#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 -0.38 -4.66 6.12 3.41 -1.26 -4.93 113.62 111.92 2hfd n SER 2 Ca 0.00 0.21 -0.23 0.00 -0.26 0.00 0.00 58.87 58.58 2hfd n SER 2 Cb 0.00 0.49 -0.07 0.00 -0.26 0.00 0.00 64.21 64.37 2hfd n SER 2 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2hfd s ASN 3 N -4.35 4.65 -1.12 4.04 2.47 -1.26 -4.33 114.94 115.03 2hfd s ASN 3 Ca 0.00 -0.58 0.00 0.00 0.42 0.00 0.00 52.86 52.70 2hfd s ASN 3 Cb 0.00 -0.91 0.00 0.00 -1.45 0.00 0.00 41.25 38.89 2hfd s ASN 3 CO 0.00 0.01 0.00 -0.90 -3.72 0.00 0.00 177.10 172.49 2hfd n ASP 4 N -0.78 -3.10 0.07 -4.21 5.75 -1.26 -4.57 116.55 108.44 2hfd n ASP 4 Ca -0.07 0.26 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 2hfd n ASP 4 Cb 0.58 -2.89 0.00 0.00 -1.03 0.00 0.00 41.12 37.78 2hfd n ASP 4 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2hfd n THR 5 N -2.14 0.06 -0.02 2.12 -2.24 -1.26 -4.78 114.28 106.02 2hfd n THR 5 Ca -0.12 0.02 -0.07 0.00 -2.27 0.00 0.00 64.05 61.62 2hfd n THR 5 Cb 0.43 -0.35 -0.06 0.00 -2.10 0.00 0.00 70.33 68.25 2hfd n THR 5 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2hfd h PRO 6 N 0.00 -0.07 -0.75 -0.78 0.11 -1.81 -2.47 132.00 126.23 2hfd h PRO 6 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 2hfd h PRO 6 Cb 0.00 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.09 2hfd h PRO 6 CO 0.00 0.32 0.44 0.35 -0.21 0.00 0.00 178.00 178.90 2hfd h PHE 7 N -0.98 0.99 0.35 0.65 3.57 -1.92 -0.49 116.94 119.12 2hfd h PHE 7 Ca -0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2hfd h PHE 7 Cb 0.42 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.84 2hfd h PHE 7 CO 0.10 0.67 -0.17 0.22 -2.23 0.00 0.00 178.31 176.90 2hfd h ASP 8 N 1.04 -0.40 -0.69 0.41 3.58 -1.87 0.45 116.42 118.93 2hfd h ASP 8 Ca 0.27 -0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.64 2hfd h ASP 8 Cb -0.02 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.09 2hfd h ASP 8 CO -0.05 -0.12 0.44 0.00 -2.88 0.00 0.00 179.24 176.63 2hfd h ALA 9 N -0.13 0.90 0.38 -0.78 0.00 -1.31 0.26 119.26 118.57 2hfd h ALA 9 Ca -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2hfd h ALA 9 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2hfd h ALA 9 CO 0.08 0.22 -0.26 1.25 0.00 0.00 0.00 179.25 180.54 2hfd h LEU 10 N 0.86 -0.67 -0.91 0.00 7.12 -1.00 -2.03 115.31 118.67 2hfd h LEU 10 Ca 0.27 0.05 -0.03 0.00 0.13 0.00 0.00 57.88 58.30 2hfd h LEU 10 Cb -0.00 0.21 -0.04 0.00 -0.53 0.00 0.00 40.66 40.30 2hfd h LEU 10 CO -0.10 -0.41 0.39 -0.25 -0.13 0.00 0.00 178.44 177.95 2hfd h TRP 11 N -0.63 1.17 -1.00 1.25 7.01 -0.52 -1.87 115.95 121.37 2hfd h TRP 11 Ca -0.04 -0.06 0.06 0.00 2.11 0.00 0.00 58.89 60.97 2hfd h TRP 11 Cb 0.53 -0.36 -0.06 0.00 -2.10 0.00 0.00 29.16 27.16 2hfd h TRP 11 CO -0.12 0.85 0.65 1.96 -2.79 0.00 0.00 178.44 178.99 2hfd h GLN 12 N 1.16 1.15 0.26 2.65 1.08 -0.31 0.31 115.11 121.42 2hfd h GLN 12 Ca 0.28 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 2hfd h GLN 12 Cb 0.12 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 27.29 2hfd h GLN 12 CO -0.04 0.76 -0.12 0.00 -0.95 0.00 0.00 178.83 178.48 2hfd h ARG 13 N 1.19 -0.34 -0.83 1.46 3.08 -0.66 -2.09 114.38 116.19 2hfd h ARG 13 Ca 0.42 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.55 2hfd h ARG 13 Cb 0.13 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 2hfd h ARG 13 CO -0.16 -0.06 0.55 0.52 -1.07 0.00 0.00 179.97 179.75 2hfd h MET 14 N -0.60 0.93 -0.24 0.04 2.86 -0.93 -1.91 114.93 115.07 2hfd h MET 14 Ca -0.04 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.44 2hfd h MET 14 Cb 0.43 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 2hfd h MET 14 CO 0.06 0.61 -0.32 -0.07 1.06 0.00 0.00 176.91 178.25 2hfd h LEU 15 N 0.96 0.51 -1.94 1.22 -0.00 -0.32 -2.58 115.31 113.16 2hfd h LEU 15 Ca 0.35 -0.20 -0.01 0.00 -0.00 0.00 0.00 57.88 58.03 2hfd h LEU 15 Cb 0.16 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 40.68 2hfd h LEU 15 CO -0.12 0.80 -0.03 0.00 -0.00 0.00 0.00 178.44 179.10 2hfd h ALA 16 N 1.23 1.04 -0.04 1.53 0.00 -0.62 -0.62 119.26 121.77 2hfd h ALA 16 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2hfd h ALA 16 Cb 0.77 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2hfd h ALA 16 CO 0.06 0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.89 2hfd n ARG 17 N -3.17 1.26 -0.87 0.00 5.12 -0.98 -4.88 116.66 113.15 2hfd n ARG 17 Ca -0.01 -0.39 0.00 0.00 -1.93 0.00 0.00 57.85 55.52 2hfd n ARG 17 Cb 0.24 -1.39 0.00 0.00 -1.16 0.00 0.00 32.46 30.15 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 0.97 0.54 3.68 -0.13 0.00 -0.24 -5.00 105.19 105.01 2hfd n GLY 18 Ca 0.17 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 3.27 -0.17 1.61 0.51 -1.19 -4.93 118.94 116.04 2hfd s TRP 19 Ca 0.00 1.35 -0.24 0.00 -2.12 0.00 0.00 56.10 55.08 2hfd s TRP 19 Cb 0.00 -3.34 -0.02 0.00 -0.81 0.00 0.00 33.47 29.31 2hfd s TRP 19 CO 0.00 -0.89 0.78 0.99 -0.51 0.00 0.00 176.95 177.32 2hfd s THR 20 N 2.42 4.92 -0.14 2.01 2.01 -1.11 -4.51 115.64 121.25 2hfd s THR 20 Ca 0.52 1.53 -0.29 0.00 0.31 0.00 0.00 61.69 63.76 2hfd s THR 20 Cb -0.21 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 2hfd s THR 20 CO 0.18 0.06 1.49 -2.16 -0.69 0.00 0.00 174.62 173.49 2hfd s PRO 21 N 2.03 4.11 0.06 4.92 0.04 -1.26 -1.73 135.00 143.18 2hfd s PRO 21 Ca 0.36 1.85 0.07 0.00 0.04 0.00 0.00 61.00 63.32 2hfd s PRO 21 Cb -0.16 -3.91 -0.03 0.00 0.04 0.00 0.00 34.50 30.44 2hfd s PRO 21 CO 0.12 -0.90 -0.19 0.54 0.04 0.00 0.00 177.00 176.61 2hfd s VAL 22 N 4.09 1.55 0.42 -0.36 0.11 0.95 -4.94 120.40 122.22 2hfd s VAL 22 Ca 0.65 -1.29 0.02 0.00 -2.93 0.00 0.00 61.98 58.44 2hfd s VAL 22 Cb -0.27 -1.38 -0.00 0.00 -1.53 0.00 0.00 36.38 33.20 2hfd s VAL 22 CO 0.24 0.05 0.62 -0.44 -3.33 0.00 0.00 175.10 172.24 2hfd s SER 23 N -1.45 5.83 0.20 3.54 0.01 -1.26 -4.27 113.70 116.30 2hfd s SER 23 Ca 0.05 0.12 -0.13 0.00 1.31 0.00 0.00 55.95 57.31 2hfd s SER 23 Cb -0.09 -1.40 0.23 0.00 0.21 0.00 0.00 66.02 64.98 2hfd s SER 23 CO 0.03 -0.65 1.67 -0.33 0.41 0.00 0.00 173.24 174.36 2hfd h GLU 24 N 0.52 0.09 -0.57 12.44 4.39 -1.99 0.42 114.58 129.89 2hfd h GLU 24 Ca -0.46 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.25 2hfd h GLU 24 Cb 1.26 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.86 2hfd h GLU 24 CO 0.56 0.06 0.37 0.77 -1.16 0.00 0.00 179.01 179.61 2hfd h SER 25 N 0.10 0.63 0.49 1.42 0.02 -2.00 -2.24 113.55 111.96 2hfd h SER 25 Ca 0.28 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2hfd h SER 25 Cb 0.44 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2hfd h SER 25 CO -0.49 0.45 -1.34 -1.14 -1.14 0.00 0.00 176.83 173.17 2hfd n ARG 26 N -4.45 0.52 -0.27 3.45 3.00 -0.49 -3.82 116.66 114.59 2hfd n ARG 26 Ca 0.06 -0.02 -0.07 0.00 -0.00 0.00 0.00 57.85 57.82 2hfd n ARG 26 Cb 0.07 -1.65 0.06 0.00 0.00 0.00 0.00 32.46 30.93 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 1.10 -0.72 6.15 7.12 0.37 0.19 115.31 129.52 2hfd h LEU 27 Ca 0.00 -0.21 0.00 0.00 0.13 0.00 0.00 57.88 57.80 2hfd h LEU 27 Cb 0.91 -0.29 -0.04 0.00 -0.53 0.00 0.00 40.66 40.72 2hfd h LEU 27 CO 0.00 1.02 0.45 -0.78 -0.13 0.00 0.00 178.44 179.00 2hfd h ASP 28 N 1.12 0.85 0.62 1.25 1.82 -1.58 0.21 116.42 120.70 2hfd h ASP 28 Ca 0.24 -0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 56.81 2hfd h ASP 28 Cb 0.31 -0.21 0.01 0.00 0.68 0.00 0.00 39.33 40.12 2hfd h ASP 28 CO -0.01 0.64 -0.30 -0.78 -1.61 0.00 0.00 179.24 177.19 2hfd h ASP 29 N 0.98 -0.70 -0.98 2.28 3.58 -1.53 -1.83 116.42 118.22 2hfd h ASP 29 Ca 0.26 -0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.72 2hfd h ASP 29 Cb -0.07 0.18 -0.05 0.00 1.72 0.00 0.00 39.33 41.11 2hfd h ASP 29 CO -0.05 -0.40 0.64 -0.25 -2.88 0.00 0.00 179.24 176.30 2hfd h TRP 30 N -0.98 1.21 0.00 0.28 7.01 -0.50 0.11 115.95 123.07 2hfd h TRP 30 Ca -0.08 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 60.89 2hfd h TRP 30 Cb 0.68 -0.41 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 2hfd h TRP 30 CO -0.01 0.72 -0.28 1.25 -2.79 0.00 0.00 178.44 177.33 2hfd h LEU 31 N 1.27 0.00 -0.35 0.65 7.12 -0.58 0.25 115.31 123.67 2hfd h LEU 31 Ca 0.38 0.00 -0.19 0.00 0.13 0.00 0.00 57.88 58.20 2hfd h LEU 31 Cb -0.05 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.07 2hfd h LEU 31 CO -0.11 0.28 -0.82 0.74 -0.13 0.00 0.00 178.44 178.40 2hfd h THR 32 N 0.00 1.46 0.04 1.05 2.02 -0.07 -3.35 112.91 114.06 2hfd h THR 32 Ca -0.00 -2.47 -0.07 0.00 0.77 0.00 0.00 66.41 64.64 2hfd h THR 32 Cb 0.56 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 2hfd h THR 32 CO 0.04 0.72 -0.32 1.56 0.37 0.00 0.00 175.52 177.89 2hfd h GLN 33 N 0.14 0.09 -6.67 6.66 1.08 0.00 -3.46 115.11 112.95 2hfd h GLN 33 Ca -0.04 -0.15 -0.52 0.00 -1.45 0.00 0.00 58.65 56.49 2hfd h GLN 33 Cb 1.43 0.06 0.02 0.00 -0.05 0.00 0.00 27.48 28.93 2hfd h GLN 33 CO 0.13 1.07 0.55 0.00 -0.95 0.00 0.00 178.83 179.63 2hfd s ALA 34 N -2.29 3.43 -0.31 3.87 0.00 0.80 -4.93 121.76 122.33 2hfd s ALA 34 Ca -0.18 0.94 0.20 0.00 0.00 0.00 0.00 51.96 52.92 2hfd s ALA 34 Cb -0.01 -3.41 0.19 0.00 0.00 0.00 0.00 23.12 19.89 2hfd s ALA 34 CO 0.73 -0.35 1.45 -1.00 0.00 0.00 0.00 175.76 176.58 2hfd h PRO 35 N 5.18 0.00 0.00 0.00 0.14 -1.88 -3.42 132.00 132.01 2hfd h PRO 35 Ca -0.45 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.69 2hfd h PRO 35 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.35 2hfd h PRO 35 CO 0.74 0.18 0.00 -0.40 0.14 0.00 0.00 178.00 178.66 2hfd n ASP 36 N -3.08 0.00 -0.71 1.44 5.75 -1.26 -1.66 116.55 117.03 2hfd n ASP 36 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.80 2hfd n ASP 36 Cb 0.62 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 2hfd n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hfd n GLY 37 N 2.96 -1.52 2.99 6.12 0.00 -1.26 -2.81 105.19 111.68 2hfd n GLY 37 Ca 0.00 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 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 0.81 -0.03 1.61 -7.23 -1.19 -0.64 120.40 113.72 2hfd s VAL 38 Ca 0.00 -0.35 0.03 0.00 -1.81 0.00 0.00 61.98 59.85 2hfd s VAL 38 Cb 0.00 -0.74 0.00 0.00 0.56 0.00 0.00 36.38 36.20 2hfd s VAL 38 CO 0.00 0.26 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.25 2hfd s VAL 39 N 0.36 0.96 -0.32 1.32 1.01 -0.26 -0.24 120.40 123.24 2hfd s VAL 39 Ca -0.06 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.34 2hfd s VAL 39 Cb -0.11 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 2hfd s VAL 39 CO 0.01 0.29 0.23 -0.76 0.00 0.00 0.00 175.10 174.88 2hfd s LEU 40 N 0.20 4.32 -0.19 3.92 1.02 -0.86 0.02 118.68 127.10 2hfd s LEU 40 Ca -0.04 -0.24 -0.07 0.00 0.02 0.00 0.00 54.13 53.80 2hfd s LEU 40 Cb -0.10 -2.15 -0.04 0.00 0.02 0.00 0.00 46.19 43.92 2hfd s LEU 40 CO 0.01 -0.17 0.06 -0.22 0.02 0.00 0.00 176.35 176.05 2hfd s LEU 41 N 1.76 3.71 -0.17 1.79 0.20 -0.74 -3.85 118.68 121.39 2hfd s LEU 41 Ca 0.07 0.02 -0.10 0.00 0.69 0.00 0.00 54.13 54.80 2hfd s LEU 41 Cb -0.17 -1.94 -0.05 0.00 -0.43 0.00 0.00 46.19 43.60 2hfd s LEU 41 CO 0.11 0.14 0.17 -0.44 -0.29 0.00 0.00 176.35 176.04 2hfd s SER 42 N 0.58 6.30 0.00 3.68 0.01 -1.26 -2.27 113.70 120.74 2hfd s SER 42 Ca 0.03 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.63 2hfd s SER 42 Cb -0.13 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 63.99 2hfd s SER 42 CO 0.01 0.21 0.00 -0.24 0.41 0.00 0.00 173.24 173.63 2hfd n SER 43 N 3.21 0.00 -4.68 2.44 2.88 -1.26 -4.53 113.62 111.69 2hfd n SER 43 Ca -0.16 -0.84 -0.42 0.00 -1.33 0.00 0.00 58.87 56.12 2hfd n SER 43 Cb 0.53 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.95 2hfd n SER 43 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2hfd n ASP 44 N -1.01 4.12 -4.74 -3.46 9.92 -1.26 -4.11 116.55 116.01 2hfd n ASP 44 Ca 0.00 0.95 -0.42 0.00 -0.53 0.00 0.00 54.79 54.80 2hfd n ASP 44 Cb 0.00 -1.54 -0.02 0.00 -0.64 0.00 0.00 41.12 38.91 2hfd n ASP 44 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 2hfd s PRO 45 N 3.39 4.15 0.12 -0.24 0.02 -1.26 -3.44 135.00 137.74 2hfd s PRO 45 Ca 0.84 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.39 2hfd s PRO 45 Cb -0.46 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.00 2hfd s PRO 45 CO 0.39 -0.64 0.00 1.17 -0.33 0.00 0.00 177.00 177.59 2hfd n LYS 46 N 3.00 0.00 -0.06 5.54 4.81 -1.26 -4.91 118.16 125.28 2hfd n LYS 46 Ca 0.11 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.50 2hfd n LYS 46 Cb 0.37 -0.34 -0.11 0.00 0.02 0.00 0.00 35.03 34.96 2hfd n LYS 46 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2hfd n ARG 47 N -3.32 1.50 -1.92 1.64 3.00 -1.26 -4.96 116.66 111.34 2hfd n ARG 47 Ca 0.00 -0.03 -0.43 0.00 -0.00 0.00 0.00 57.85 57.40 2hfd n ARG 47 Cb 0.09 -1.37 -0.03 0.00 0.00 0.00 0.00 32.46 31.16 2hfd n ARG 47 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2hfd s THR 48 N -2.45 3.43 0.18 5.15 -4.23 -1.26 -4.85 115.64 111.61 2hfd s THR 48 Ca -0.07 0.49 -0.12 0.00 -1.18 0.00 0.00 61.69 60.82 2hfd s THR 48 Cb 0.05 -3.40 0.09 0.00 1.34 0.00 0.00 72.50 70.59 2hfd s THR 48 CO 0.59 -0.13 1.79 -0.65 -0.54 0.00 0.00 174.62 175.68 2hfd h PRO 49 N 11.01 0.88 0.00 3.99 0.11 -1.98 -3.44 132.00 142.57 2hfd h PRO 49 Ca -0.39 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2hfd h PRO 49 Cb 1.19 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2hfd h PRO 49 CO 0.97 0.68 0.00 -1.91 -0.21 0.00 0.00 178.00 177.53 2hfd n GLU 50 N -4.54 0.00 0.06 1.05 2.13 -1.26 -5.10 120.64 112.98 2hfd n GLU 50 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 2hfd n GLU 50 Cb 0.10 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.81 2hfd n GLU 50 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2hfd n VAL 51 N 0.00 0.20 -0.06 6.31 0.31 -1.26 -4.97 118.33 118.86 2hfd n VAL 51 Ca 0.00 0.07 -0.12 0.00 -0.01 0.00 0.00 64.34 64.28 2hfd n VAL 51 Cb 0.00 -0.82 -0.04 0.00 -0.91 0.00 0.00 33.84 32.07 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 -3.10 1.25 -3.42 4.52 2.88 -1.26 -4.96 113.62 109.54 2hfd n SER 52 Ca 0.00 0.11 -0.15 0.00 -1.33 0.00 0.00 58.87 57.50 2hfd n SER 52 Cb 0.07 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 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 -3.40 -6.29 -2.33 -3.46 2.03 -1.26 -4.37 116.55 97.47 2hfd n ASP 53 Ca -0.22 -0.45 -0.02 0.00 0.52 0.00 0.00 54.79 54.61 2hfd n ASP 53 Cb 0.67 -3.38 0.00 0.00 -0.72 0.00 0.00 41.12 37.70 2hfd n ASP 53 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2hfd n ASN 54 N -1.95 -5.92 0.00 1.67 5.15 -1.26 -4.93 115.26 108.02 2hfd n ASN 54 Ca -0.15 0.68 0.15 0.00 -0.60 0.00 0.00 54.58 54.66 2hfd n ASN 54 Cb 0.60 -3.86 0.76 0.00 -0.53 0.00 0.00 39.78 36.75 2hfd n ASN 54 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2hfd n PRO 55 N 0.09 0.43 -0.09 1.20 -0.04 -1.26 -3.76 135.00 131.57 2hfd n PRO 55 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2hfd n PRO 55 Cb 0.13 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.38 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 0.00 1.18 -0.77 0.52 2.07 -1.95 -2.48 116.25 114.82 2hfd h VAL 56 Ca 0.00 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.02 2hfd h VAL 56 Cb 0.28 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 2hfd h VAL 56 CO 0.00 0.21 0.51 -0.03 0.02 0.00 0.00 177.57 178.28 2hfd h MET 57 N 0.72 0.93 -0.23 1.57 -1.53 -1.95 -0.60 114.93 113.83 2hfd h MET 57 Ca 0.18 -0.06 -0.14 0.00 -3.44 0.00 0.00 59.70 56.24 2hfd h MET 57 Cb 0.11 -0.21 -0.01 0.00 -0.55 0.00 0.00 31.60 30.94 2hfd h MET 57 CO -0.02 0.61 -0.44 0.82 0.14 0.00 0.00 176.91 178.03 2hfd h ILE 58 N 0.96 1.30 -0.21 1.77 1.08 -1.71 -2.37 117.51 118.33 2hfd h ILE 58 Ca 0.30 -1.62 -0.07 0.00 -0.39 0.00 0.00 64.86 63.08 2hfd h ILE 58 Cb 0.03 1.60 -0.00 0.00 -3.07 0.00 0.00 36.82 35.37 2hfd h ILE 58 CO -0.09 0.51 -0.13 1.23 -0.69 0.00 0.00 178.15 178.98 2hfd h GLY 59 N 1.05 0.50 2.00 5.37 0.00 -1.07 -2.72 103.07 108.20 2hfd h GLY 59 Ca 0.03 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 2hfd h GLY 59 CO 0.09 0.43 -0.35 0.83 0.00 0.00 0.00 176.54 177.53 2hfd h GLU 60 N 0.16 0.00 0.46 4.80 4.39 -1.26 -3.09 114.58 120.03 2hfd h GLU 60 Ca 0.04 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 2hfd h GLU 60 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2hfd h GLU 60 CO 0.04 0.35 -0.22 1.25 -1.16 0.00 0.00 179.01 179.27 2hfd h LEU 61 N 0.00 -0.52 -1.95 1.33 5.85 -1.22 -3.09 115.31 115.71 2hfd h LEU 61 Ca -0.00 -0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.84 2hfd h LEU 61 Cb 0.70 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 2hfd h LEU 61 CO 0.05 -0.31 0.50 -0.07 -0.34 0.00 0.00 178.44 178.26 2hfd h LEU 62 N -0.70 0.00 0.00 2.25 4.07 -1.40 -2.09 115.31 117.44 2hfd h LEU 62 Ca -0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.90 2hfd h LEU 62 Cb 0.52 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.26 2hfd h LEU 62 CO 0.10 0.00 0.00 0.54 -1.08 0.00 0.00 178.44 178.00 2hfd n ARG 63 N -3.81 0.00 0.05 1.13 5.12 -1.17 -1.47 116.66 116.51 2hfd n ARG 63 Ca 0.10 0.43 0.13 0.00 -1.93 0.00 0.00 57.85 56.58 2hfd n ARG 63 Cb 0.70 -1.50 0.49 0.00 -1.16 0.00 0.00 32.46 30.99 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 -1.47 0.12 -3.87 5.56 0.28 -0.79 -4.39 120.64 116.09 2hfd n GLU 64 Ca 0.01 0.09 -0.33 0.00 -0.16 0.00 0.00 57.16 56.77 2hfd n GLU 64 Cb 0.03 -1.63 -0.12 0.00 1.43 0.00 0.00 31.44 31.14 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 -3.05 3.39 -2.28 -1.84 0.08 -0.54 -4.91 117.98 108.83 2hfd s PHE 65 Ca 0.12 -2.92 0.23 0.00 0.12 0.00 0.00 56.93 54.49 2hfd s PHE 65 Cb 0.16 -3.01 0.96 0.00 -0.57 0.00 0.00 43.02 40.56 2hfd s PHE 65 CO 0.58 -0.83 1.67 -0.35 -0.10 0.00 0.00 175.22 176.18 2hfd n PRO 66 N 3.58 1.56 0.18 0.24 -0.04 -1.26 -3.86 135.00 135.39 2hfd n PRO 66 Ca 0.05 -0.84 0.05 0.00 -0.04 0.00 0.00 63.50 62.72 2hfd n PRO 66 Cb 0.37 -1.41 0.32 0.00 -0.04 0.00 0.00 33.50 32.74 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 1.79 0.00 -3.70 3.54 1.82 -1.96 -3.41 116.42 114.50 2hfd h ASP 67 Ca 0.00 0.00 -0.50 0.00 -0.39 0.00 0.00 57.03 56.14 2hfd h ASP 67 Cb 0.39 0.00 -0.32 0.00 0.68 0.00 0.00 39.33 40.08 2hfd h ASP 67 CO 0.00 0.40 -0.81 -0.31 -1.61 0.00 0.00 179.24 176.91 2hfd s TYR 68 N -3.64 1.35 -0.63 0.28 2.02 -1.25 -5.09 117.35 110.39 2hfd s TYR 68 Ca -0.00 -0.41 -0.25 0.00 -0.37 0.00 0.00 57.07 56.04 2hfd s TYR 68 Cb 0.11 -0.96 0.05 0.00 -0.40 0.00 0.00 41.96 40.76 2hfd s TYR 68 CO 0.70 -0.18 1.04 0.95 -1.57 0.00 0.00 175.55 176.49 2hfd s THR 69 N 0.32 4.19 -0.01 -0.71 -4.23 -1.26 -4.93 115.64 109.02 2hfd s THR 69 Ca -0.07 0.15 -0.30 0.00 -1.18 0.00 0.00 61.69 60.29 2hfd s THR 69 Cb -0.12 -4.68 -0.08 0.00 1.34 0.00 0.00 72.50 68.96 2hfd s THR 69 CO 0.02 -1.40 1.93 0.26 -0.54 0.00 0.00 174.62 174.88 2hfd s TRP 70 N 4.45 1.41 -0.42 3.99 0.52 -1.26 -4.91 118.94 122.72 2hfd s TRP 70 Ca 0.30 -0.24 -0.12 0.00 0.02 0.00 0.00 56.10 56.06 2hfd s TRP 70 Cb -0.13 -4.16 0.06 0.00 -1.15 0.00 0.00 33.47 28.09 2hfd s TRP 70 CO 0.16 -5.08 0.29 -0.65 0.02 0.00 0.00 176.95 171.69 2hfd s GLN 71 N 4.56 2.83 -0.24 4.98 -0.21 -1.26 -5.04 119.66 125.27 2hfd s GLN 71 Ca 0.86 -1.27 -0.22 0.00 0.02 0.00 0.00 55.36 54.76 2hfd s GLN 71 Cb -0.40 -3.91 -0.02 0.00 1.00 0.00 0.00 33.01 29.69 2hfd s GLN 71 CO 0.39 -0.88 0.69 0.08 -2.12 0.00 0.00 175.29 173.44 2hfd s VAL 72 N 1.56 4.94 -0.14 1.09 1.01 -1.26 -3.19 120.40 124.41 2hfd s VAL 72 Ca 0.03 1.27 -0.04 0.00 0.00 0.00 0.00 61.98 63.24 2hfd s VAL 72 Cb -0.22 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2hfd s VAL 72 CO 0.06 0.01 -0.00 0.00 0.00 0.00 0.00 175.10 175.16 2hfd s ALA 73 N 2.54 3.18 0.03 5.51 0.00 0.67 -2.73 121.76 130.96 2hfd s ALA 73 Ca 0.29 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.52 2hfd s ALA 73 Cb -0.15 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.33 2hfd s ALA 73 CO 0.08 0.32 -0.19 0.96 0.00 0.00 0.00 175.76 176.94 2hfd s ILE 74 N -0.02 1.51 0.23 0.00 -4.36 -0.70 -2.04 121.20 115.81 2hfd s ILE 74 Ca 0.03 -1.06 0.11 0.00 -0.26 0.00 0.00 60.65 59.47 2hfd s ILE 74 Cb -0.13 -1.30 -0.05 0.00 1.25 0.00 0.00 42.46 42.23 2hfd s ILE 74 CO 0.02 0.22 -0.22 0.00 0.24 0.00 0.00 174.94 175.20 2hfd s ALA 75 N -0.72 2.57 1.11 2.27 0.00 -1.25 -0.04 121.76 125.71 2hfd s ALA 75 Ca 0.06 -1.73 -0.13 0.00 0.00 0.00 0.00 51.96 50.17 2hfd s ALA 75 Cb -0.08 -0.29 0.25 0.00 0.00 0.00 0.00 23.12 23.01 2hfd s ALA 75 CO 0.01 0.35 1.05 -0.51 0.00 0.00 0.00 175.76 176.66 2hfd s ASP 76 N -3.02 1.48 0.15 0.00 1.11 -1.26 -4.67 116.67 110.46 2hfd s ASP 76 Ca 0.24 1.42 -0.17 0.00 0.18 0.00 0.00 52.55 54.23 2hfd s ASP 76 Cb -0.06 -2.17 0.01 0.00 1.07 0.00 0.00 42.92 41.77 2hfd s ASP 76 CO 0.12 -3.87 1.80 -0.07 1.18 0.00 0.00 175.17 174.32 2hfd h LEU 77 N -2.40 0.39 -0.50 1.23 3.38 -2.00 0.16 115.31 115.57 2hfd h LEU 77 Ca -0.59 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.36 2hfd h LEU 77 Cb 1.33 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2hfd h LEU 77 CO 0.52 0.28 0.27 -0.33 0.09 0.00 0.00 178.44 179.27 2hfd h GLU 78 N 0.47 0.71 -0.43 1.13 5.08 -1.94 -2.99 114.58 116.61 2hfd h GLU 78 Ca 0.14 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 2hfd h GLU 78 Cb -0.03 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2hfd h GLU 78 CO -0.05 0.56 -0.27 1.96 -1.00 0.00 0.00 179.01 180.22 2hfd h GLN 79 N 0.67 0.92 -0.99 2.33 1.08 -1.82 -2.99 115.11 114.31 2hfd h GLN 79 Ca 0.18 -0.41 0.05 0.00 -1.45 0.00 0.00 58.65 57.01 2hfd h GLN 79 Cb 0.07 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.42 2hfd h GLN 79 CO -0.03 1.07 0.65 0.77 -0.95 0.00 0.00 178.83 180.34 2hfd h SER 80 N 0.78 1.07 -0.13 1.46 0.02 -0.58 0.17 113.55 116.34 2hfd h SER 80 Ca 0.09 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.95 2hfd h SER 80 Cb 0.84 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 2hfd h SER 80 CO 0.07 0.71 -0.19 -0.08 -1.14 0.00 0.00 176.83 176.21 2hfd h GLU 81 N 1.23 0.53 0.06 3.45 4.22 -1.39 -0.25 114.58 122.43 2hfd h GLU 81 Ca 0.41 -0.18 -0.28 0.00 0.08 0.00 0.00 59.36 59.39 2hfd h GLU 81 Cb 0.06 -0.04 0.03 0.00 0.50 0.00 0.00 28.75 29.29 2hfd h GLU 81 CO -0.14 0.69 -1.13 0.00 -2.18 0.00 0.00 179.01 176.25 2hfd h ALA 82 N 1.32 0.05 -0.23 2.92 0.00 -1.18 -2.45 119.26 119.70 2hfd h ALA 82 Ca 0.08 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 2hfd h ALA 82 Cb 0.60 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2hfd h ALA 82 CO 0.04 0.67 0.07 0.82 0.00 0.00 0.00 179.25 180.85 2hfd h ILE 83 N 0.31 1.20 -0.56 0.00 2.04 -0.54 -2.34 117.51 117.62 2hfd h ILE 83 Ca -0.16 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.09 2hfd h ILE 83 Cb 1.80 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 39.02 2hfd h ILE 83 CO 0.22 0.20 0.36 1.23 0.00 0.00 0.00 178.15 180.16 2hfd h GLY 84 N 0.20 0.79 1.01 5.37 0.00 -1.12 -2.87 103.07 106.45 2hfd h GLY 84 Ca 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2hfd h GLY 84 CO -0.00 0.27 0.49 -1.80 0.00 0.00 0.00 176.54 175.50 2hfd h ASP 85 N 0.73 0.91 -0.17 0.19 1.82 -1.30 0.37 116.42 118.97 2hfd h ASP 85 Ca 0.21 -0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.80 2hfd h ASP 85 Cb -0.05 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.72 2hfd h ASP 85 CO -0.06 0.68 0.08 -0.09 -1.61 0.00 0.00 179.24 178.24 2hfd h ARG 86 N 1.05 0.30 0.00 0.28 2.43 -1.20 -3.25 114.38 113.99 2hfd h ARG 86 Ca 0.28 -0.03 -0.41 0.00 -0.81 0.00 0.00 59.98 59.01 2hfd h ARG 86 Cb -0.09 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.33 2hfd h ARG 86 CO -0.06 0.26 -2.47 0.34 -1.51 0.00 0.00 179.97 176.53 2hfd n PHE 87 N -4.44 0.00 0.00 2.20 7.35 -0.94 -5.03 117.46 116.60 2hfd n PHE 87 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2hfd n PHE 87 Cb 0.12 -0.97 0.00 0.00 0.35 0.00 0.00 39.48 38.98 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 1.93 0.98 3.80 7.13 0.00 0.12 -5.13 105.19 114.02 2hfd n GLY 88 Ca -0.48 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.53 4.47 0.71 1.61 1.01 -0.38 -5.03 120.40 121.26 2hfd s VAL 89 Ca 0.00 1.48 -0.11 0.00 0.00 0.00 0.00 61.98 63.35 2hfd s VAL 89 Cb 0.00 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.43 2hfd s VAL 89 CO 0.00 0.31 1.07 -0.36 0.00 0.00 0.00 175.10 176.12 2hfd s PHE 90 N -1.41 2.97 -1.13 5.22 0.08 -1.26 -4.77 117.98 117.68 2hfd s PHE 90 Ca 0.41 1.46 -0.19 0.00 0.12 0.00 0.00 56.93 58.73 2hfd s PHE 90 Cb -0.19 -2.93 0.10 0.00 -0.57 0.00 0.00 43.02 39.43 2hfd s PHE 90 CO 0.23 -1.38 1.48 -0.98 -0.10 0.00 0.00 175.22 174.46 2hfd s ARG 91 N -4.97 3.82 -0.14 0.44 1.70 -1.26 -4.87 118.95 113.67 2hfd s ARG 91 Ca 0.59 -1.82 -0.30 0.00 -0.47 0.00 0.00 55.73 53.73 2hfd s ARG 91 Cb -0.15 -5.27 0.13 0.00 -0.57 0.00 0.00 34.95 29.08 2hfd s ARG 91 CO 0.55 -2.05 1.00 -0.59 -1.08 0.00 0.00 175.30 173.13 2hfd s PHE 92 N 3.61 -0.34 0.01 5.89 -0.12 -1.22 -4.38 117.98 121.43 2hfd s PHE 92 Ca 0.45 0.49 -0.30 0.00 -0.05 0.00 0.00 56.93 57.52 2hfd s PHE 92 Cb -0.00 0.47 -0.05 0.00 -0.63 0.00 0.00 43.02 42.81 2hfd s PHE 92 CO -0.02 -0.36 1.34 -2.14 -0.05 0.00 0.00 175.22 173.99 2hfd s PRO 93 N -1.59 4.32 0.26 1.99 0.02 -1.26 -4.43 135.00 134.32 2hfd s PRO 93 Ca 0.01 1.91 -0.21 0.00 0.02 0.00 0.00 61.00 62.72 2hfd s PRO 93 Cb -0.01 -3.50 0.03 0.00 0.02 0.00 0.00 34.50 31.04 2hfd s PRO 93 CO -0.01 -0.50 0.70 0.00 -0.33 0.00 0.00 177.00 176.86 2hfd s ALA 94 N 2.04 -1.25 -0.27 -1.55 0.00 -0.96 -4.69 121.76 115.07 2hfd s ALA 94 Ca 0.62 -0.22 -0.10 0.00 0.00 0.00 0.00 51.96 52.25 2hfd s ALA 94 Cb -0.31 0.86 -0.05 0.00 0.00 0.00 0.00 23.12 23.62 2hfd s ALA 94 CO 0.26 -1.00 0.17 0.99 0.00 0.00 0.00 175.76 176.18 2hfd s THR 95 N -3.90 5.17 -0.26 0.00 2.01 -0.89 -1.80 115.64 115.97 2hfd s THR 95 Ca 0.10 0.12 -0.16 0.00 0.31 0.00 0.00 61.69 62.07 2hfd s THR 95 Cb -0.05 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 2hfd s THR 95 CO 0.05 0.27 0.41 -0.76 -0.69 0.00 0.00 174.62 173.89 2hfd s LEU 96 N 1.71 4.05 -0.24 4.42 1.43 0.10 -0.28 118.68 129.87 2hfd s LEU 96 Ca 0.07 0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 53.45 2hfd s LEU 96 Cb -0.16 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 2hfd s LEU 96 CO 0.10 -0.20 0.08 0.54 0.23 0.00 0.00 176.35 177.10 2hfd s VAL 97 N 2.07 4.53 0.46 -1.59 0.11 -0.80 -1.10 120.40 124.09 2hfd s VAL 97 Ca 0.17 -0.10 0.06 0.00 -2.93 0.00 0.00 61.98 59.17 2hfd s VAL 97 Cb -0.16 -3.11 0.06 0.00 -1.53 0.00 0.00 36.38 31.64 2hfd s VAL 97 CO 0.10 0.36 0.47 0.49 -3.33 0.00 0.00 175.10 173.19 2hfd n PHE 98 N 4.59 -1.44 -3.53 1.54 3.01 0.18 -0.83 117.46 120.99 2hfd n PHE 98 Ca -0.16 -1.84 -0.02 0.00 1.01 0.00 0.00 57.45 56.44 2hfd n PHE 98 Cb 0.52 -0.40 -0.00 0.00 -0.01 0.00 0.00 39.48 39.58 2hfd n PHE 98 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 2hfd n THR 99 N -1.76 0.00 -1.56 4.37 -1.04 0.32 -4.62 114.28 109.99 2hfd n THR 99 Ca 0.05 -0.25 -0.17 0.00 -2.04 0.00 0.00 64.05 61.63 2hfd n THR 99 Cb 0.51 0.17 -0.07 0.00 -1.82 0.00 0.00 70.33 69.11 2hfd n THR 99 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2hfd n GLY 100 N -0.09 -0.11 2.38 3.41 0.00 -0.66 -1.81 105.19 108.31 2hfd n GLY 100 Ca -0.00 0.37 -0.15 0.00 0.00 0.00 0.00 46.02 46.24 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 6.63 0.75 3.24 -0.02 0.00 -1.26 -4.99 105.19 109.54 2hfd n GLY 101 Ca 0.46 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.60 1.71 -0.26 1.61 0.02 -0.75 -5.13 114.94 109.54 2hfd s ASN 102 Ca 0.00 -0.99 0.01 0.00 -1.02 0.00 0.00 52.86 50.86 2hfd s ASN 102 Cb 0.00 -0.00 0.05 0.00 0.02 0.00 0.00 41.25 41.32 2hfd s ASN 102 CO 0.00 -0.33 -0.08 -0.47 0.02 0.00 0.00 177.10 176.24 2hfd s TYR 103 N -3.22 3.18 -0.02 2.20 5.04 -1.26 -0.52 117.35 122.74 2hfd s TYR 103 Ca 0.15 -2.00 0.07 0.00 -2.44 0.00 0.00 57.07 52.85 2hfd s TYR 103 Cb 0.02 -2.00 -0.24 0.00 0.35 0.00 0.00 41.96 40.09 2hfd s TYR 103 CO 0.00 -0.83 0.73 -0.09 -1.34 0.00 0.00 175.55 174.03 2hfd h ARG 104 N 7.89 0.08 0.00 4.97 9.65 -1.24 -3.42 114.38 132.31 2hfd h ARG 104 Ca -0.25 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.50 2hfd h ARG 104 Cb 1.07 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 2hfd h ARG 104 CO 0.52 0.76 0.00 0.41 2.80 0.00 0.00 179.97 184.46 2hfd n GLY 105 N 1.61 -1.26 3.06 2.80 0.00 -1.12 -4.60 105.19 105.68 2hfd n GLY 105 Ca -0.17 -1.32 -0.24 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.76 1.16 -0.53 1.61 1.01 -1.26 -1.91 120.40 117.72 2hfd s VAL 106 Ca 0.00 -0.54 -0.18 0.00 0.00 0.00 0.00 61.98 61.25 2hfd s VAL 106 Cb 0.00 -1.03 0.08 0.00 0.00 0.00 0.00 36.38 35.43 2hfd s VAL 106 CO 0.00 0.35 0.62 -0.76 0.00 0.00 0.00 175.10 175.31 2hfd s LEU 107 N 0.30 5.22 -0.15 3.92 1.43 0.61 -4.95 118.68 125.06 2hfd s LEU 107 Ca -0.07 -1.16 -0.04 0.00 -1.03 0.00 0.00 54.13 51.83 2hfd s LEU 107 Cb -0.12 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 2hfd s LEU 107 CO 0.02 -0.93 -0.03 0.21 0.23 0.00 0.00 176.35 175.85 2hfd s ASN 108 N 3.01 4.89 0.00 2.29 2.47 -1.26 -2.10 114.94 124.23 2hfd s ASN 108 Ca 0.12 -0.10 0.00 0.00 0.42 0.00 0.00 52.86 53.31 2hfd s ASN 108 Cb -0.22 -1.77 0.00 0.00 -1.45 0.00 0.00 41.25 37.81 2hfd s ASN 108 CO 0.09 0.18 0.00 0.61 -3.72 0.00 0.00 177.10 174.26 2hfd n GLY 109 N 3.44 -1.79 0.65 1.21 0.00 -1.26 -4.91 105.19 102.53 2hfd n GLY 109 Ca -0.17 -1.89 -0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 0.06 -0.77 -0.61 2.08 -1.26 -4.96 119.36 113.90 2hfd n ILE 110 Ca 0.00 0.18 0.00 0.00 0.56 0.00 0.00 62.75 63.49 2hfd n ILE 110 Cb 0.00 -1.21 0.00 0.00 -0.75 0.00 0.00 39.64 37.68 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 -2.56 -2.13 -0.73 1.39 8.25 -1.26 -4.80 115.22 113.38 2hfd n HIS 111 Ca -0.00 1.14 -0.32 0.00 -0.26 0.00 0.00 57.72 58.28 2hfd n HIS 111 Cb 0.01 -2.16 0.16 0.00 1.12 0.00 0.00 29.99 29.12 2hfd n HIS 111 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2hfd n PRO 112 N -1.30 -0.38 -0.27 -0.41 -0.02 -1.26 -4.69 135.00 126.66 2hfd n PRO 112 Ca 0.00 -0.05 0.03 0.00 -2.02 0.00 0.00 63.50 61.47 2hfd n PRO 112 Cb 0.08 -2.28 0.17 0.00 -0.02 0.00 0.00 33.50 31.45 2hfd n PRO 112 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 2hfd h TRP 113 N -1.76 0.73 -0.09 6.00 -0.00 -1.98 -0.47 115.95 118.37 2hfd h TRP 113 Ca -0.43 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.49 2hfd h TRP 113 Cb 1.27 -0.21 -0.00 0.00 -0.00 0.00 0.00 29.16 30.22 2hfd h TRP 113 CO 0.47 0.24 0.06 0.00 -0.00 0.00 0.00 178.44 179.22 2hfd h ALA 114 N 1.47 0.11 0.00 2.65 0.00 -2.00 -1.58 119.26 119.91 2hfd h ALA 114 Ca 0.39 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 2hfd h ALA 114 Cb 0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2hfd h ALA 114 CO -0.29 -0.38 -0.40 0.93 0.00 0.00 0.00 179.25 179.11 2hfd h GLU 115 N 0.10 0.00 -0.22 0.00 3.07 -1.83 -2.27 114.58 113.43 2hfd h GLU 115 Ca 0.03 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 2hfd h GLU 115 Cb 0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 2hfd h GLU 115 CO -0.01 0.40 0.10 1.25 -1.40 0.00 0.00 179.01 179.35 2hfd h LEU 116 N 0.00 0.29 -0.39 1.33 7.12 -0.52 0.22 115.31 123.36 2hfd h LEU 116 Ca -0.00 -0.14 -0.00 0.00 0.13 0.00 0.00 57.88 57.86 2hfd h LEU 116 Cb 0.93 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.97 2hfd h LEU 116 CO 0.05 0.35 0.24 0.40 -0.13 0.00 0.00 178.44 179.35 2hfd h ILE 117 N 0.21 1.13 0.17 4.05 2.04 -1.20 -1.85 117.51 122.05 2hfd h ILE 117 Ca 0.07 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.66 2hfd h ILE 117 Cb 0.14 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 2hfd h ILE 117 CO -0.01 0.13 -0.45 -1.13 0.00 0.00 0.00 178.15 176.69 2hfd h ASN 118 N 0.52 -1.33 -0.81 1.72 -1.24 -0.99 -1.10 115.58 112.35 2hfd h ASN 118 Ca 0.14 0.14 0.04 0.00 0.71 0.00 0.00 56.30 57.33 2hfd h ASN 118 Cb -0.00 0.49 -0.05 0.00 0.73 0.00 0.00 38.32 39.49 2hfd h ASN 118 CO -0.03 -0.53 0.51 -0.07 -1.29 0.00 0.00 177.43 176.02 2hfd h LEU 119 N -0.72 0.82 -0.06 0.34 3.38 -0.54 0.31 115.31 118.85 2hfd h LEU 119 Ca 0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2hfd h LEU 119 Cb 0.72 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2hfd h LEU 119 CO -0.23 0.55 -0.06 -0.03 0.09 0.00 0.00 178.44 178.77 2hfd h MET 120 N 0.97 -0.07 -0.09 1.13 4.05 -0.94 -0.69 114.93 119.28 2hfd h MET 120 Ca 0.33 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.65 2hfd h MET 120 Cb 0.06 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 2hfd h MET 120 CO -0.13 -0.05 -0.41 0.00 0.23 0.00 0.00 176.91 176.55 2hfd h ARG 121 N -0.07 0.20 0.00 0.39 3.08 -0.80 0.22 114.38 117.40 2hfd h ARG 121 Ca 0.04 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2hfd h ARG 121 Cb 0.14 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 2hfd h ARG 121 CO -0.10 0.58 -0.04 0.78 -1.07 0.00 0.00 179.97 180.12 2hfd h GLY 122 N 1.22 0.00 0.11 0.04 0.00 0.27 -2.46 103.07 102.26 2hfd h GLY 122 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.97 2hfd h GLY 122 CO 0.06 0.00 -2.13 1.04 0.00 0.00 0.00 176.54 175.51 2hfd n LEU 123 N -4.48 2.29 0.20 3.11 4.77 -0.33 -4.46 117.00 118.10 2hfd n LEU 123 Ca -0.03 0.23 0.06 0.00 -0.03 0.00 0.00 56.01 56.24 2hfd n LEU 123 Cb 0.12 -0.93 0.37 0.00 -2.33 0.00 0.00 43.42 40.65 2hfd n LEU 123 CO 0.34 0.64 0.71 1.62 -1.33 0.00 0.00 177.39 179.37 2hfd h VAL 124 N -0.58 0.85 0.25 4.08 3.04 -0.62 -3.26 116.25 120.01 2hfd h VAL 124 Ca -0.54 -1.42 -0.01 0.00 -1.01 0.00 0.00 66.70 63.72 2hfd h VAL 124 Cb 1.68 1.87 0.00 0.00 -2.01 0.00 0.00 31.29 32.83 2hfd h VAL 124 CO -0.21 0.34 -0.12 -0.08 -1.01 0.00 0.00 177.57 176.50 2hfd h GLU 125 N 0.00 -0.32 -7.16 4.17 4.81 -1.65 -3.44 114.58 110.99 2hfd h GLU 125 Ca -0.00 0.02 -0.49 0.00 -0.13 0.00 0.00 59.36 58.76 2hfd h GLU 125 Cb 0.84 0.07 0.06 0.00 0.63 0.00 0.00 28.75 30.35 2hfd h GLU 125 CO 0.05 0.04 0.38 -2.14 -0.73 0.00 0.00 179.01 176.61 2hfd s PRO 126 N -4.23 3.38 0.00 0.92 0.02 -1.23 -4.96 135.00 128.89 2hfd s PRO 126 Ca -0.14 1.30 0.27 0.00 0.02 0.00 0.00 61.00 62.45 2hfd s PRO 126 Cb 0.02 -2.04 0.81 0.00 0.02 0.00 0.00 34.50 33.32 2hfd s PRO 126 CO 0.52 -0.78 1.61 1.04 -0.33 0.00 0.00 177.00 179.07 2hfd n GLN 127 N -1.76 1.56 -3.59 5.54 6.02 -1.26 -4.92 117.38 118.97 2hfd n GLN 127 Ca 0.09 -1.00 -0.20 0.00 -0.01 0.00 0.00 57.00 55.87 2hfd n GLN 127 Cb 0.52 -1.48 0.06 0.00 1.02 0.00 0.00 30.24 30.37 2hfd n GLN 127 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2hfd n GLN 128 N 0.16 -6.02 -2.61 -1.09 1.13 -1.26 -4.70 117.38 102.98 2hfd n GLN 128 Ca 0.16 0.74 -0.41 0.00 -1.94 0.00 0.00 57.00 55.55 2hfd n GLN 128 Cb 0.39 -5.57 -0.03 0.00 0.11 0.00 0.00 30.24 25.14 2hfd n GLN 128 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2hfd s GLU 129 N -5.80 3.37 0.00 -1.09 2.12 -1.26 -4.06 118.70 111.98 2hfd s GLU 129 Ca 0.11 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.70 2hfd s GLU 129 Cb -0.05 -4.70 0.00 0.00 0.26 0.00 0.00 34.13 29.64 2hfd s GLU 129 CO 0.77 -2.12 0.00 -2.13 -0.54 0.00 0.00 175.26 171.24 2hfd n ARG 130 N 8.85 0.00 -4.29 4.30 0.63 -1.26 -5.16 116.66 119.73 2hfd n ARG 130 Ca 0.16 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.93 2hfd n ARG 130 Cb 0.49 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.30 2hfd n ARG 130 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2hfd s ALA 131 N -0.97 1.65 0.00 5.13 0.00 -1.26 -5.32 121.76 120.99 2hfd s ALA 131 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.33 2hfd s ALA 131 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.35 2hfd s ALA 131 CO 0.00 -0.15 0.00 0.45 0.00 0.00 0.00 175.76 176.06