#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 1.82 -4.52 7.83 2.88 -1.26 -4.82 113.62 115.55 2hfd n SER 2 Ca 0.00 0.30 -0.43 0.00 -1.33 0.00 0.00 58.87 57.42 2hfd n SER 2 Cb 0.00 -0.70 -0.04 0.00 -0.75 0.00 0.00 64.21 62.72 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 -5.86 6.35 0.29 -3.46 2.47 -1.26 -5.02 114.94 108.45 2hfd s ASN 3 Ca -0.26 -0.33 -0.28 0.00 0.42 0.00 0.00 52.86 52.41 2hfd s ASN 3 Cb 0.04 -2.42 -0.09 0.00 -1.45 0.00 0.00 41.25 37.32 2hfd s ASN 3 CO 0.38 -1.16 1.01 -0.62 -3.72 0.00 0.00 177.10 172.99 2hfd s ASP 4 N 2.72 7.34 0.07 -4.21 2.15 -1.26 -4.81 116.67 118.67 2hfd s ASP 4 Ca 0.30 2.05 0.00 0.00 0.43 0.00 0.00 52.55 55.33 2hfd s ASP 4 Cb -0.13 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 2hfd s ASP 4 CO 0.20 -0.07 0.00 0.41 -0.17 0.00 0.00 175.17 175.53 2hfd n THR 5 N 1.01 0.00 -0.01 1.71 -1.04 -1.26 -4.87 114.28 109.82 2hfd n THR 5 Ca -0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 2hfd n THR 5 Cb 0.47 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.87 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 0.25 -0.47 -2.82 0.11 -1.99 -2.49 132.00 124.59 2hfd h PRO 6 Ca 0.00 -0.28 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 2hfd h PRO 6 Cb 0.00 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 2hfd h PRO 6 CO 0.00 1.00 0.15 0.35 -0.21 0.00 0.00 178.00 179.29 2hfd h PHE 7 N -0.38 0.74 -0.33 0.65 3.57 -1.95 0.17 116.94 119.41 2hfd h PHE 7 Ca -0.05 -0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.45 2hfd h PHE 7 Cb 1.14 -0.22 -0.08 0.00 2.79 0.00 0.00 35.95 39.58 2hfd h PHE 7 CO 0.17 0.65 -0.23 0.22 -2.23 0.00 0.00 178.31 176.89 2hfd h ASP 8 N 0.61 -0.76 -0.05 0.41 3.58 -1.90 0.38 116.42 118.69 2hfd h ASP 8 Ca 0.15 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.75 2hfd h ASP 8 Cb 0.25 0.38 -0.00 0.00 1.72 0.00 0.00 39.33 41.68 2hfd h ASP 8 CO -0.01 -0.26 0.03 0.00 -2.88 0.00 0.00 179.24 176.13 2hfd h ALA 9 N 0.95 0.07 -0.47 -0.78 0.00 -1.03 0.12 119.26 118.12 2hfd h ALA 9 Ca 0.17 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.13 2hfd h ALA 9 Cb 0.45 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2hfd h ALA 9 CO -0.44 -0.44 0.20 -0.07 0.00 0.00 0.00 179.25 178.49 2hfd h LEU 10 N 0.07 0.25 -0.30 0.00 -0.00 -0.20 -1.58 115.31 113.55 2hfd h LEU 10 Ca 0.02 0.04 -0.05 0.00 -0.00 0.00 0.00 57.88 57.89 2hfd h LEU 10 Cb -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.64 2hfd h LEU 10 CO -0.00 0.18 0.01 -0.25 -0.00 0.00 0.00 178.44 178.37 2hfd h TRP 11 N 0.40 0.57 -1.00 1.13 7.01 -0.01 -2.72 115.95 121.33 2hfd h TRP 11 Ca 0.22 -0.10 0.10 0.00 2.11 0.00 0.00 58.89 61.22 2hfd h TRP 11 Cb 0.18 -0.15 -0.08 0.00 -2.10 0.00 0.00 29.16 27.01 2hfd h TRP 11 CO -0.13 0.65 0.63 1.96 -2.79 0.00 0.00 178.44 178.76 2hfd h GLN 12 N 0.32 1.02 0.40 2.65 1.08 -0.46 0.21 115.11 120.34 2hfd h GLN 12 Ca 0.09 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 2hfd h GLN 12 Cb 0.42 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 2hfd h GLN 12 CO 0.01 0.67 -0.19 0.00 -0.95 0.00 0.00 178.83 178.37 2hfd h ARG 13 N 1.05 -0.52 -0.26 1.46 2.47 -1.02 -2.11 114.38 115.45 2hfd h ARG 13 Ca 0.47 0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 59.19 2hfd h ARG 13 Cb 0.38 0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 2hfd h ARG 13 CO -0.23 -0.34 -0.00 0.52 0.56 0.00 0.00 179.97 180.47 2hfd h MET 14 N -0.56 0.40 -0.00 0.04 2.86 -1.14 -2.50 114.93 114.03 2hfd h MET 14 Ca -0.06 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 2hfd h MET 14 Cb 0.42 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 2hfd h MET 14 CO 0.09 0.43 -0.16 -0.07 1.06 0.00 0.00 176.91 178.26 2hfd h LEU 15 N 0.39 0.00 -2.08 1.22 -0.00 -0.24 -2.12 115.31 112.49 2hfd h LEU 15 Ca 0.09 -0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.97 2hfd h LEU 15 Cb 0.26 -0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.92 2hfd h LEU 15 CO 0.01 0.16 -0.00 0.00 -0.00 0.00 0.00 178.44 178.61 2hfd h ALA 16 N 1.84 1.92 0.00 1.53 0.00 -0.91 -0.52 119.26 123.12 2hfd h ALA 16 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hfd h ALA 16 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2hfd h ALA 16 CO 0.02 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.81 2hfd n ARG 17 N -4.42 0.21 -0.48 0.00 5.12 -0.80 -4.87 116.66 111.41 2hfd n ARG 17 Ca -0.03 0.08 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 2hfd n ARG 17 Cb 0.09 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.89 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 0.78 0.70 3.70 -0.13 0.00 -0.20 -5.04 105.19 105.01 2hfd n GLY 18 Ca 0.09 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 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 3.43 -0.04 1.61 0.51 -1.25 -5.00 118.94 116.20 2hfd s TRP 19 Ca 0.00 1.41 -0.27 0.00 -2.12 0.00 0.00 56.10 55.12 2hfd s TRP 19 Cb 0.00 -3.32 -0.03 0.00 -0.81 0.00 0.00 33.47 29.31 2hfd s TRP 19 CO 0.00 -0.84 0.85 0.99 -0.51 0.00 0.00 176.95 177.44 2hfd s THR 20 N 1.49 4.95 0.13 2.01 2.01 -1.26 -4.72 115.64 120.25 2hfd s THR 20 Ca 0.55 1.78 -0.31 0.00 0.31 0.00 0.00 61.69 64.02 2hfd s THR 20 Cb -0.25 -4.19 -0.09 0.00 0.01 0.00 0.00 72.50 67.98 2hfd s THR 20 CO 0.25 0.19 1.55 -2.16 -0.69 0.00 0.00 174.62 173.76 2hfd s PRO 21 N 0.97 4.23 0.01 4.92 0.04 -1.26 -3.01 135.00 140.91 2hfd s PRO 21 Ca 0.45 2.29 0.05 0.00 0.04 0.00 0.00 61.00 63.83 2hfd s PRO 21 Cb -0.19 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.04 2hfd s PRO 21 CO 0.23 -0.60 -0.13 0.54 0.04 0.00 0.00 177.00 177.08 2hfd s VAL 22 N 1.48 3.19 0.39 -0.36 0.11 0.40 -4.92 120.40 120.69 2hfd s VAL 22 Ca 0.70 -0.95 0.08 0.00 -2.93 0.00 0.00 61.98 58.88 2hfd s VAL 22 Cb -0.41 -2.35 -0.03 0.00 -1.53 0.00 0.00 36.38 32.05 2hfd s VAL 22 CO 0.31 0.40 0.26 -0.94 -3.33 0.00 0.00 175.10 171.80 2hfd s SER 23 N -1.33 4.85 0.23 3.54 1.04 -1.26 -4.22 113.70 116.54 2hfd s SER 23 Ca 0.15 -0.79 -0.06 0.00 0.48 0.00 0.00 55.95 55.73 2hfd s SER 23 Cb -0.11 -0.65 0.21 0.00 0.10 0.00 0.00 66.02 65.57 2hfd s SER 23 CO 0.06 -0.50 1.80 -0.08 0.98 0.00 0.00 173.24 175.49 2hfd h GLU 24 N 1.28 1.15 0.00 4.02 4.22 -1.96 0.88 114.58 124.16 2hfd h GLU 24 Ca -0.43 -0.20 0.00 0.00 0.08 0.00 0.00 59.36 58.81 2hfd h GLU 24 Cb 1.26 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2hfd h GLU 24 CO 0.62 0.93 0.00 1.03 -2.18 0.00 0.00 179.01 179.41 2hfd h SER 25 N 1.12 0.00 0.05 1.04 0.87 -1.98 -3.01 113.55 111.64 2hfd h SER 25 Ca 0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2hfd h SER 25 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2hfd h SER 25 CO -0.02 0.00 -0.91 -1.14 -0.53 0.00 0.00 176.83 174.22 2hfd n ARG 26 N -2.51 0.08 -0.11 2.24 3.00 -0.61 -4.08 116.66 114.67 2hfd n ARG 26 Ca 0.04 -0.06 0.03 0.00 -0.00 0.00 0.00 57.85 57.86 2hfd n ARG 26 Cb 0.41 -1.50 0.35 0.00 0.00 0.00 0.00 32.46 31.72 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 0.15 0.64 -0.36 6.15 7.12 -0.72 0.75 115.31 129.04 2hfd h LEU 27 Ca 0.00 -0.01 -0.03 0.00 0.13 0.00 0.00 57.88 57.97 2hfd h LEU 27 Cb 0.51 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.47 2hfd h LEU 27 CO 0.00 0.46 0.10 -0.78 -0.13 0.00 0.00 178.44 178.09 2hfd h ASP 28 N 0.76 0.53 0.51 1.25 1.82 -1.75 0.85 116.42 120.39 2hfd h ASP 28 Ca 0.22 -0.22 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 2hfd h ASP 28 Cb -0.03 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 39.85 2hfd h ASP 28 CO -0.05 0.61 -0.24 -0.78 -1.61 0.00 0.00 179.24 177.16 2hfd h ASP 29 N 0.43 -0.58 -0.95 2.28 3.58 -1.49 -2.17 116.42 117.51 2hfd h ASP 29 Ca 0.11 0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.62 2hfd h ASP 29 Cb 0.27 0.15 -0.06 0.00 1.72 0.00 0.00 39.33 41.41 2hfd h ASP 29 CO -0.00 -0.39 0.62 -0.25 -2.88 0.00 0.00 179.24 176.34 2hfd h TRP 30 N -0.71 1.14 0.00 0.28 2.91 -0.87 -1.35 115.95 117.35 2hfd h TRP 30 Ca -0.07 0.03 -0.06 0.00 1.13 0.00 0.00 58.89 59.92 2hfd h TRP 30 Cb 0.54 -0.38 -0.01 0.00 -0.51 0.00 0.00 29.16 28.80 2hfd h TRP 30 CO -0.03 0.62 -0.27 1.25 -1.03 0.00 0.00 178.44 178.97 2hfd h LEU 31 N 1.14 0.00 0.00 0.65 5.85 -0.52 0.29 115.31 122.72 2hfd h LEU 31 Ca 0.40 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.94 2hfd h LEU 31 Cb 0.12 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2hfd h LEU 31 CO -0.14 0.27 -1.36 0.00 -0.34 0.00 0.00 178.44 176.87 2hfd h THR 32 N 0.00 0.59 0.18 1.05 1.03 -0.81 -3.37 112.91 111.57 2hfd h THR 32 Ca -0.00 -2.12 -0.26 0.00 -0.01 0.00 0.00 66.41 64.03 2hfd h THR 32 Cb 0.54 2.12 0.02 0.00 -1.07 0.00 0.00 68.15 69.76 2hfd h THR 32 CO 0.04 0.34 -1.15 1.56 -0.01 0.00 0.00 175.52 176.29 2hfd h GLN 33 N 0.00 0.38 -6.65 0.00 1.08 -0.78 -3.46 115.11 105.69 2hfd h GLN 33 Ca -0.16 -0.66 -0.50 0.00 -1.45 0.00 0.00 58.65 55.89 2hfd h GLN 33 Cb 1.62 0.24 0.01 0.00 -0.05 0.00 0.00 27.48 29.30 2hfd h GLN 33 CO 0.05 1.31 -0.06 0.00 -0.95 0.00 0.00 178.83 179.19 2hfd s ALA 34 N -2.50 3.55 0.00 3.87 0.00 0.98 -5.05 121.76 122.62 2hfd s ALA 34 Ca -0.13 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.24 2hfd s ALA 34 Cb 0.03 -2.38 -0.01 0.00 0.00 0.00 0.00 23.12 20.76 2hfd s ALA 34 CO 0.87 0.01 0.67 -1.35 0.00 0.00 0.00 175.76 175.96 2hfd h PRO 35 N 1.08 -0.07 0.00 0.00 0.11 -1.83 -3.43 132.00 127.86 2hfd h PRO 35 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2hfd h PRO 35 Cb 1.20 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2hfd h PRO 35 CO 0.64 -0.04 0.00 -0.25 -0.21 0.00 0.00 178.00 178.13 2hfd n ASP 36 N -2.26 0.00 -0.01 -2.05 8.00 -1.26 -4.60 116.55 114.37 2hfd n ASP 36 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2hfd n ASP 36 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 2hfd n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hfd n GLY 37 N 1.41 -1.89 3.07 0.44 0.00 -1.26 -4.80 105.19 102.15 2hfd n GLY 37 Ca 0.00 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.51 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 0.56 -0.07 1.61 -7.23 -1.24 -2.90 120.40 111.13 2hfd s VAL 38 Ca 0.00 -1.15 0.01 0.00 -1.81 0.00 0.00 61.98 59.03 2hfd s VAL 38 Cb 0.00 -0.70 0.02 0.00 0.56 0.00 0.00 36.38 36.26 2hfd s VAL 38 CO 0.00 -0.42 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.59 2hfd s VAL 39 N -1.55 1.00 -0.19 1.32 1.01 -0.29 -2.26 120.40 119.44 2hfd s VAL 39 Ca -0.08 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 2hfd s VAL 39 Cb -0.09 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 2hfd s VAL 39 CO 0.00 0.34 0.11 -0.76 0.00 0.00 0.00 175.10 174.79 2hfd s LEU 40 N 1.01 4.12 0.13 3.92 1.02 -1.13 -1.25 118.68 126.50 2hfd s LEU 40 Ca -0.08 0.22 -0.11 0.00 0.02 0.00 0.00 54.13 54.17 2hfd s LEU 40 Cb -0.15 -2.05 -0.09 0.00 0.02 0.00 0.00 46.19 43.93 2hfd s LEU 40 CO -0.00 0.21 1.39 -0.07 0.02 0.00 0.00 176.35 177.90 2hfd h LEU 41 N 6.47 0.94 0.00 1.79 3.38 -1.85 -3.14 115.31 122.91 2hfd h LEU 41 Ca -0.42 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.02 2hfd h LEU 41 Cb 1.16 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2hfd h LEU 41 CO 0.72 1.33 0.00 -1.20 0.09 0.00 0.00 178.44 179.38 2hfd n SER 42 N -3.98 -1.24 -1.01 -0.43 7.64 -1.26 -4.63 113.62 108.70 2hfd n SER 42 Ca -0.05 0.29 -0.00 0.00 1.01 0.00 0.00 58.87 60.12 2hfd n SER 42 Cb 0.66 1.45 -0.00 0.00 -1.01 0.00 0.00 64.21 65.30 2hfd n SER 42 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2hfd n SER 43 N -2.82 -0.01 -3.69 6.43 7.64 -1.26 -4.91 113.62 115.00 2hfd n SER 43 Ca 0.00 -1.01 -0.28 0.00 1.01 0.00 0.00 58.87 58.60 2hfd n SER 43 Cb 0.00 0.01 -0.11 0.00 -1.01 0.00 0.00 64.21 63.10 2hfd n SER 43 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2hfd s ASP 44 N -1.01 3.39 -0.08 6.43 -1.08 -1.26 -2.49 116.67 120.56 2hfd s ASP 44 Ca 0.00 -3.46 -0.19 0.00 -0.52 0.00 0.00 52.55 48.39 2hfd s ASP 44 Cb -0.00 -1.12 -0.04 0.00 -1.46 0.00 0.00 42.92 40.30 2hfd s ASP 44 CO 0.00 -0.13 0.52 -2.16 0.52 0.00 0.00 175.17 173.92 2hfd s PRO 45 N -0.72 4.32 0.23 4.34 0.04 -1.26 -4.06 135.00 137.88 2hfd s PRO 45 Ca 0.27 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.87 2hfd s PRO 45 Cb -0.03 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2hfd s PRO 45 CO -0.17 0.22 0.00 1.17 0.04 0.00 0.00 177.00 178.27 2hfd n LYS 46 N 3.38 0.00 -0.03 4.56 0.00 -1.26 -4.64 118.16 120.17 2hfd n LYS 46 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.21 2hfd n LYS 46 Cb 0.51 -0.09 -0.06 0.00 0.00 0.00 0.00 35.03 35.39 2hfd n LYS 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2hfd n ARG 47 N -3.37 2.61 -3.05 1.64 3.00 -1.26 -4.99 116.66 111.23 2hfd n ARG 47 Ca 0.00 -0.01 -0.39 0.00 -0.00 0.00 0.00 57.85 57.45 2hfd n ARG 47 Cb 0.01 -1.19 -0.05 0.00 0.00 0.00 0.00 32.46 31.23 2hfd n ARG 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2hfd s THR 48 N -2.20 4.70 -1.88 5.15 2.01 -1.26 -4.93 115.64 117.23 2hfd s THR 48 Ca -0.04 1.53 0.22 0.00 0.31 0.00 0.00 61.69 63.72 2hfd s THR 48 Cb 0.02 -4.07 0.58 0.00 0.01 0.00 0.00 72.50 69.04 2hfd s THR 48 CO 0.30 0.42 1.70 -0.81 -0.69 0.00 0.00 174.62 175.53 2hfd n PRO 49 N 2.50 0.61 -1.39 4.92 -0.04 -1.26 -4.61 135.00 135.73 2hfd n PRO 49 Ca -0.04 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2hfd n PRO 49 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 2hfd n PRO 49 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2hfd n GLU 50 N -1.06 -1.93 0.00 0.54 -0.58 -1.26 -5.04 120.64 111.31 2hfd n GLU 50 Ca 0.15 1.71 0.00 0.00 -0.42 0.00 0.00 57.16 58.60 2hfd n GLU 50 Cb 0.10 -1.93 0.00 0.00 -0.57 0.00 0.00 31.44 29.04 2hfd n GLU 50 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2hfd n VAL 51 N 0.67 0.00 0.08 2.62 0.31 -1.26 -5.02 118.33 115.74 2hfd n VAL 51 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2hfd n VAL 51 Cb 0.00 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 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 -1.91 0.52 -3.30 4.52 2.88 -1.26 -4.50 113.62 110.57 2hfd n SER 52 Ca 0.00 0.27 -0.25 0.00 -1.33 0.00 0.00 58.87 57.55 2hfd n SER 52 Cb 0.00 -0.02 0.02 0.00 -0.75 0.00 0.00 64.21 63.46 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 -3.43 -6.36 -4.58 -3.46 -0.08 -1.26 -4.77 116.55 92.60 2hfd n ASP 53 Ca 0.00 -0.01 -0.41 0.00 -1.51 0.00 0.00 54.79 52.86 2hfd n ASP 53 Cb 0.03 -3.08 -0.03 0.00 2.34 0.00 0.00 41.12 40.38 2hfd n ASP 53 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 2hfd s ASN 54 N -2.08 5.35 0.00 1.67 2.47 -1.26 -4.29 114.94 116.79 2hfd s ASN 54 Ca 0.28 1.29 0.00 0.00 0.42 0.00 0.00 52.86 54.85 2hfd s ASN 54 Cb -0.04 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.24 2hfd s ASN 54 CO 0.84 -2.14 0.00 -2.65 -3.72 0.00 0.00 177.10 169.43 2hfd n PRO 55 N 8.77 0.00 0.00 0.43 -0.02 -1.26 -4.86 135.00 138.06 2hfd n PRO 55 Ca 0.28 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2hfd n PRO 55 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 2hfd n PRO 55 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2hfd n VAL 56 N 0.00 0.00 -0.06 -1.45 0.31 -1.26 -3.16 118.33 112.71 2hfd n VAL 56 Ca 0.00 0.37 0.03 0.00 -0.01 0.00 0.00 64.34 64.73 2hfd n VAL 56 Cb 0.00 -1.06 0.36 0.00 -0.91 0.00 0.00 33.84 32.23 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 0.66 -0.68 5.55 -0.00 -1.90 -2.20 114.93 116.36 2hfd h MET 57 Ca 0.00 -0.05 -0.04 0.00 -0.00 0.00 0.00 59.70 59.62 2hfd h MET 57 Cb 0.00 -0.15 -0.03 0.00 -0.00 0.00 0.00 31.60 31.42 2hfd h MET 57 CO 0.00 0.46 0.28 0.82 -0.00 0.00 0.00 176.91 178.47 2hfd h ILE 58 N 0.68 1.23 -0.20 -0.10 1.08 -1.96 -0.04 117.51 118.20 2hfd h ILE 58 Ca 0.18 -0.72 -0.01 0.00 -0.39 0.00 0.00 64.86 63.92 2hfd h ILE 58 Cb -0.04 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.11 2hfd h ILE 58 CO -0.04 0.29 0.07 1.23 -0.69 0.00 0.00 178.15 179.01 2hfd h GLY 59 N 1.05 0.33 1.53 5.37 0.00 -1.35 -2.46 103.07 107.56 2hfd h GLY 59 Ca 0.23 -0.19 -0.29 0.00 0.00 0.00 0.00 47.33 47.08 2hfd h GLY 59 CO -0.02 0.18 -1.28 0.83 0.00 0.00 0.00 176.54 176.24 2hfd h GLU 60 N 0.16 0.35 0.35 4.80 4.39 -1.56 -3.35 114.58 119.73 2hfd h GLU 60 Ca 0.07 -0.59 -0.02 0.00 0.34 0.00 0.00 59.36 59.16 2hfd h GLU 60 Cb 0.21 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2hfd h GLU 60 CO -0.00 1.27 -0.17 1.25 -1.16 0.00 0.00 179.01 180.20 2hfd h LEU 61 N 0.11 -0.40 -2.20 1.33 5.85 -0.96 -3.19 115.31 115.85 2hfd h LEU 61 Ca -0.16 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 2hfd h LEU 61 Cb 2.00 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 43.13 2hfd h LEU 61 CO 0.22 -0.04 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.19 2hfd h LEU 62 N -0.80 0.00 0.00 2.25 4.07 -1.62 -1.74 115.31 117.46 2hfd h LEU 62 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 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 0.08 0.02 0.00 0.54 -1.08 0.00 0.00 178.44 178.00 2hfd n ARG 63 N -4.15 0.13 -0.36 1.13 5.12 -1.20 -2.17 116.66 115.16 2hfd n ARG 63 Ca -0.03 0.16 -0.00 0.00 -1.93 0.00 0.00 57.85 56.05 2hfd n ARG 63 Cb 0.10 -1.50 0.13 0.00 -1.16 0.00 0.00 32.46 30.03 2hfd n ARG 63 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2hfd h GLU 64 N 0.00 1.21 -2.85 5.56 4.39 -1.45 -3.32 114.58 118.13 2hfd h GLU 64 Ca 0.00 -0.07 -0.61 0.00 0.34 0.00 0.00 59.36 59.02 2hfd h GLU 64 Cb 0.23 -0.27 -0.40 0.00 -0.10 0.00 0.00 28.75 28.20 2hfd h GLU 64 CO 0.00 0.80 -0.75 -0.06 -1.16 0.00 0.00 179.01 177.84 2hfd s PHE 65 N -6.09 2.23 -0.76 4.33 0.08 -0.92 -4.96 117.98 111.89 2hfd s PHE 65 Ca -0.13 -2.68 0.26 0.00 0.12 0.00 0.00 56.93 54.50 2hfd s PHE 65 Cb 0.19 -1.87 0.76 0.00 -0.57 0.00 0.00 43.02 41.52 2hfd s PHE 65 CO 0.81 -0.72 1.69 -0.35 -0.10 0.00 0.00 175.22 176.55 2hfd n PRO 66 N 2.87 0.23 0.15 0.24 -0.04 -1.25 -3.25 135.00 133.95 2hfd n PRO 66 Ca 0.18 0.15 0.03 0.00 -0.04 0.00 0.00 63.50 63.82 2hfd n PRO 66 Cb 0.38 -1.73 0.11 0.00 -0.04 0.00 0.00 33.50 32.22 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 0.00 0.00 -3.62 3.54 3.58 -1.93 -3.41 116.42 114.58 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 0.70 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.65 2hfd h ASP 67 CO 0.00 0.49 0.63 -0.31 -2.88 0.00 0.00 179.24 177.17 2hfd s TYR 68 N -3.13 2.95 -0.46 0.28 2.02 -1.20 -4.98 117.35 112.83 2hfd s TYR 68 Ca 0.03 0.53 -0.27 0.00 -0.37 0.00 0.00 57.07 56.99 2hfd s TYR 68 Cb 0.09 -3.94 -0.02 0.00 -0.40 0.00 0.00 41.96 37.68 2hfd s TYR 68 CO 0.73 -1.05 1.89 0.95 -1.57 0.00 0.00 175.55 176.50 2hfd s THR 69 N 3.77 3.38 -0.81 -0.71 -4.23 -1.26 -4.92 115.64 110.85 2hfd s THR 69 Ca 0.39 0.32 -0.22 0.00 -1.18 0.00 0.00 61.69 61.00 2hfd s THR 69 Cb -0.10 -3.71 0.09 0.00 1.34 0.00 0.00 72.50 70.12 2hfd s THR 69 CO 0.25 -0.58 1.12 0.26 -0.54 0.00 0.00 174.62 175.12 2hfd s TRP 70 N 8.33 2.78 -0.56 3.99 0.52 -1.26 -4.58 118.94 128.15 2hfd s TRP 70 Ca 0.76 -0.85 -0.24 0.00 0.02 0.00 0.00 56.10 55.80 2hfd s TRP 70 Cb -0.18 -4.37 0.05 0.00 -1.15 0.00 0.00 33.47 27.81 2hfd s TRP 70 CO 0.27 -1.67 0.92 -0.65 0.02 0.00 0.00 176.95 175.85 2hfd s GLN 71 N 3.84 3.29 -0.16 4.98 -0.21 -1.26 -4.90 119.66 125.24 2hfd s GLN 71 Ca 0.30 -0.36 -0.21 0.00 0.02 0.00 0.00 55.36 55.11 2hfd s GLN 71 Cb -0.10 -4.07 -0.03 0.00 1.00 0.00 0.00 33.01 29.81 2hfd s GLN 71 CO 0.01 -1.51 0.62 0.08 -2.12 0.00 0.00 175.29 172.37 2hfd s VAL 72 N 3.88 5.05 -0.01 1.09 1.01 -1.26 -3.67 120.40 126.50 2hfd s VAL 72 Ca 0.28 1.19 0.08 0.00 0.00 0.00 0.00 61.98 63.53 2hfd s VAL 72 Cb -0.13 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 2hfd s VAL 72 CO 0.18 0.17 -0.24 0.00 0.00 0.00 0.00 175.10 175.21 2hfd s ALA 73 N 1.48 2.04 -0.01 5.51 0.00 -0.96 -4.35 121.76 125.48 2hfd s ALA 73 Ca 0.30 -1.07 0.06 0.00 0.00 0.00 0.00 51.96 51.24 2hfd s ALA 73 Cb -0.16 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 2hfd s ALA 73 CO 0.12 0.50 -0.19 0.96 0.00 0.00 0.00 175.76 177.14 2hfd s ILE 74 N -0.60 1.50 0.21 0.00 -4.36 -1.16 -2.84 121.20 113.94 2hfd s ILE 74 Ca 0.10 -0.86 0.06 0.00 -0.26 0.00 0.00 60.65 59.69 2hfd s ILE 74 Cb -0.09 -1.26 -0.04 0.00 1.25 0.00 0.00 42.46 42.32 2hfd s ILE 74 CO -0.01 0.39 0.13 0.00 0.24 0.00 0.00 174.94 175.70 2hfd s ALA 75 N -0.49 3.50 0.73 2.27 0.00 -1.19 -0.45 121.76 126.14 2hfd s ALA 75 Ca 0.07 -1.35 -0.03 0.00 0.00 0.00 0.00 51.96 50.65 2hfd s ALA 75 Cb -0.07 -1.25 0.08 0.00 0.00 0.00 0.00 23.12 21.87 2hfd s ALA 75 CO -0.00 0.38 0.48 -0.40 0.00 0.00 0.00 175.76 176.21 2hfd n ASP 76 N -0.71 0.34 -0.26 0.00 5.68 -1.26 -4.72 116.55 115.62 2hfd n ASP 76 Ca -0.08 -1.36 -0.04 0.00 -0.50 0.00 0.00 54.79 52.81 2hfd n ASP 76 Cb 0.56 -0.34 0.07 0.00 -1.14 0.00 0.00 41.12 40.28 2hfd n ASP 76 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 2hfd h LEU 77 N 0.00 0.80 -0.17 -2.12 6.46 -1.98 -0.00 115.31 118.30 2hfd h LEU 77 Ca -0.16 -0.01 -0.23 0.00 -0.12 0.00 0.00 57.88 57.36 2hfd h LEU 77 Cb 0.50 -0.19 0.01 0.00 -0.73 0.00 0.00 40.66 40.25 2hfd h LEU 77 CO 0.14 0.57 -0.92 -0.33 -0.62 0.00 0.00 178.44 177.28 2hfd h GLU 78 N 0.94 0.51 -0.08 1.25 5.08 -1.99 -3.18 114.58 117.11 2hfd h GLU 78 Ca 0.28 -0.51 -0.12 0.00 -1.00 0.00 0.00 59.36 58.00 2hfd h GLU 78 Cb -0.06 0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.33 2hfd h GLU 78 CO -0.08 1.15 -0.43 1.96 -1.00 0.00 0.00 179.01 180.61 2hfd h GLN 79 N 0.30 0.43 -0.69 2.33 1.08 -1.84 -3.03 115.11 113.68 2hfd h GLN 79 Ca -0.08 -0.35 0.02 0.00 -1.45 0.00 0.00 58.65 56.78 2hfd h GLN 79 Cb 1.55 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 29.02 2hfd h GLN 79 CO 0.17 0.99 0.45 0.66 -0.95 0.00 0.00 178.83 180.15 2hfd h SER 80 N -0.03 0.76 -0.90 1.46 4.64 -1.10 0.90 113.55 119.28 2hfd h SER 80 Ca -0.03 -0.01 0.05 0.00 -0.47 0.00 0.00 61.79 61.33 2hfd h SER 80 Cb 1.08 -0.18 -0.06 0.00 -0.31 0.00 0.00 62.40 62.93 2hfd h SER 80 CO 0.09 0.54 0.58 -0.33 -0.87 0.00 0.00 176.83 176.83 2hfd h GLU 81 N 0.90 1.06 -0.08 4.77 4.39 -1.60 -0.11 114.58 123.91 2hfd h GLU 81 Ca 0.27 -0.06 -0.24 0.00 0.34 0.00 0.00 59.36 59.67 2hfd h GLU 81 Cb -0.05 -0.24 0.02 0.00 -0.10 0.00 0.00 28.75 28.38 2hfd h GLU 81 CO -0.08 0.70 -0.87 0.00 -1.16 0.00 0.00 179.01 177.60 2hfd h ALA 82 N 1.40 0.21 -0.13 3.43 0.00 -1.21 -2.17 119.26 120.78 2hfd h ALA 82 Ca 0.38 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2hfd h ALA 82 Cb 0.08 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2hfd h ALA 82 CO -0.14 0.65 0.01 0.82 0.00 0.00 0.00 179.25 180.59 2hfd h ILE 83 N 0.42 1.23 -0.16 0.00 2.04 -0.56 -1.14 117.51 119.35 2hfd h ILE 83 Ca -0.09 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 2hfd h ILE 83 Cb 1.52 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 2hfd h ILE 83 CO 0.18 0.21 0.07 1.23 0.00 0.00 0.00 178.15 179.84 2hfd h GLY 84 N -0.02 0.24 0.46 5.37 0.00 -1.11 -1.47 103.07 106.54 2hfd h GLY 84 Ca 0.04 -0.12 0.04 0.00 0.00 0.00 0.00 47.33 47.28 2hfd h GLY 84 CO 0.00 0.12 -0.18 -1.80 0.00 0.00 0.00 176.54 174.68 2hfd h ASP 85 N 0.12 -0.54 0.58 0.19 1.82 -1.33 -0.45 116.42 116.81 2hfd h ASP 85 Ca 0.05 0.09 -0.06 0.00 -0.39 0.00 0.00 57.03 56.73 2hfd h ASP 85 Cb 0.13 0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.38 2hfd h ASP 85 CO -0.01 -0.23 -0.27 0.03 -1.61 0.00 0.00 179.24 177.15 2hfd h ARG 86 N -0.24 0.00 0.00 0.28 3.08 -1.15 -2.84 114.38 113.51 2hfd h ARG 86 Ca 0.09 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.98 2hfd h ARG 86 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 2hfd h ARG 86 CO -0.24 0.27 -0.89 0.35 -1.07 0.00 0.00 179.97 178.39 2hfd h PHE 87 N 0.00 0.00 0.00 3.04 3.04 -0.62 -3.47 116.94 118.93 2hfd h PHE 87 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2hfd h PHE 87 Cb 0.64 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.15 2hfd h PHE 87 CO 0.00 0.66 0.00 0.41 -2.02 0.00 0.00 178.31 177.36 2hfd n GLY 88 N 1.31 0.56 0.10 2.40 0.00 -0.42 -4.94 105.19 104.21 2hfd n GLY 88 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 2hfd n GLY 88 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2hfd h VAL 89 N 0.00 0.79 0.00 1.61 2.07 -1.66 -3.49 116.25 115.57 2hfd h VAL 89 Ca 0.00 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.21 2hfd h VAL 89 Cb 0.00 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2hfd h VAL 89 CO 0.00 0.45 0.00 0.49 0.02 0.00 0.00 177.57 178.53 2hfd n PHE 90 N -3.06 0.00 -1.10 1.57 3.72 -0.31 -4.88 117.46 113.39 2hfd n PHE 90 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2hfd n PHE 90 Cb 0.84 0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.42 2hfd n PHE 90 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2hfd n ARG 91 N 11.09 2.48 -1.78 -1.08 1.74 -1.26 -4.25 116.66 123.59 2hfd n ARG 91 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 2hfd n ARG 91 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 2hfd n ARG 91 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2hfd n PHE 92 N 0.00 -1.05 -2.21 -1.55 7.35 -1.26 -4.98 117.46 113.76 2hfd n PHE 92 Ca 0.00 0.55 -0.42 0.00 -0.76 0.00 0.00 57.45 56.82 2hfd n PHE 92 Cb 0.00 -2.11 -0.03 0.00 0.35 0.00 0.00 39.48 37.69 2hfd n PHE 92 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 2hfd s PRO 93 N -0.69 4.35 0.19 -7.13 0.02 -1.26 -4.99 135.00 125.49 2hfd s PRO 93 Ca -0.04 2.04 -0.07 0.00 0.02 0.00 0.00 61.00 62.95 2hfd s PRO 93 Cb 0.00 -3.24 0.03 0.00 0.02 0.00 0.00 34.50 31.31 2hfd s PRO 93 CO 0.19 -0.37 0.37 0.00 -0.33 0.00 0.00 177.00 176.87 2hfd n ALA 94 N 3.60 -0.81 -2.55 -1.55 0.00 -1.04 -4.41 120.51 113.75 2hfd n ALA 94 Ca 0.10 -0.63 -0.42 0.00 0.00 0.00 0.00 53.44 52.49 2hfd n ALA 94 Cb 0.43 0.50 -0.07 0.00 0.00 0.00 0.00 19.45 20.31 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 -2.57 4.92 -0.29 0.00 2.01 -1.25 -2.70 115.64 115.76 2hfd s THR 95 Ca 0.08 0.36 -0.16 0.00 0.31 0.00 0.00 61.69 62.28 2hfd s THR 95 Cb -0.02 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 2hfd s THR 95 CO 0.06 -0.36 0.41 -0.76 -0.69 0.00 0.00 174.62 173.28 2hfd s LEU 96 N 2.63 4.12 -0.17 4.42 1.43 -0.38 -0.84 118.68 129.89 2hfd s LEU 96 Ca 0.22 0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.44 2hfd s LEU 96 Cb -0.15 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.55 2hfd s LEU 96 CO 0.15 -0.25 0.20 0.54 0.23 0.00 0.00 176.35 177.22 2hfd s VAL 97 N 2.14 5.37 0.07 -1.59 0.11 -0.83 -1.13 120.40 124.54 2hfd s VAL 97 Ca 0.16 0.34 0.09 0.00 -2.93 0.00 0.00 61.98 59.64 2hfd s VAL 97 Cb -0.16 -3.53 -0.03 0.00 -1.53 0.00 0.00 36.38 31.13 2hfd s VAL 97 CO 0.10 0.45 -0.23 -0.36 -3.33 0.00 0.00 175.10 171.74 2hfd s PHE 98 N 0.17 2.43 -0.08 1.54 0.08 -1.14 -1.62 117.98 119.35 2hfd s PHE 98 Ca 0.12 -0.33 -0.19 0.00 0.12 0.00 0.00 56.93 56.65 2hfd s PHE 98 Cb -0.12 -1.38 0.04 0.00 -0.57 0.00 0.00 43.02 41.00 2hfd s PHE 98 CO 0.01 0.25 0.46 0.99 -0.10 0.00 0.00 175.22 176.84 2hfd s THR 99 N -0.95 0.02 -1.85 0.64 2.01 -0.64 -4.26 115.64 110.61 2hfd s THR 99 Ca 0.14 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 61.95 2hfd s THR 99 Cb -0.10 -0.73 0.00 0.00 0.01 0.00 0.00 72.50 71.68 2hfd s THR 99 CO 0.05 -0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.49 2hfd n GLY 100 N 1.76 1.62 2.26 4.40 0.00 -1.26 -1.42 105.19 112.55 2hfd n GLY 100 Ca -0.18 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.83 0.72 3.43 -0.02 0.00 -1.26 -5.00 105.19 102.23 2hfd n GLY 101 Ca -0.18 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.59 2.17 -0.28 1.61 0.01 -0.51 -5.10 114.94 110.26 2hfd s ASN 102 Ca 0.00 -1.53 -0.29 0.00 -0.71 0.00 0.00 52.86 50.33 2hfd s ASN 102 Cb 0.00 0.28 -0.02 0.00 0.41 0.00 0.00 41.25 41.92 2hfd s ASN 102 CO 0.00 -0.81 1.63 -0.47 -1.51 0.00 0.00 177.10 175.94 2hfd s TYR 103 N -3.40 2.08 -0.13 2.20 5.04 -1.26 -1.62 117.35 120.25 2hfd s TYR 103 Ca 0.32 0.59 -0.09 0.00 -2.44 0.00 0.00 57.07 55.45 2hfd s TYR 103 Cb 0.05 -4.06 -0.25 0.00 0.35 0.00 0.00 41.96 38.05 2hfd s TYR 103 CO 0.15 -2.79 0.34 -2.13 -1.34 0.00 0.00 175.55 169.79 2hfd n ARG 104 N 7.92 0.73 -3.47 4.97 3.00 -0.64 -4.87 116.66 124.30 2hfd n ARG 104 Ca 0.20 0.31 0.00 0.00 -0.00 0.00 0.00 57.85 58.35 2hfd n ARG 104 Cb 0.46 -1.71 0.00 0.00 0.00 0.00 0.00 32.46 31.21 2hfd n ARG 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2hfd n GLY 105 N 1.91 -1.66 3.06 5.14 0.00 -1.05 -4.97 105.19 107.62 2hfd n GLY 105 Ca -0.32 -1.09 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 2hfd n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hfd s VAL 106 N -2.46 0.96 0.37 1.61 0.11 -1.26 -1.97 120.40 117.75 2hfd s VAL 106 Ca 0.00 -0.49 0.01 0.00 -2.93 0.00 0.00 61.98 58.57 2hfd s VAL 106 Cb 0.00 -0.82 -0.02 0.00 -1.53 0.00 0.00 36.38 34.01 2hfd s VAL 106 CO 0.00 0.28 0.56 -0.76 -3.33 0.00 0.00 175.10 171.85 2hfd s LEU 107 N -0.08 3.94 -0.32 2.54 1.43 -0.02 -5.00 118.68 121.17 2hfd s LEU 107 Ca 0.01 0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 53.43 2hfd s LEU 107 Cb -0.07 -3.22 0.19 0.00 0.03 0.00 0.00 46.19 43.12 2hfd s LEU 107 CO 0.00 -0.39 0.88 0.54 0.23 0.00 0.00 176.35 177.61 2hfd s ASN 108 N -4.08 -0.86 0.00 2.29 4.22 -1.26 -3.89 114.94 111.35 2hfd s ASN 108 Ca 0.42 -0.09 0.00 0.00 -2.14 0.00 0.00 52.86 51.05 2hfd s ASN 108 Cb -0.10 1.37 0.00 0.00 1.28 0.00 0.00 41.25 43.80 2hfd s ASN 108 CO 0.36 -0.13 0.00 0.61 -2.04 0.00 0.00 177.10 175.89 2hfd n GLY 109 N 4.77 1.58 0.26 0.45 0.00 -1.26 -4.92 105.19 106.05 2hfd n GLY 109 Ca 0.08 -0.33 0.05 0.00 0.00 0.00 0.00 46.02 45.82 2hfd n GLY 109 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2hfd h ILE 110 N 0.00 1.11 0.53 -0.61 1.08 -1.94 -3.34 117.51 114.33 2hfd h ILE 110 Ca 0.00 -0.42 -0.03 0.00 -0.39 0.00 0.00 64.86 64.02 2hfd h ILE 110 Cb 0.00 1.04 0.01 0.00 -3.07 0.00 0.00 36.82 34.80 2hfd h ILE 110 CO 0.00 0.14 -0.25 -0.74 -0.69 0.00 0.00 178.15 176.60 2hfd h HIS 111 N 0.18 -0.66 -2.82 1.37 2.76 -1.94 -3.43 115.15 110.61 2hfd h HIS 111 Ca 0.04 -0.02 -0.55 0.00 -2.20 0.00 0.00 60.37 57.65 2hfd h HIS 111 Cb 0.18 0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 2hfd h HIS 111 CO 0.00 -0.36 0.93 -2.14 -1.30 0.00 0.00 177.93 175.06 2hfd s PRO 112 N -4.20 4.24 -0.20 5.26 0.02 -1.26 -4.91 135.00 133.95 2hfd s PRO 112 Ca -0.12 1.94 -0.12 0.00 0.02 0.00 0.00 61.00 62.71 2hfd s PRO 112 Cb 0.01 -3.77 -0.20 0.00 0.02 0.00 0.00 34.50 30.57 2hfd s PRO 112 CO 0.39 -0.70 0.08 1.87 -0.33 0.00 0.00 177.00 178.31 2hfd n TRP 113 N 6.33 0.74 -0.21 6.54 -0.00 -1.26 -2.58 117.44 127.01 2hfd n TRP 113 Ca 0.15 0.23 -0.07 0.00 -0.00 0.00 0.00 57.50 57.81 2hfd n TRP 113 Cb 0.44 -1.09 0.03 0.00 -0.00 0.00 0.00 31.31 30.69 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 -0.34 0.75 -0.47 5.87 0.00 -1.99 -0.43 119.26 122.64 2hfd h ALA 114 Ca -0.48 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 2hfd h ALA 114 Cb 1.68 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2hfd h ALA 114 CO -0.14 0.29 0.12 0.93 0.00 0.00 0.00 179.25 180.44 2hfd h GLU 115 N 0.79 0.76 -0.13 0.00 3.07 -1.99 -1.21 114.58 115.87 2hfd h GLU 115 Ca 0.20 -0.18 0.02 0.00 -0.50 0.00 0.00 59.36 58.90 2hfd h GLU 115 Cb 0.07 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 2hfd h GLU 115 CO -0.03 0.74 0.02 1.25 -1.40 0.00 0.00 179.01 179.59 2hfd h LEU 116 N 0.64 0.01 -0.19 1.33 5.85 -1.17 -0.43 115.31 121.34 2hfd h LEU 116 Ca 0.15 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.91 2hfd h LEU 116 Cb 0.32 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2hfd h LEU 116 CO 0.00 0.02 0.05 0.40 -0.34 0.00 0.00 178.44 178.57 2hfd h ILE 117 N 0.08 0.93 -0.04 4.05 2.04 -1.00 0.49 117.51 124.06 2hfd h ILE 117 Ca 0.06 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.91 2hfd h ILE 117 Cb 0.05 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 2hfd h ILE 117 CO -0.08 0.02 -0.34 -1.13 0.00 0.00 0.00 178.15 176.63 2hfd h ASN 118 N 0.13 -1.03 -0.34 1.72 -1.24 -0.86 0.11 115.58 114.07 2hfd h ASN 118 Ca 0.08 0.14 -0.03 0.00 0.71 0.00 0.00 56.30 57.20 2hfd h ASN 118 Cb 0.07 0.42 -0.01 0.00 0.73 0.00 0.00 38.32 39.52 2hfd h ASN 118 CO -0.10 -0.39 0.08 -0.07 -1.29 0.00 0.00 177.43 175.66 2hfd h LEU 119 N -0.47 0.52 0.17 0.34 3.38 -0.96 0.17 115.31 118.46 2hfd h LEU 119 Ca 0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2hfd h LEU 119 Cb 0.57 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2hfd h LEU 119 CO -0.31 0.62 -0.08 -0.03 0.09 0.00 0.00 178.44 178.73 2hfd h MET 120 N 0.39 -0.23 -0.71 1.13 4.05 -0.57 0.08 114.93 119.08 2hfd h MET 120 Ca 0.11 0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.48 2hfd h MET 120 Cb 0.30 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.12 2hfd h MET 120 CO 0.00 -0.12 0.21 -0.09 0.23 0.00 0.00 176.91 177.14 2hfd h ARG 121 N -0.27 1.11 -0.03 0.39 2.43 -0.79 -1.09 114.38 116.13 2hfd h ARG 121 Ca -0.02 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 2hfd h ARG 121 Cb 0.21 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2hfd h ARG 121 CO 0.04 0.95 -0.03 0.78 -1.51 0.00 0.00 179.97 180.20 2hfd h GLY 122 N 1.09 0.05 0.00 2.80 0.00 -0.19 0.52 103.07 107.34 2hfd h GLY 122 Ca 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 2hfd h GLY 122 CO -0.00 0.02 -0.11 1.41 0.00 0.00 0.00 176.54 177.86 2hfd h LEU 123 N 0.05 0.00 -0.72 3.11 3.38 -0.46 -3.38 115.31 117.29 2hfd h LEU 123 Ca 0.01 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.55 2hfd h LEU 123 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2hfd h LEU 123 CO 0.00 0.71 -0.32 -0.37 0.09 0.00 0.00 178.44 178.56 2hfd h VAL 124 N -1.00 1.28 -3.75 1.22 -1.51 -1.13 -3.39 116.25 107.97 2hfd h VAL 124 Ca -0.02 -1.44 -0.68 0.00 -1.23 0.00 0.00 66.70 63.33 2hfd h VAL 124 Cb 0.39 1.40 -0.32 0.00 -2.13 0.00 0.00 31.29 30.63 2hfd h VAL 124 CO -0.01 0.46 -0.70 -0.70 -1.23 0.00 0.00 177.57 175.40 2hfd s GLU 125 N -4.41 2.47 -0.63 5.19 2.12 0.18 -5.05 118.70 118.58 2hfd s GLU 125 Ca -0.08 -1.24 -0.26 0.00 0.36 0.00 0.00 54.97 53.75 2hfd s GLU 125 Cb 0.13 -3.19 -0.10 0.00 0.26 0.00 0.00 34.13 31.23 2hfd s GLU 125 CO 0.82 -0.61 2.40 -2.14 -0.54 0.00 0.00 175.26 175.19 2hfd s PRO 126 N 1.27 1.89 -1.56 4.30 0.02 -1.26 -4.11 135.00 135.55 2hfd s PRO 126 Ca -0.05 0.98 -0.09 0.00 0.02 0.00 0.00 61.00 61.86 2hfd s PRO 126 Cb -0.20 -4.67 -0.07 0.00 0.02 0.00 0.00 34.50 29.58 2hfd s PRO 126 CO -0.01 -3.79 2.92 1.04 -0.33 0.00 0.00 177.00 176.83 2hfd n GLN 127 N 8.93 3.77 -2.36 5.54 6.02 -1.26 -4.80 117.38 133.21 2hfd n GLN 127 Ca 0.41 -2.31 -0.42 0.00 -0.01 0.00 0.00 57.00 54.67 2hfd n GLN 127 Cb 0.50 -2.76 -0.00 0.00 1.02 0.00 0.00 30.24 28.99 2hfd n GLN 127 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2hfd n GLN 128 N 3.35 3.05 -2.73 -1.09 0.00 -1.26 -4.95 117.38 113.73 2hfd n GLN 128 Ca 0.76 -3.09 -0.22 0.00 -0.00 0.00 0.00 57.00 54.46 2hfd n GLN 128 Cb 0.25 -3.46 0.03 0.00 0.00 0.00 0.00 30.24 27.06 2hfd n GLN 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 2hfd s GLU 129 N 4.10 2.69 0.18 3.69 -1.05 -1.26 -4.99 118.70 122.06 2hfd s GLU 129 Ca 0.53 -0.70 0.25 0.00 -0.15 0.00 0.00 54.97 54.90 2hfd s GLU 129 Cb 0.06 -2.51 0.91 0.00 -0.44 0.00 0.00 34.13 32.15 2hfd s GLU 129 CO 0.05 -0.59 1.75 -2.13 0.95 0.00 0.00 175.26 175.28 2hfd n ARG 130 N -2.27 0.18 -2.67 -4.83 0.63 -1.26 -4.29 116.66 102.15 2hfd n ARG 130 Ca 0.06 0.27 -0.43 0.00 -0.92 0.00 0.00 57.85 56.82 2hfd n ARG 130 Cb 0.59 -1.77 0.00 0.00 0.45 0.00 0.00 32.46 31.74 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 -1.72 3.82 1.11 5.13 0.00 -1.26 -5.35 120.51 122.24 2hfd n ALA 131 Ca 0.04 -4.01 0.12 0.00 0.00 0.00 0.00 53.44 49.60 2hfd n ALA 131 Cb 0.33 -3.39 0.20 0.00 0.00 0.00 0.00 19.45 16.59 2hfd n ALA 131 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93