ca 0.02 0.92 -0.28 0.00 -1.18 0.00 0.00 61.69 61.17 2hfd s THR 69 Cb -0.12 -4.24 -0.05 0.00 1.34 0.00 0.00 72.50 69.43 2hfd s THR 69 CO 0.02 -0.47 0.89 0.26 -0.54 0.00 0.00 174.62 174.78 2hfd s TRP 70 N 3.18 3.75 -0.39 3.99 0.52 -1.26 -4.72 118.94 124.01 2hfd s TRP 70 Ca 0.33 1.65 -0.10 0.00 0.02 0.00 0.00 56.10 57.99 2hfd s TRP 70 Cb -0.13 -2.98 0.04 0.00 -1.15 0.00 0.00 33.47 29.26 2hfd s TRP 70 CO 0.17 0.18 0.22 -0.65 0.02 0.00 0.00 176.95 176.90 2hfd s GLN 71 N 0.21 2.75 -0.32 4.98 -0.21 -1.26 -4.96 119.66 120.84 2hfd s GLN 71 Ca 0.45 -1.20 -0.17 0.00 0.02 0.00 0.00 55.36 54.45 2hfd s GLN 71 Cb -0.22 -3.74 -0.01 0.00 1.00 0.00 0.00 33.01 30.04 2hfd s GLN 71 CO 0.27 -0.78 0.46 0.08 -2.12 0.00 0.00 175.29 173.20 2hfd s VAL 72 N 1.51 5.08 -0.02 1.09 1.01 -1.26 -0.94 120.40 126.86 2hfd s VAL 72 Ca 0.02 0.41 0.06 0.00 0.00 0.00 0.00 61.98 62.47 2hfd s VAL 72 Cb -0.20 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 2hfd s VAL 72 CO 0.05 -0.09 -0.20 0.00 0.00 0.00 0.00 175.10 174.87 2hfd s ALA 73 N 2.27 2.44 0.19 5.51 0.00 0.20 -3.84 121.76 128.53 2hfd s ALA 73 Ca 0.17 -1.07 0.08 0.00 0.00 0.00 0.00 51.96 51.14 2hfd s ALA 73 Cb -0.16 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 2hfd s ALA 73 CO 0.12 0.55 -0.16 0.96 0.00 0.00 0.00 175.76 177.22 2hfd s ILE 74 N -0.71 1.83 0.08 0.00 -4.36 -0.96 -1.39 121.20 115.68 2hfd s ILE 74 Ca 0.11 -2.11 0.02 0.00 -0.26 0.00 0.00 60.65 58.42 2hfd s ILE 74 Cb -0.10 -1.98 -0.04 0.00 1.25 0.00 0.00 42.46 41.59 2hfd s ILE 74 CO 0.01 -0.47 -0.08 0.00 0.24 0.00 0.00 174.94 174.64 2hfd s ALA 75 N -2.57 0.91 0.72 2.27 0.00 -1.00 -1.79 121.76 120.29 2hfd s ALA 75 Ca 0.20 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2hfd s ALA 75 Cb -0.03 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.18 2hfd s ALA 75 CO 0.07 -0.12 0.00 -0.40 0.00 0.00 0.00 175.76 175.31 2hfd n ASP 76 N 0.53 0.00 0.22 0.00 5.75 -1.26 -3.81 116.55 117.97 2hfd n ASP 76 Ca -0.16 -0.77 -0.15 0.00 -0.01 0.00 0.00 54.79 53.69 2hfd n ASP 76 Cb 0.58 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.59 2hfd n ASP 76 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2hfd h LEU 77 N 0.00 -0.44 -0.27 -2.12 4.07 -1.97 -0.16 115.31 114.41 2hfd h LEU 77 Ca 0.00 0.02 -0.06 0.00 0.08 0.00 0.00 57.88 57.91 2hfd h LEU 77 Cb 0.00 0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 2hfd h LEU 77 CO 0.00 -0.31 -0.08 -0.33 -1.08 0.00 0.00 178.44 176.64 2hfd h GLU 78 N -0.50 0.54 0.05 1.13 4.39 -1.99 -2.44 114.58 115.75 2hfd h GLU 78 Ca -0.05 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.44 2hfd h GLU 78 Cb 0.39 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2hfd h GLU 78 CO 0.07 0.76 -0.02 1.96 -1.16 0.00 0.00 179.01 180.61 2hfd h GLN 79 N 0.29 -0.06 -0.52 2.33 7.50 -1.92 -1.71 115.11 121.01 2hfd h GLN 79 Ca 0.07 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.19 2hfd h GLN 79 Cb 0.57 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.09 2hfd h GLN 79 CO 0.03 0.05 0.20 0.66 -1.50 0.00 0.00 178.83 178.27 2hfd h SER 80 N -0.16 0.73 -0.32 1.46 4.64 -1.00 0.11 113.55 118.99 2hfd h SER 80 Ca -0.01 -0.17 -0.08 0.00 -0.47 0.00 0.00 61.79 61.06 2hfd h SER 80 Cb 0.14 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 2hfd h SER 80 CO 0.01 0.70 -0.06 -0.33 -0.87 0.00 0.00 176.83 176.29 2hfd h GLU 81 N 0.71 0.72 -0.22 4.77 4.39 -1.43 0.19 114.58 123.71 2hfd h GLU 81 Ca 0.17 -0.21 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 2hfd h GLU 81 Cb 0.21 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2hfd h GLU 81 CO -0.01 0.77 -0.24 0.00 -1.16 0.00 0.00 179.01 178.37 2hfd h ALA 82 N 1.27 0.33 -0.54 3.43 0.00 -0.84 -0.75 119.26 122.15 2hfd h ALA 82 Ca 0.12 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 2hfd h ALA 82 Cb 0.50 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2hfd h ALA 82 CO 0.03 0.30 0.08 0.82 0.00 0.00 0.00 179.25 180.47 2hfd h ILE 83 N 0.25 1.26 -0.82 0.00 2.04 -0.62 -2.36 117.51 117.25 2hfd h ILE 83 Ca 0.03 -0.98 -0.04 0.00 1.00 0.00 0.00 64.86 64.88 2hfd h ILE 83 Cb 0.80 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 2hfd h ILE 83 CO 0.06 0.35 0.37 1.23 0.00 0.00 0.00 178.15 180.16 2hfd h GLY 84 N 0.79 1.29 0.98 5.37 0.00 -0.60 -2.70 103.07 108.21 2hfd h GLY 84 Ca 0.16 -0.66 0.01 0.00 0.00 0.00 0.00 47.33 46.84 2hfd h GLY 84 CO 0.01 0.63 0.61 -1.80 0.00 0.00 0.00 176.54 175.99 2hfd h ASP 85 N 1.18 1.05 -0.95 0.19 3.58 -0.88 0.55 116.42 121.14 2hfd h ASP 85 Ca 0.28 -0.02 0.15 0.00 0.42 0.00 0.00 57.03 57.85 2hfd h ASP 85 Cb 0.16 -0.26 -0.09 0.00 1.72 0.00 0.00 39.33 40.86 2hfd h ASP 85 CO -0.03 0.75 0.56 0.03 -2.88 0.00 0.00 179.24 177.67 2hfd h ARG 86 N 1.24 0.79 0.00 0.28 3.08 -1.09 -3.30 114.38 115.37 2hfd h ARG 86 Ca 0.34 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.35 2hfd h ARG 86 Cb -0.12 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.75 2hfd h ARG 86 CO -0.08 0.52 -0.24 0.34 -1.07 0.00 0.00 179.97 179.44 2hfd n PHE 87 N -4.74 0.38 0.00 3.04 7.35 -0.72 -5.03 117.46 117.74 2hfd n PHE 87 Ca 0.19 0.17 0.00 0.00 -0.76 0.00 0.00 57.45 57.05 2hfd n PHE 87 Cb 0.44 -0.46 0.00 0.00 0.35 0.00 0.00 39.48 39.81 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 1.67 0.13 3.38 7.13 0.00 0.19 -5.09 105.19 112.59 2hfd n GLY 88 Ca -0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 5.03 0.14 1.61 1.01 -0.95 -4.91 120.40 122.33 2hfd s VAL 89 Ca 0.00 -1.56 0.03 0.00 0.00 0.00 0.00 61.98 60.45 2hfd s VAL 89 Cb 0.00 -4.54 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 2hfd s VAL 89 CO 0.00 -1.18 -0.07 0.72 0.00 0.00 0.00 175.10 174.57 2hfd s PHE 90 N 1.94 1.13 0.00 5.22 -0.12 -1.26 -4.22 117.98 120.68 2hfd s PHE 90 Ca 0.18 -0.85 0.00 0.00 -0.05 0.00 0.00 56.93 56.20 2hfd s PHE 90 Cb -0.16 -0.61 0.00 0.00 -0.63 0.00 0.00 43.02 41.61 2hfd s PHE 90 CO -0.02 -0.04 0.00 -2.13 -0.05 0.00 0.00 175.22 172.98 2hfd n ARG 91 N -0.16 -0.88 -3.82 1.99 0.63 -1.26 -4.94 116.66 108.23 2hfd n ARG 91 Ca -0.10 0.22 -0.30 0.00 -0.92 0.00 0.00 57.85 56.75 2hfd n ARG 91 Cb 0.61 -4.13 -0.15 0.00 0.45 0.00 0.00 32.46 29.24 2hfd n ARG 91 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 2hfd s PHE 92 N -1.58 2.22 -0.02 -0.14 5.36 -1.26 -5.03 117.98 117.53 2hfd s PHE 92 Ca 0.00 -1.98 -0.30 0.00 -0.96 0.00 0.00 56.93 53.69 2hfd s PHE 92 Cb 0.00 -1.94 -0.04 0.00 -0.34 0.00 0.00 43.02 40.70 2hfd s PHE 92 CO 0.00 -0.87 1.21 -1.25 -1.46 0.00 0.00 175.22 172.85 2hfd s PRO 93 N 1.44 4.37 0.06 10.12 0.04 -1.26 -4.97 135.00 144.80 2hfd s PRO 93 Ca 0.08 1.72 -0.14 0.00 0.04 0.00 0.00 61.00 62.69 2hfd s PRO 93 Cb -0.18 -3.50 0.05 0.00 0.04 0.00 0.00 34.50 30.91 2hfd s PRO 93 CO -0.18 -0.40 0.66 0.00 0.04 0.00 0.00 177.00 177.12 2hfd n ALA 94 N 4.85 -1.78 -2.73 8.56 0.00 -1.26 -4.95 120.51 123.20 2hfd n ALA 94 Ca 0.10 -0.54 -0.38 0.00 0.00 0.00 0.00 53.44 52.62 2hfd n ALA 94 Cb 0.46 0.23 -0.11 0.00 0.00 0.00 0.00 19.45 20.03 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 -2.19 5.01 -0.29 0.00 2.01 -0.78 -1.34 115.64 118.05 2hfd s THR 95 Ca 0.15 0.07 -0.15 0.00 0.31 0.00 0.00 61.69 62.07 2hfd s THR 95 Cb -0.01 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 2hfd s THR 95 CO 0.02 0.28 0.38 -0.76 -0.69 0.00 0.00 174.62 173.84 2hfd s LEU 96 N 1.71 4.15 -0.26 4.42 1.43 0.11 0.00 118.68 130.24 2hfd s LEU 96 Ca 0.07 0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.18 2hfd s LEU 96 Cb -0.16 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 2hfd s LEU 96 CO 0.09 -0.24 0.27 0.54 0.23 0.00 0.00 176.35 177.24 2hfd s VAL 97 N 2.08 5.26 0.31 -1.59 0.11 -1.04 -0.74 120.40 124.78 2hfd s VAL 97 Ca 0.14 0.38 0.11 0.00 -2.93 0.00 0.00 61.98 59.68 2hfd s VAL 97 Cb -0.16 -3.61 -0.06 0.00 -1.53 0.00 0.00 36.38 31.03 2hfd s VAL 97 CO 0.11 0.24 -0.15 -0.36 -3.33 0.00 0.00 175.10 171.60 2hfd s PHE 98 N 1.68 2.35 -0.29 1.54 0.40 -1.11 -1.24 117.98 121.30 2hfd s PHE 98 Ca 0.11 -0.40 -0.16 0.00 -0.60 0.00 0.00 56.93 55.88 2hfd s PHE 98 Cb -0.15 -1.17 0.13 0.00 0.51 0.00 0.00 43.02 42.34 2hfd s PHE 98 CO 0.09 0.66 0.90 0.95 0.70 0.00 0.00 175.22 178.52 2hfd s THR 99 N -2.55 -0.02 -1.11 0.64 -4.23 -0.31 -4.05 115.64 104.01 2hfd s THR 99 Ca 0.31 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.82 2hfd s THR 99 Cb -0.02 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.82 2hfd s THR 99 CO 0.16 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 2hfd n GLY 100 N 3.90 -0.09 3.25 3.99 0.00 -1.26 -1.85 105.19 113.13 2hfd n GLY 100 Ca -0.19 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.03 1.95 3.95 -0.02 0.00 -1.26 -4.99 105.19 103.78 2hfd n GLY 101 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.40 6.34 -0.13 1.61 0.01 -0.77 -5.06 114.94 113.53 2hfd s ASN 102 Ca 0.00 0.24 -0.16 0.00 -0.71 0.00 0.00 52.86 52.23 2hfd s ASN 102 Cb 0.00 -1.94 -0.04 0.00 0.41 0.00 0.00 41.25 39.68 2hfd s ASN 102 CO 0.00 -0.05 0.39 -0.47 -1.51 0.00 0.00 177.10 175.46 2hfd s TYR 103 N -1.92 3.50 -0.17 2.20 5.04 -1.26 -1.16 117.35 123.58 2hfd s TYR 103 Ca 0.36 0.76 -0.15 0.00 -2.44 0.00 0.00 57.07 55.60 2hfd s TYR 103 Cb -0.10 -2.45 -0.05 0.00 0.35 0.00 0.00 41.96 39.71 2hfd s TYR 103 CO 0.30 0.22 -0.29 0.54 -1.34 0.00 0.00 175.55 174.98 2hfd n ARG 104 N 3.56 0.50 -1.21 4.97 5.12 -0.38 -4.97 116.66 124.26 2hfd n ARG 104 Ca -0.09 0.33 0.00 0.00 -1.93 0.00 0.00 57.85 56.15 2hfd n ARG 104 Cb 0.52 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 30.29 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 1.51 -0.66 3.23 -0.13 0.00 -1.22 -4.98 105.19 102.94 2hfd n GLY 105 Ca -0.12 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 2hfd n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hfd s VAL 106 N -3.63 1.93 -0.20 1.61 1.01 -1.26 -2.50 120.40 117.35 2hfd s VAL 106 Ca 0.00 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 60.95 2hfd s VAL 106 Cb 0.00 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 2hfd s VAL 106 CO 0.00 0.54 -0.01 -0.76 0.00 0.00 0.00 175.10 174.86 2hfd s LEU 107 N 0.03 3.17 -0.23 3.92 1.43 0.10 -4.99 118.68 122.11 2hfd s LEU 107 Ca -0.08 -0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 52.65 2hfd s LEU 107 Cb -0.15 -1.80 0.08 0.00 0.03 0.00 0.00 46.19 44.35 2hfd s LEU 107 CO 0.05 0.05 0.57 0.54 0.23 0.00 0.00 176.35 177.78 2hfd s ASN 108 N 1.10 -0.76 0.00 2.29 2.20 -1.26 -1.88 114.94 116.63 2hfd s ASN 108 Ca 0.02 1.26 0.00 0.00 -0.94 0.00 0.00 52.86 53.20 2hfd s ASN 108 Cb -0.14 1.20 0.00 0.00 -2.00 0.00 0.00 41.25 40.31 2hfd s ASN 108 CO 0.01 -0.22 0.00 0.61 -2.94 0.00 0.00 177.10 174.56 2hfd n GLY 109 N 4.41 2.79 0.02 0.45 0.00 -1.26 -5.02 105.19 106.59 2hfd n GLY 109 Ca -0.20 0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 0.26 -0.09 -0.61 2.08 -1.26 -4.88 119.36 114.85 2hfd n ILE 110 Ca 0.00 -0.21 -0.10 0.00 0.56 0.00 0.00 62.75 63.00 2hfd n ILE 110 Cb 0.00 -0.42 -0.04 0.00 -0.75 0.00 0.00 39.64 38.43 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 -2.04 0.19 -2.60 1.39 8.25 -1.26 -4.88 115.22 114.26 2hfd n HIS 111 Ca -0.07 0.08 -0.43 0.00 -0.26 0.00 0.00 57.72 57.05 2hfd n HIS 111 Cb 0.50 -0.60 -0.02 0.00 1.12 0.00 0.00 29.99 30.99 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 -2.75 4.24 -0.25 -0.41 0.02 -1.26 -4.91 135.00 129.69 2hfd s PRO 112 Ca -0.27 1.42 -0.14 0.00 0.02 0.00 0.00 61.00 62.03 2hfd s PRO 112 Cb 0.05 -3.68 -0.15 0.00 0.02 0.00 0.00 34.50 30.74 2hfd s PRO 112 CO 0.40 -0.66 -0.15 1.87 -0.33 0.00 0.00 177.00 178.13 2hfd n TRP 113 N 6.42 0.35 -0.16 6.54 -0.00 -1.26 -2.63 117.44 126.70 2hfd n TRP 113 Ca 0.12 0.14 0.04 0.00 -0.00 0.00 0.00 57.50 57.80 2hfd n TRP 113 Cb 0.46 -1.04 0.34 0.00 -0.00 0.00 0.00 31.31 31.07 2hfd n TRP 113 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2hfd h ALA 114 N -0.70 1.64 -0.01 5.87 0.00 -2.00 0.05 119.26 124.11 2hfd h ALA 114 Ca -0.58 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.05 2hfd h ALA 114 Cb 1.58 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 19.17 2hfd h ALA 114 CO -0.31 0.29 -0.96 0.93 0.00 0.00 0.00 179.25 179.20 2hfd h GLU 115 N 0.79 0.66 -0.61 0.00 5.08 -1.98 -2.41 114.58 116.11 2hfd h GLU 115 Ca 0.27 -0.70 0.03 0.00 -1.00 0.00 0.00 59.36 57.95 2hfd h GLU 115 Cb 0.09 0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2hfd h GLU 115 CO -0.08 1.29 0.37 1.25 -1.00 0.00 0.00 179.01 180.85 2hfd h LEU 116 N 0.32 0.61 -0.10 1.33 5.85 -1.14 -1.71 115.31 120.48 2hfd h LEU 116 Ca -0.12 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 2hfd h LEU 116 Cb 1.62 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.52 2hfd h LEU 116 CO 0.19 0.43 0.05 0.40 -0.34 0.00 0.00 178.44 179.17 2hfd h ILE 117 N 0.74 1.09 -0.02 4.05 2.04 -1.05 -1.85 117.51 122.51 2hfd h ILE 117 Ca 0.24 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.88 2hfd h ILE 117 Cb 0.02 1.09 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 2hfd h ILE 117 CO -0.10 0.08 -0.39 -1.13 0.00 0.00 0.00 178.15 176.61 2hfd h ASN 118 N 0.05 -1.19 -0.80 1.72 -1.24 -1.09 0.10 115.58 113.13 2hfd h ASN 118 Ca 0.03 0.15 -0.02 0.00 0.71 0.00 0.00 56.30 57.17 2hfd h ASN 118 Cb 0.09 0.47 -0.04 0.00 0.73 0.00 0.00 38.32 39.57 2hfd h ASN 118 CO -0.01 -0.43 0.41 -0.07 -1.29 0.00 0.00 177.43 176.04 2hfd h LEU 119 N -0.53 1.02 -0.11 0.34 3.38 -1.32 0.56 115.31 118.65 2hfd h LEU 119 Ca 0.06 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2hfd h LEU 119 Cb 0.63 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2hfd h LEU 119 CO -0.32 0.85 0.06 -0.03 0.09 0.00 0.00 178.44 179.09 2hfd h MET 120 N 1.12 0.16 -0.61 1.13 4.05 -0.82 -1.13 114.93 118.84 2hfd h MET 120 Ca 0.28 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.62 2hfd h MET 120 Cb 0.08 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.82 2hfd h MET 120 CO -0.04 0.22 0.18 -0.09 0.23 0.00 0.00 176.91 177.41 2hfd h ARG 121 N 0.07 0.93 -0.01 0.39 2.43 -0.57 -0.09 114.38 117.54 2hfd h ARG 121 Ca 0.04 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 2hfd h ARG 121 Cb 0.11 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2hfd h ARG 121 CO -0.01 0.81 -0.18 0.78 -1.51 0.00 0.00 179.97 179.86 2hfd h GLY 122 N 1.02 0.01 0.10 2.80 0.00 -0.52 0.11 103.07 106.59 2hfd h GLY 122 Ca 0.20 -0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.42 2hfd h GLY 122 CO -0.01 0.00 -0.54 1.41 0.00 0.00 0.00 176.54 177.41 2hfd h LEU 123 N 0.01 0.07 -0.59 3.11 3.38 -0.42 -3.38 115.31 117.48 2hfd h LEU 123 Ca -0.00 -0.85 -0.15 0.00 0.09 0.00 0.00 57.88 56.97 2hfd h LEU 123 Cb 0.33 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2hfd h LEU 123 CO 0.02 1.22 -0.70 -0.37 0.09 0.00 0.00 178.44 178.71 2hfd h VAL 124 N -0.89 1.48 -3.68 1.22 -1.51 -1.00 -3.34 116.25 108.53 2hfd h VAL 124 Ca -0.14 -2.35 -0.77 0.00 -1.23 0.00 0.00 66.70 62.21 2hfd h VAL 124 Cb 1.20 2.26 -0.27 0.00 -2.13 0.00 0.00 31.29 32.36 2hfd h VAL 124 CO -0.04 0.67 -0.01 -0.70 -1.23 0.00 0.00 177.57 176.26 2hfd s GLU 125 N -3.45 3.38 -0.31 5.19 2.12 0.39 -5.04 118.70 120.97 2hfd s GLU 125 Ca -0.01 -2.35 -0.29 0.00 0.36 0.00 0.00 54.97 52.68 2hfd s GLU 125 Cb 0.12 -4.32 0.01 0.00 0.26 0.00 0.00 34.13 30.20 2hfd s GLU 125 CO 0.78 -1.28 1.14 -1.25 -0.54 0.00 0.00 175.26 174.11 2hfd s PRO 126 N 0.37 4.02 -0.00 4.30 0.04 -1.26 -4.59 135.00 137.88 2hfd s PRO 126 Ca 0.15 1.12 0.22 0.00 0.04 0.00 0.00 61.00 62.53 2hfd s PRO 126 Cb -0.14 -3.78 -0.27 0.00 0.04 0.00 0.00 34.50 30.35 2hfd s PRO 126 CO -0.06 -0.97 0.55 0.94 0.04 0.00 0.00 177.00 177.50 2hfd n GLN 127 N 7.01 0.65 -2.77 4.56 7.27 -1.26 -5.07 117.38 127.77 2hfd n GLN 127 Ca 0.13 -0.11 -0.01 0.00 0.07 0.00 0.00 57.00 57.08 2hfd n GLN 127 Cb 0.47 -1.58 -0.01 0.00 2.41 0.00 0.00 30.24 31.53 2hfd n GLN 127 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2hfd n GLN 128 N -2.40 -3.22 -3.38 3.69 6.02 -1.26 -4.98 117.38 111.86 2hfd n GLN 128 Ca -0.06 2.62 -0.41 0.00 -0.01 0.00 0.00 57.00 59.13 2hfd n GLN 128 Cb 0.63 -4.73 -0.09 0.00 1.02 0.00 0.00 30.24 27.07 2hfd n GLN 128 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2hfd s GLU 129 N -1.40 3.42 0.00 -1.09 0.41 -1.26 -4.58 118.70 114.20 2hfd s GLU 129 Ca -0.04 -0.52 0.00 0.00 -0.41 0.00 0.00 54.97 54.00 2hfd s GLU 129 Cb 0.00 -3.85 0.00 0.00 -1.78 0.00 0.00 34.13 28.50 2hfd s GLU 129 CO 0.68 -0.62 0.00 -2.13 -0.49 0.00 0.00 175.26 172.69 2hfd n ARG 130 N 5.44 0.00 -2.64 1.61 0.63 -1.26 -4.70 116.66 115.74 2hfd n ARG 130 Ca -0.09 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.82 2hfd n ARG 130 Cb 0.49 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.38 2hfd n ARG 130 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2hfd n ALA 131 N 0.00 -3.59 -0.38 5.13 0.00 -1.26 -5.29 120.51 115.12 2hfd n ALA 131 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 53.44 54.73 2hfd n ALA 131 Cb 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 16.91 2hfd n ALA 131 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93