#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfd s SER 2 N 0.00 4.79 -1.31 7.83 1.04 -1.26 -3.96 113.70 120.83 2hfd s SER 2 Ca 0.00 -0.52 -0.11 0.00 0.48 0.00 0.00 55.95 55.80 2hfd s SER 2 Cb 0.00 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2hfd s SER 2 CO 0.00 -3.08 0.54 -3.20 0.98 0.00 0.00 173.24 168.47 2hfd n ASN 3 N 15.30 -2.27 -1.60 7.02 5.15 -1.26 -4.38 115.26 133.23 2hfd n ASN 3 Ca 0.42 -1.07 0.00 0.00 -0.60 0.00 0.00 54.58 53.33 2hfd n ASN 3 Cb 0.46 -2.86 0.00 0.00 -0.53 0.00 0.00 39.78 36.85 2hfd n ASN 3 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2hfd n ASP 4 N -2.77 0.00 0.09 1.20 2.03 -1.25 -5.00 116.55 110.85 2hfd n ASP 4 Ca -0.22 0.92 0.00 0.00 0.52 0.00 0.00 54.79 56.01 2hfd n ASP 4 Cb 0.64 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 2hfd n ASP 4 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2hfd n THR 5 N 1.68 0.00 -0.07 5.18 -1.04 -1.26 -4.76 114.28 114.01 2hfd n THR 5 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 2hfd n THR 5 Cb 0.00 0.00 0.14 0.00 -1.82 0.00 0.00 70.33 68.65 2hfd n THR 5 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2hfd h PRO 6 N 0.00 0.70 -0.03 -2.82 0.13 -1.91 -1.83 132.00 126.24 2hfd h PRO 6 Ca 0.00 -0.24 -0.24 0.00 -0.87 0.00 0.00 66.00 64.65 2hfd h PRO 6 Cb 0.00 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.09 2hfd h PRO 6 CO 0.00 0.82 -0.94 0.35 -0.23 0.00 0.00 178.00 178.00 2hfd h PHE 7 N 0.63 0.86 -0.41 1.56 3.57 -1.91 0.29 116.94 121.54 2hfd h PHE 7 Ca 0.10 -0.45 0.09 0.00 3.53 0.00 0.00 57.97 61.24 2hfd h PHE 7 Cb 0.62 -0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.16 2hfd h PHE 7 CO 0.03 1.27 -0.18 0.22 -2.23 0.00 0.00 178.31 177.42 2hfd h ASP 8 N 0.35 -0.63 -0.38 0.41 3.58 -1.84 0.46 116.42 118.38 2hfd h ASP 8 Ca -0.09 0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 2hfd h ASP 8 Cb 1.58 0.35 -0.02 0.00 1.72 0.00 0.00 39.33 42.96 2hfd h ASP 8 CO 0.18 -0.22 0.22 0.00 -2.88 0.00 0.00 179.24 176.54 2hfd h ALA 9 N 1.20 0.48 -0.11 -0.78 0.00 -1.20 -1.65 119.26 117.20 2hfd h ALA 9 Ca 0.20 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2hfd h ALA 9 Cb 0.41 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2hfd h ALA 9 CO -0.48 -0.01 -0.16 1.25 0.00 0.00 0.00 179.25 179.86 2hfd h LEU 10 N 0.49 -0.49 -0.81 0.00 7.12 0.66 -0.51 115.31 121.77 2hfd h LEU 10 Ca 0.13 0.09 -0.08 0.00 0.13 0.00 0.00 57.88 58.15 2hfd h LEU 10 Cb 0.03 0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.37 2hfd h LEU 10 CO -0.02 -0.21 -0.02 -0.25 -0.13 0.00 0.00 178.44 177.80 2hfd h TRP 11 N -0.21 0.94 -0.36 1.25 7.01 -0.07 -1.61 115.95 122.91 2hfd h TRP 11 Ca 0.09 -0.15 0.00 0.00 2.11 0.00 0.00 58.89 60.94 2hfd h TRP 11 Cb 0.33 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.13 2hfd h TRP 11 CO -0.27 0.87 0.23 1.96 -2.79 0.00 0.00 178.44 178.45 2hfd h GLN 12 N 0.80 0.47 0.49 2.65 1.08 -0.77 0.23 115.11 120.06 2hfd h GLN 12 Ca 0.15 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.30 2hfd h GLN 12 Cb 0.51 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2hfd h GLN 12 CO 0.03 0.32 -0.26 0.00 -0.95 0.00 0.00 178.83 177.96 2hfd h ARG 13 N 0.49 -0.67 -0.09 1.46 2.47 -0.11 -0.13 114.38 117.79 2hfd h ARG 13 Ca 0.13 0.05 -0.08 0.00 -1.26 0.00 0.00 59.98 58.81 2hfd h ARG 13 Cb -0.05 0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 2hfd h ARG 13 CO -0.03 -0.45 -0.33 0.52 0.56 0.00 0.00 179.97 180.24 2hfd h MET 14 N -0.70 0.17 -0.20 0.04 2.86 -1.17 -2.66 114.93 113.27 2hfd h MET 14 Ca -0.06 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.39 2hfd h MET 14 Cb 0.55 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 2hfd h MET 14 CO 0.09 0.49 -0.41 -0.07 1.06 0.00 0.00 176.91 178.07 2hfd h LEU 15 N 0.15 0.50 -1.65 1.22 -0.00 -0.38 -2.44 115.31 112.71 2hfd h LEU 15 Ca 0.02 -0.22 -0.02 0.00 -0.00 0.00 0.00 57.88 57.66 2hfd h LEU 15 Cb 0.66 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 41.18 2hfd h LEU 15 CO 0.05 0.86 -0.08 0.00 -0.00 0.00 0.00 178.44 179.26 2hfd h ALA 16 N 1.17 1.06 -0.00 1.53 0.00 -0.67 -1.46 119.26 120.90 2hfd h ALA 16 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2hfd h ALA 16 Cb 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2hfd h ALA 16 CO 0.07 0.10 -0.09 0.54 0.00 0.00 0.00 179.25 179.87 2hfd n ARG 17 N -3.28 0.13 -2.30 0.00 5.12 -0.93 -4.93 116.66 110.47 2hfd n ARG 17 Ca -0.00 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 2hfd n ARG 17 Cb 0.30 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 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 1.45 0.86 3.83 -0.13 0.00 -0.55 -5.07 105.19 105.59 2hfd n GLY 18 Ca 0.09 -0.61 -0.32 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 -2.95 3.35 -0.23 1.61 0.51 -1.18 -5.07 118.94 114.99 2hfd s TRP 19 Ca 0.00 0.20 -0.17 0.00 -2.12 0.00 0.00 56.10 54.01 2hfd s TRP 19 Cb 0.00 -1.72 -0.03 0.00 -0.81 0.00 0.00 33.47 30.91 2hfd s TRP 19 CO 0.00 0.57 0.45 0.99 -0.51 0.00 0.00 176.95 178.45 2hfd s THR 20 N -1.35 5.14 -0.29 2.01 2.01 -1.19 -4.73 115.64 117.24 2hfd s THR 20 Ca 0.29 0.79 -0.28 0.00 0.31 0.00 0.00 61.69 62.79 2hfd s THR 20 Cb -0.12 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.62 2hfd s THR 20 CO 0.21 0.18 0.99 -2.84 -0.69 0.00 0.00 174.62 172.47 2hfd s PRO 21 N 1.76 4.10 0.15 4.92 0.02 -1.26 -1.49 135.00 143.21 2hfd s PRO 21 Ca 0.20 1.04 0.11 0.00 0.02 0.00 0.00 61.00 62.37 2hfd s PRO 21 Cb -0.15 -3.70 -0.04 0.00 0.02 0.00 0.00 34.50 30.62 2hfd s PRO 21 CO 0.09 -0.76 -0.26 0.08 -0.33 0.00 0.00 177.00 175.82 2hfd s VAL 22 N 3.34 2.28 0.59 3.83 1.01 -1.07 -4.97 120.40 125.41 2hfd s VAL 22 Ca 0.42 -1.85 -0.10 0.00 0.00 0.00 0.00 61.98 60.45 2hfd s VAL 22 Cb -0.13 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2hfd s VAL 22 CO 0.12 0.02 0.99 -0.44 0.00 0.00 0.00 175.10 175.78 2hfd s SER 23 N -2.26 6.25 0.13 3.32 0.01 -1.26 -4.58 113.70 115.32 2hfd s SER 23 Ca 0.16 1.35 -0.29 0.00 1.31 0.00 0.00 55.95 58.48 2hfd s SER 23 Cb -0.09 -2.44 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 2hfd s SER 23 CO 0.07 -0.81 1.58 -0.33 0.41 0.00 0.00 173.24 174.16 2hfd h GLU 24 N -0.18 -0.45 -0.19 12.44 3.07 -1.99 0.52 114.58 127.81 2hfd h GLU 24 Ca -0.45 0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.41 2hfd h GLU 24 Cb 1.19 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 29.19 2hfd h GLU 24 CO 0.62 -0.30 -0.05 0.77 -1.40 0.00 0.00 179.01 178.66 2hfd h SER 25 N -0.46 0.27 0.68 1.42 0.02 -2.01 -1.75 113.55 111.71 2hfd h SER 25 Ca 0.09 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2hfd h SER 25 Cb 0.62 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2hfd h SER 25 CO -0.42 0.36 -0.50 0.54 -1.14 0.00 0.00 176.83 175.66 2hfd n ARG 26 N -4.33 0.11 -0.14 3.45 5.12 -0.45 -2.58 116.66 117.84 2hfd n ARG 26 Ca -0.00 0.03 -0.11 0.00 -1.93 0.00 0.00 57.85 55.84 2hfd n ARG 26 Cb 0.22 -1.57 -0.01 0.00 -1.16 0.00 0.00 32.46 29.94 2hfd n ARG 26 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2hfd h LEU 27 N 0.00 0.81 -0.07 0.55 7.12 0.93 0.32 115.31 124.97 2hfd h LEU 27 Ca 0.00 -0.36 -0.25 0.00 0.13 0.00 0.00 57.88 57.40 2hfd h LEU 27 Cb 0.59 -0.22 0.02 0.00 -0.53 0.00 0.00 40.66 40.51 2hfd h LEU 27 CO 0.00 0.99 -0.98 -0.78 -0.13 0.00 0.00 178.44 177.54 2hfd h ASP 28 N 0.63 0.83 0.40 1.25 3.58 -1.57 -1.94 116.42 119.59 2hfd h ASP 28 Ca 0.11 -0.64 -0.01 0.00 0.42 0.00 0.00 57.03 56.90 2hfd h ASP 28 Cb 0.63 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2hfd h ASP 28 CO 0.04 1.44 -0.29 -0.78 -2.88 0.00 0.00 179.24 176.77 2hfd h ASP 29 N 0.38 -0.76 -0.35 2.28 3.58 -1.40 -1.39 116.42 118.76 2hfd h ASP 29 Ca -0.11 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.40 2hfd h ASP 29 Cb 1.62 0.24 -0.02 0.00 1.72 0.00 0.00 39.33 42.89 2hfd h ASP 29 CO 0.19 -0.44 0.23 -0.25 -2.88 0.00 0.00 179.24 176.08 2hfd h TRP 30 N -0.68 0.43 -0.83 0.28 2.91 -0.43 -2.68 115.95 114.95 2hfd h TRP 30 Ca -0.04 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.00 2hfd h TRP 30 Cb 0.58 -0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 29.05 2hfd h TRP 30 CO -0.13 0.27 0.53 1.25 -1.03 0.00 0.00 178.44 179.33 2hfd h LEU 31 N 0.47 0.98 -0.82 0.65 5.85 -1.21 0.49 115.31 121.72 2hfd h LEU 31 Ca 0.13 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 2hfd h LEU 31 Cb -0.04 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 2hfd h LEU 31 CO -0.04 0.74 -0.39 0.00 -0.34 0.00 0.00 178.44 178.41 2hfd h THR 32 N 1.14 0.87 -0.00 1.05 1.03 -1.12 -2.38 112.91 113.50 2hfd h THR 32 Ca 0.30 -1.60 0.00 0.00 -0.01 0.00 0.00 66.41 65.10 2hfd h THR 32 Cb -0.09 1.99 0.00 0.00 -1.07 0.00 0.00 68.15 68.98 2hfd h THR 32 CO -0.06 0.38 -0.43 0.00 -0.01 0.00 0.00 175.52 175.41 2hfd n GLN 33 N -3.49 0.23 -3.45 0.00 6.02 -0.87 -4.89 117.38 110.93 2hfd n GLN 33 Ca 0.00 -0.13 -0.34 0.00 -0.01 0.00 0.00 57.00 56.52 2hfd n GLN 33 Cb 0.54 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.24 2hfd n GLN 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hfd s ALA 34 N -2.86 3.63 0.18 -1.58 0.00 0.11 -5.00 121.76 116.24 2hfd s ALA 34 Ca 0.15 -0.26 -0.08 0.00 0.00 0.00 0.00 51.96 51.77 2hfd s ALA 34 Cb 0.18 -2.41 0.08 0.00 0.00 0.00 0.00 23.12 20.97 2hfd s ALA 34 CO 0.65 0.51 1.59 -1.00 0.00 0.00 0.00 175.76 177.51 2hfd h PRO 35 N 3.35 0.94 -2.58 0.00 0.13 -1.84 -3.45 132.00 128.55 2hfd h PRO 35 Ca -0.48 -0.38 0.13 0.00 -0.87 0.00 0.00 66.00 64.40 2hfd h PRO 35 Cb 1.19 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 2hfd h PRO 35 CO 0.67 1.04 0.52 0.34 -0.23 0.00 0.00 178.00 180.34 2hfd s ASP 36 N -6.71 -0.03 0.00 1.44 -1.08 -1.25 -3.20 116.67 105.83 2hfd s ASP 36 Ca -0.11 -0.71 0.00 0.00 -0.52 0.00 0.00 52.55 51.21 2hfd s ASP 36 Cb 0.13 0.56 0.00 0.00 -1.46 0.00 0.00 42.92 42.15 2hfd s ASP 36 CO 0.86 -1.10 0.00 0.61 0.52 0.00 0.00 175.17 176.06 2hfd n GLY 37 N -0.63 -1.58 3.01 2.66 0.00 -1.22 -1.34 105.19 106.09 2hfd n GLY 37 Ca -0.04 -1.52 -0.14 0.00 0.00 0.00 0.00 46.02 44.32 2hfd n GLY 37 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hfd s VAL 38 N -1.76 0.44 -0.16 1.61 -7.23 -0.91 -2.75 120.40 109.64 2hfd s VAL 38 Ca 0.00 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.44 2hfd s VAL 38 Cb 0.00 -0.47 -0.00 0.00 0.56 0.00 0.00 36.38 36.47 2hfd s VAL 38 CO 0.00 -0.21 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.74 2hfd s VAL 39 N -0.91 2.65 -0.16 1.32 1.01 0.26 -1.84 120.40 122.73 2hfd s VAL 39 Ca -0.06 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 2hfd s VAL 39 Cb -0.07 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2hfd s VAL 39 CO 0.00 0.51 0.38 -0.76 0.00 0.00 0.00 175.10 175.23 2hfd s LEU 40 N 0.85 4.22 0.04 3.92 1.02 -0.88 -0.09 118.68 127.76 2hfd s LEU 40 Ca -0.05 0.58 -0.22 0.00 0.02 0.00 0.00 54.13 54.47 2hfd s LEU 40 Cb -0.15 -2.50 -0.06 0.00 0.02 0.00 0.00 46.19 43.50 2hfd s LEU 40 CO -0.01 0.01 0.65 -0.22 0.02 0.00 0.00 176.35 176.81 2hfd s LEU 41 N 0.81 4.47 0.00 1.79 2.96 -0.35 -3.50 118.68 124.86 2hfd s LEU 41 Ca 0.20 1.31 0.00 0.00 -0.22 0.00 0.00 54.13 55.41 2hfd s LEU 41 Cb -0.14 -3.03 0.00 0.00 0.50 0.00 0.00 46.19 43.52 2hfd s LEU 41 CO 0.07 0.13 0.00 -1.20 -1.32 0.00 0.00 176.35 174.03 2hfd n SER 42 N 2.41 0.08 -0.44 3.68 7.64 -1.26 -4.06 113.62 121.67 2hfd n SER 42 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2hfd n SER 42 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.00 -3.39 -4.19 6.43 7.64 -1.26 -4.56 113.62 114.29 2hfd n SER 43 Ca 0.00 0.33 -0.40 0.00 1.01 0.00 0.00 58.87 59.80 2hfd n SER 43 Cb 0.00 -0.50 -0.07 0.00 -1.01 0.00 0.00 64.21 62.63 2hfd n SER 43 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2hfd s ASP 44 N -1.84 5.78 -0.01 6.43 -4.77 -1.26 -4.46 116.67 116.54 2hfd s ASP 44 Ca 0.00 -2.62 0.19 0.00 -3.30 0.00 0.00 52.55 46.82 2hfd s ASP 44 Cb 0.00 -1.99 -0.21 0.00 -1.09 0.00 0.00 42.92 39.63 2hfd s ASP 44 CO 0.00 -0.49 0.57 -0.81 0.70 0.00 0.00 175.17 175.13 2hfd n PRO 45 N 3.91 0.65 -0.00 2.11 -0.04 -1.26 -4.69 135.00 135.67 2hfd n PRO 45 Ca 0.07 0.02 -0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2hfd n PRO 45 Cb 0.41 -1.65 -0.00 0.00 -0.04 0.00 0.00 33.50 32.22 2hfd n PRO 45 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2hfd n LYS 46 N -2.63 0.01 0.00 0.54 4.81 -1.26 -5.03 118.16 114.60 2hfd n LYS 46 Ca -0.12 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 2hfd n LYS 46 Cb 0.79 -0.56 0.00 0.00 0.02 0.00 0.00 35.03 35.28 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 -2.52 0.00 -2.80 1.64 0.63 -1.26 -5.12 116.66 107.23 2hfd n ARG 47 Ca -0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.50 2hfd n ARG 47 Cb 0.01 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.89 2hfd n ARG 47 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2hfd s THR 48 N -0.02 4.66 -2.12 5.15 2.01 -1.26 -4.91 115.64 119.14 2hfd s THR 48 Ca 0.00 1.45 0.19 0.00 0.31 0.00 0.00 61.69 63.63 2hfd s THR 48 Cb 0.00 -4.28 0.47 0.00 0.01 0.00 0.00 72.50 68.70 2hfd s THR 48 CO 0.00 -0.36 1.43 -0.81 -0.69 0.00 0.00 174.62 174.18 2hfd n PRO 49 N 6.52 2.24 -3.70 4.92 -0.04 -1.26 -4.67 135.00 139.01 2hfd n PRO 49 Ca 0.08 -1.90 -0.29 0.00 -0.04 0.00 0.00 63.50 61.34 2hfd n PRO 49 Cb 0.48 -1.44 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 2hfd n PRO 49 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2hfd s GLU 50 N -1.38 1.32 0.22 0.54 -6.30 -1.26 -4.59 118.70 107.24 2hfd s GLU 50 Ca 0.36 -2.08 0.17 0.00 -2.50 0.00 0.00 54.97 50.92 2hfd s GLU 50 Cb 0.20 -2.32 0.01 0.00 0.00 0.00 0.00 34.13 32.02 2hfd s GLU 50 CO 0.26 -1.18 1.23 0.28 0.02 0.00 0.00 175.26 175.87 2hfd h VAL 51 N 5.15 0.62 0.06 3.70 2.07 -1.96 -3.38 116.25 122.51 2hfd h VAL 51 Ca 0.02 -1.97 -0.00 0.00 0.82 0.00 0.00 66.70 65.57 2hfd h VAL 51 Cb 0.92 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 2hfd h VAL 51 CO 0.48 0.36 -0.03 0.28 0.02 0.00 0.00 177.57 178.68 2hfd h SER 52 N 0.00 -0.07 0.00 0.57 0.02 -1.92 -3.47 113.55 108.68 2hfd h SER 52 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2hfd h SER 52 Cb 1.39 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.95 2hfd h SER 52 CO 0.05 0.40 0.00 -0.67 -1.14 0.00 0.00 176.83 175.47 2hfd n ASP 53 N -4.73 0.00 -3.24 3.07 2.03 -1.26 -3.66 116.55 108.77 2hfd n ASP 53 Ca -0.01 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.14 2hfd n ASP 53 Cb 0.03 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.37 2hfd n ASP 53 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2hfd s ASN 54 N 0.00 0.60 0.00 1.67 2.47 -1.26 -5.05 114.94 113.37 2hfd s ASN 54 Ca 0.00 -2.01 -0.03 0.00 0.42 0.00 0.00 52.86 51.24 2hfd s ASN 54 Cb 0.00 0.61 -0.11 0.00 -1.45 0.00 0.00 41.25 40.29 2hfd s ASN 54 CO 0.00 -0.19 2.64 -0.81 -3.72 0.00 0.00 177.10 175.02 2hfd n PRO 55 N 3.57 1.40 -0.12 0.43 -0.04 -1.24 -3.90 135.00 135.10 2hfd n PRO 55 Ca 0.18 -0.42 -0.19 0.00 -0.04 0.00 0.00 63.50 63.03 2hfd n PRO 55 Cb 0.48 -1.44 -0.12 0.00 -0.04 0.00 0.00 33.50 32.39 2hfd n PRO 55 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2hfd n VAL 56 N 1.95 1.51 0.23 0.52 0.31 -1.26 -4.49 118.33 117.11 2hfd n VAL 56 Ca 0.18 -0.57 0.07 0.00 -0.01 0.00 0.00 64.34 64.02 2hfd n VAL 56 Cb 0.66 -1.46 0.57 0.00 -0.91 0.00 0.00 33.84 32.70 2hfd n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hfd h MET 57 N -0.03 0.00 -0.65 5.55 -0.00 -1.96 -1.69 114.93 116.14 2hfd h MET 57 Ca -0.57 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.14 2hfd h MET 57 Cb 1.90 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 33.46 2hfd h MET 57 CO -0.09 0.17 0.42 0.82 -0.00 0.00 0.00 176.91 178.22 2hfd h ILE 58 N 0.00 1.13 -0.35 -0.10 1.08 -1.87 0.14 117.51 117.55 2hfd h ILE 58 Ca -0.00 -0.29 -0.10 0.00 -0.39 0.00 0.00 64.86 64.08 2hfd h ILE 58 Cb 0.32 0.21 -0.02 0.00 -3.07 0.00 0.00 36.82 34.27 2hfd h ILE 58 CO 0.02 0.15 -0.20 1.23 -0.69 0.00 0.00 178.15 178.66 2hfd h GLY 59 N 0.85 0.72 2.00 5.37 0.00 -1.55 -2.57 103.07 107.88 2hfd h GLY 59 Ca 0.25 -0.58 -0.13 0.00 0.00 0.00 0.00 47.33 46.86 2hfd h GLY 59 CO -0.07 0.53 -0.63 0.83 0.00 0.00 0.00 176.54 177.21 2hfd h GLU 60 N 0.59 0.00 -0.21 4.80 5.08 -1.30 -2.91 114.58 120.63 2hfd h GLU 60 Ca 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2hfd h GLU 60 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2hfd h GLU 60 CO 0.05 0.63 0.08 1.25 -1.00 0.00 0.00 179.01 180.01 2hfd h LEU 61 N 0.00 0.30 -1.59 1.33 5.85 -0.36 -2.56 115.31 118.28 2hfd h LEU 61 Ca -0.01 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 2hfd h LEU 61 Cb 1.25 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2hfd h LEU 61 CO 0.08 0.40 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.29 2hfd h LEU 62 N 0.19 0.00 0.00 2.25 4.07 -1.47 -2.27 115.31 118.08 2hfd h LEU 62 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 2hfd h LEU 62 Cb 0.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.94 2hfd h LEU 62 CO -0.00 0.22 0.00 0.54 -1.08 0.00 0.00 178.44 178.12 2hfd n ARG 63 N -4.03 0.15 -0.05 1.13 5.12 -0.97 -2.21 116.66 115.80 2hfd n ARG 63 Ca -0.02 0.13 -0.01 0.00 -1.93 0.00 0.00 57.85 56.02 2hfd n ARG 63 Cb 0.30 -1.50 0.25 0.00 -1.16 0.00 0.00 32.46 30.35 2hfd n ARG 63 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2hfd h GLU 64 N 0.00 0.64 -2.80 5.56 4.57 -1.29 -3.33 114.58 117.92 2hfd h GLU 64 Ca 0.00 -0.14 -0.61 0.00 -1.18 0.00 0.00 59.36 57.43 2hfd h GLU 64 Cb 0.26 -0.09 -0.40 0.00 -0.16 0.00 0.00 28.75 28.35 2hfd h GLU 64 CO 0.00 0.64 -0.75 0.12 -1.18 0.00 0.00 179.01 177.83 2hfd s PHE 65 N -5.03 2.37 -2.07 0.92 5.36 -0.94 -4.94 117.98 113.64 2hfd s PHE 65 Ca -0.08 -2.80 0.14 0.00 -0.96 0.00 0.00 56.93 53.22 2hfd s PHE 65 Cb 0.15 -1.90 0.43 0.00 -0.34 0.00 0.00 43.02 41.37 2hfd s PHE 65 CO 0.78 -0.69 1.34 -0.35 -1.46 0.00 0.00 175.22 174.84 2hfd n PRO 66 N 2.58 1.81 0.21 10.12 -0.04 -1.25 -3.95 135.00 144.49 2hfd n PRO 66 Ca 0.21 -1.26 0.08 0.00 -0.04 0.00 0.00 63.50 62.50 2hfd n PRO 66 Cb 0.40 -1.31 0.44 0.00 -0.04 0.00 0.00 33.50 32.99 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 2.16 0.00 -3.37 3.54 3.58 -1.92 -3.40 116.42 117.01 2hfd h ASP 67 Ca 0.00 0.00 -0.64 0.00 0.42 0.00 0.00 57.03 56.81 2hfd h ASP 67 Cb 0.49 0.00 -0.22 0.00 1.72 0.00 0.00 39.33 41.32 2hfd h ASP 67 CO 0.00 0.28 -0.66 -0.31 -2.88 0.00 0.00 179.24 175.67 2hfd s TYR 68 N -3.74 3.05 -0.40 0.28 1.51 -1.25 -5.06 117.35 111.73 2hfd s TYR 68 Ca -0.00 -0.37 -0.28 0.00 -1.01 0.00 0.00 57.07 55.41 2hfd s TYR 68 Cb 0.11 -2.03 -0.00 0.00 -0.11 0.00 0.00 41.96 39.92 2hfd s TYR 68 CO 0.65 -0.14 1.61 0.95 -1.11 0.00 0.00 175.55 177.52 2hfd s THR 69 N 0.71 3.66 -0.59 -0.71 -4.23 -1.26 -4.95 115.64 108.28 2hfd s THR 69 Ca -0.01 0.65 -0.28 0.00 -1.18 0.00 0.00 61.69 60.88 2hfd s THR 69 Cb -0.14 -3.96 0.03 0.00 1.34 0.00 0.00 72.50 69.77 2hfd s THR 69 CO 0.02 -0.66 1.17 0.26 -0.54 0.00 0.00 174.62 174.88 2hfd s TRP 70 N 6.40 2.60 -0.63 3.99 0.52 -1.26 -3.96 118.94 126.60 2hfd s TRP 70 Ca 0.69 0.33 -0.27 0.00 0.02 0.00 0.00 56.10 56.87 2hfd s TRP 70 Cb -0.17 -4.48 0.01 0.00 -1.15 0.00 0.00 33.47 27.68 2hfd s TRP 70 CO 0.32 -1.60 1.46 -0.65 0.02 0.00 0.00 176.95 176.50 2hfd s GLN 71 N 4.91 3.13 -0.51 4.98 1.11 -0.45 -4.84 119.66 127.98 2hfd s GLN 71 Ca 0.41 0.27 -0.22 0.00 0.01 0.00 0.00 55.36 55.83 2hfd s GLN 71 Cb -0.08 -4.20 0.04 0.00 -1.01 0.00 0.00 33.01 27.77 2hfd s GLN 71 CO 0.24 -2.17 0.79 0.08 0.01 0.00 0.00 175.29 174.23 2hfd s VAL 72 N 6.58 4.63 -0.19 1.09 1.01 -1.26 -2.13 120.40 130.13 2hfd s VAL 72 Ca 0.50 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.45 2hfd s VAL 72 Cb -0.10 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 2hfd s VAL 72 CO 0.21 -0.91 -0.01 0.00 0.00 0.00 0.00 175.10 174.39 2hfd s ALA 73 N 3.31 3.04 -0.05 5.51 0.00 -0.77 -3.18 121.76 129.63 2hfd s ALA 73 Ca 0.24 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.30 2hfd s ALA 73 Cb -0.15 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 2hfd s ALA 73 CO 0.17 -0.02 -0.10 0.96 0.00 0.00 0.00 175.76 176.77 2hfd s ILE 74 N 0.77 3.40 -0.01 0.00 -4.36 -0.55 -2.07 121.20 118.37 2hfd s ILE 74 Ca -0.00 -0.65 -0.01 0.00 -0.26 0.00 0.00 60.65 59.73 2hfd s ILE 74 Cb -0.14 -2.38 -0.04 0.00 1.25 0.00 0.00 42.46 41.15 2hfd s ILE 74 CO 0.02 0.56 0.10 0.00 0.24 0.00 0.00 174.94 175.86 2hfd s ALA 75 N -0.81 3.67 0.87 2.27 0.00 -1.23 -2.61 121.76 123.92 2hfd s ALA 75 Ca 0.13 -0.84 -0.10 0.00 0.00 0.00 0.00 51.96 51.14 2hfd s ALA 75 Cb -0.11 -1.65 0.12 0.00 0.00 0.00 0.00 23.12 21.48 2hfd s ALA 75 CO 0.02 0.70 1.13 0.34 0.00 0.00 0.00 175.76 177.95 2hfd s ASP 76 N -1.76 3.41 0.12 0.00 2.15 -1.26 -4.57 116.67 114.75 2hfd s ASP 76 Ca 0.24 2.07 -0.25 0.00 0.43 0.00 0.00 52.55 55.04 2hfd s ASP 76 Cb -0.12 -2.55 -0.06 0.00 -0.30 0.00 0.00 42.92 39.89 2hfd s ASP 76 CO 0.15 -2.78 1.66 0.25 -0.17 0.00 0.00 175.17 174.28 2hfd h LEU 77 N -1.64 -0.56 -0.35 -1.34 5.85 -1.98 -1.32 115.31 113.96 2hfd h LEU 77 Ca -0.43 0.08 -0.18 0.00 0.84 0.00 0.00 57.88 58.19 2hfd h LEU 77 Cb 1.26 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.50 2hfd h LEU 77 CO 0.45 -0.26 -0.83 -0.33 -0.34 0.00 0.00 178.44 177.13 2hfd h GLU 78 N -0.31 0.06 0.00 1.25 5.08 -2.00 -3.03 114.58 115.62 2hfd h GLU 78 Ca 0.05 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 2hfd h GLU 78 Cb 0.38 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2hfd h GLU 78 CO -0.17 0.85 -0.26 -0.56 -1.00 0.00 0.00 179.01 177.87 2hfd h GLN 79 N 0.03 0.00 0.00 2.33 3.07 -1.90 -3.04 115.11 115.60 2hfd h GLN 79 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.69 2hfd h GLN 79 Cb 1.46 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.01 2hfd h GLN 79 CO 0.11 0.26 -0.14 0.77 0.09 0.00 0.00 178.83 179.92 2hfd h SER 80 N 0.00 0.00 -0.62 0.06 0.02 -1.11 -0.36 113.55 111.54 2hfd h SER 80 Ca -0.00 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.01 2hfd h SER 80 Cb 1.09 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.57 2hfd h SER 80 CO 0.03 0.14 0.31 -0.33 -1.14 0.00 0.00 176.83 175.85 2hfd h GLU 81 N 0.00 0.56 0.05 3.45 4.39 -1.61 -0.16 114.58 121.25 2hfd h GLU 81 Ca -0.00 -0.03 -0.26 0.00 0.34 0.00 0.00 59.36 59.41 2hfd h GLU 81 Cb 0.26 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2hfd h GLU 81 CO 0.02 0.37 -1.08 0.00 -1.16 0.00 0.00 179.01 177.16 2hfd h ALA 82 N 1.35 0.20 -0.14 3.43 0.00 -1.29 -2.05 119.26 120.76 2hfd h ALA 82 Ca 0.29 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2hfd h ALA 82 Cb 0.23 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2hfd h ALA 82 CO -0.21 0.80 0.00 0.82 0.00 0.00 0.00 179.25 180.66 2hfd h ILE 83 N 0.24 1.25 -0.59 0.00 2.04 -0.89 -0.29 117.51 119.27 2hfd h ILE 83 Ca -0.12 -0.81 -0.06 0.00 1.00 0.00 0.00 64.86 64.87 2hfd h ILE 83 Cb 1.74 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 39.30 2hfd h ILE 83 CO 0.19 0.24 0.14 1.23 0.00 0.00 0.00 178.15 179.96 2hfd h GLY 84 N -0.00 1.01 1.02 5.37 0.00 -1.12 -2.61 103.07 106.73 2hfd h GLY 84 Ca 0.04 -0.64 0.03 0.00 0.00 0.00 0.00 47.33 46.77 2hfd h GLY 84 CO 0.01 0.59 0.59 -1.80 0.00 0.00 0.00 176.54 175.93 2hfd h ASP 85 N 0.85 0.98 0.43 0.19 3.58 -1.20 0.36 116.42 121.60 2hfd h ASP 85 Ca 0.18 -0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.49 2hfd h ASP 85 Cb 0.35 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 2hfd h ASP 85 CO 0.00 0.68 -0.56 -0.09 -2.88 0.00 0.00 179.24 176.39 2hfd h ARG 86 N 1.13 0.14 0.00 0.28 2.43 -0.83 -3.25 114.38 114.28 2hfd h ARG 86 Ca 0.35 -0.09 -0.29 0.00 -0.81 0.00 0.00 59.98 59.15 2hfd h ARG 86 Cb -0.01 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 2hfd h ARG 86 CO -0.10 0.66 -1.75 0.34 -1.51 0.00 0.00 179.97 177.61 2hfd n PHE 87 N -3.90 0.90 0.00 2.20 7.35 -0.76 -4.98 117.46 118.27 2hfd n PHE 87 Ca -0.02 0.32 0.00 0.00 -0.76 0.00 0.00 57.45 56.99 2hfd n PHE 87 Cb 0.57 -1.16 0.00 0.00 0.35 0.00 0.00 39.48 39.25 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 1.56 1.97 3.05 7.13 0.00 0.10 -5.10 105.19 113.89 2hfd n GLY 88 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.00 1.59 -0.02 1.61 1.01 0.17 -4.97 120.40 117.79 2hfd s VAL 89 Ca 0.00 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.34 2hfd s VAL 89 Cb 0.00 -1.46 0.05 0.00 0.00 0.00 0.00 36.38 34.96 2hfd s VAL 89 CO 0.00 0.46 0.98 2.22 0.00 0.00 0.00 175.10 178.76 2hfd n PHE 90 N 4.46 0.00 -2.50 5.22 1.16 -1.26 -3.87 117.46 120.67 2hfd n PHE 90 Ca -0.18 -0.17 0.00 0.00 -1.87 0.00 0.00 57.45 55.23 2hfd n PHE 90 Cb 0.51 -0.06 0.00 0.00 -1.61 0.00 0.00 39.48 38.32 2hfd n PHE 90 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 2hfd n ARG 91 N -0.24 1.89 -1.62 3.97 1.74 -1.26 -4.96 116.66 116.17 2hfd n ARG 91 Ca 0.03 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.69 2hfd n ARG 91 Cb 0.66 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 32.11 2hfd n ARG 91 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 2hfd n PHE 92 N -0.55 1.34 -2.06 -1.55 -1.74 -1.26 -4.86 117.46 106.78 2hfd n PHE 92 Ca 0.00 0.56 -0.41 0.00 -0.56 0.00 0.00 57.45 57.05 2hfd n PHE 92 Cb 0.00 -2.26 -0.02 0.00 1.52 0.00 0.00 39.48 38.73 2hfd n PHE 92 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 2hfd s PRO 93 N -2.00 4.26 0.32 3.97 0.04 -1.26 -5.02 135.00 135.31 2hfd s PRO 93 Ca 0.62 2.25 -0.09 0.00 0.04 0.00 0.00 61.00 63.83 2hfd s PRO 93 Cb -0.56 -3.01 0.04 0.00 0.04 0.00 0.00 34.50 31.01 2hfd s PRO 93 CO 0.57 -0.28 0.59 0.00 0.04 0.00 0.00 177.00 177.92 2hfd n ALA 94 N 0.65 -1.14 -2.59 8.56 0.00 -1.26 -4.96 120.51 119.77 2hfd n ALA 94 Ca 0.01 -1.15 -0.38 0.00 0.00 0.00 0.00 53.44 51.91 2hfd n ALA 94 Cb 0.42 0.92 -0.11 0.00 0.00 0.00 0.00 19.45 20.68 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 -2.40 5.28 -0.29 0.00 2.01 -0.84 -1.21 115.64 118.19 2hfd s THR 95 Ca 0.17 0.26 -0.16 0.00 0.31 0.00 0.00 61.69 62.26 2hfd s THR 95 Cb -0.03 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 2hfd s THR 95 CO 0.12 0.23 0.44 -0.76 -0.69 0.00 0.00 174.62 173.96 2hfd s LEU 96 N 1.82 4.15 -0.24 4.42 1.43 0.87 0.07 118.68 131.19 2hfd s LEU 96 Ca 0.09 0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 53.32 2hfd s LEU 96 Cb -0.16 -2.51 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 2hfd s LEU 96 CO 0.11 -0.29 0.15 0.54 0.23 0.00 0.00 176.35 177.08 2hfd s VAL 97 N 2.20 5.20 -0.16 -1.59 0.11 -1.04 -0.57 120.40 124.55 2hfd s VAL 97 Ca 0.17 0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.35 2hfd s VAL 97 Cb -0.16 -3.43 0.02 0.00 -1.53 0.00 0.00 36.38 31.29 2hfd s VAL 97 CO 0.11 0.34 -0.15 -0.36 -3.33 0.00 0.00 175.10 171.71 2hfd s PHE 98 N 1.12 2.33 -0.23 1.54 0.08 -1.11 -2.10 117.98 119.61 2hfd s PHE 98 Ca 0.07 -1.36 -0.15 0.00 0.12 0.00 0.00 56.93 55.61 2hfd s PHE 98 Cb -0.14 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 2hfd s PHE 98 CO 0.05 -0.71 0.35 0.95 -0.10 0.00 0.00 175.22 175.76 2hfd s THR 99 N 1.43 5.21 -1.29 0.64 -4.23 0.14 -3.39 115.64 114.16 2hfd s THR 99 Ca 0.04 0.59 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 2hfd s THR 99 Cb -0.13 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.02 2hfd s THR 99 CO -0.11 0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 2hfd n GLY 100 N 4.21 1.18 0.65 3.99 0.00 -1.20 -1.14 105.19 112.88 2hfd n GLY 100 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.03 0.61 3.82 -0.02 0.00 -1.25 -4.97 105.19 103.35 2hfd n GLY 101 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.91 6.01 -0.13 1.61 0.01 -0.29 -4.96 114.94 114.27 2hfd s ASN 102 Ca 0.00 0.34 -0.29 0.00 -0.71 0.00 0.00 52.86 52.20 2hfd s ASN 102 Cb 0.00 -1.86 -0.03 0.00 0.41 0.00 0.00 41.25 39.77 2hfd s ASN 102 CO 0.00 0.37 1.49 -0.47 -1.51 0.00 0.00 177.10 176.99 2hfd s TYR 103 N -1.03 2.34 -0.26 2.20 5.04 -1.26 -0.69 117.35 123.68 2hfd s TYR 103 Ca 0.16 0.57 -0.13 0.00 -2.44 0.00 0.00 57.07 55.24 2hfd s TYR 103 Cb -0.12 -3.78 -0.14 0.00 0.35 0.00 0.00 41.96 38.27 2hfd s TYR 103 CO 0.06 -2.84 -0.22 0.54 -1.34 0.00 0.00 175.55 171.75 2hfd n ARG 104 N 7.05 0.60 -3.15 4.97 5.12 -0.89 -4.95 116.66 125.41 2hfd n ARG 104 Ca 0.16 0.30 0.00 0.00 -1.93 0.00 0.00 57.85 56.38 2hfd n ARG 104 Cb 0.44 -1.54 0.00 0.00 -1.16 0.00 0.00 32.46 30.20 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 1.45 -0.99 3.18 -0.13 0.00 -1.24 -5.00 105.19 102.46 2hfd n GLY 105 Ca -0.49 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.46 2hfd n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hfd s VAL 106 N -3.00 1.68 -0.27 1.61 0.11 -1.26 -2.49 120.40 116.77 2hfd s VAL 106 Ca 0.00 -0.85 -0.13 0.00 -2.93 0.00 0.00 61.98 58.07 2hfd s VAL 106 Cb 0.00 -1.44 -0.04 0.00 -1.53 0.00 0.00 36.38 33.37 2hfd s VAL 106 CO 0.00 0.48 0.30 -0.76 -3.33 0.00 0.00 175.10 171.78 2hfd s LEU 107 N 0.03 4.03 -0.03 2.54 1.43 0.11 -4.97 118.68 121.82 2hfd s LEU 107 Ca -0.06 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 2hfd s LEU 107 Cb -0.13 -2.30 0.03 0.00 0.03 0.00 0.00 46.19 43.82 2hfd s LEU 107 CO 0.03 -0.13 0.01 0.54 0.23 0.00 0.00 176.35 177.03 2hfd s ASN 108 N 1.69 0.43 0.00 2.29 4.22 -1.26 -1.98 114.94 120.32 2hfd s ASN 108 Ca 0.12 -0.02 0.00 0.00 -2.14 0.00 0.00 52.86 50.82 2hfd s ASN 108 Cb -0.16 -0.20 0.00 0.00 1.28 0.00 0.00 41.25 42.17 2hfd s ASN 108 CO 0.10 -0.11 0.00 0.61 -2.04 0.00 0.00 177.10 175.66 2hfd n GLY 109 N 4.20 3.80 0.26 0.45 0.00 -1.26 -5.07 105.19 107.57 2hfd n GLY 109 Ca -0.26 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 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 0.93 -0.13 -0.61 2.08 -1.26 -4.89 119.36 115.48 2hfd n ILE 110 Ca 0.00 -0.30 -0.26 0.00 0.56 0.00 0.00 62.75 62.75 2hfd n ILE 110 Cb 0.00 -1.37 -0.10 0.00 -0.75 0.00 0.00 39.64 37.42 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 -3.34 0.26 -1.90 1.39 8.25 -1.26 -4.89 115.22 113.72 2hfd n HIS 111 Ca -0.31 0.11 -0.42 0.00 -0.26 0.00 0.00 57.72 56.84 2hfd n HIS 111 Cb 0.77 -0.98 -0.03 0.00 1.12 0.00 0.00 29.99 30.88 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 -2.50 4.17 -0.20 -0.41 0.02 -1.26 -4.87 135.00 129.95 2hfd s PRO 112 Ca -0.35 2.33 0.03 0.00 0.02 0.00 0.00 61.00 63.02 2hfd s PRO 112 Cb 0.12 -3.97 -0.21 0.00 0.02 0.00 0.00 34.50 30.46 2hfd s PRO 112 CO 0.50 -0.86 0.04 1.87 -0.33 0.00 0.00 177.00 178.23 2hfd n TRP 113 N 6.98 0.41 -0.33 6.54 -0.00 -1.26 -2.24 117.44 127.55 2hfd n TRP 113 Ca 0.18 0.10 -0.03 0.00 -0.00 0.00 0.00 57.50 57.75 2hfd n TRP 113 Cb 0.42 -1.06 0.09 0.00 -0.00 0.00 0.00 31.31 30.77 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 0.25 1.14 0.00 5.87 0.00 -2.00 -0.71 119.26 123.80 2hfd h ALA 114 Ca -0.51 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.17 2hfd h ALA 114 Cb 2.00 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 19.41 2hfd h ALA 114 CO -0.01 0.51 -0.87 0.93 0.00 0.00 0.00 179.25 179.80 2hfd h GLU 115 N 1.18 0.00 -0.61 0.00 5.08 -1.98 -2.82 114.58 115.44 2hfd h GLU 115 Ca 0.33 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.75 2hfd h GLU 115 Cb -0.11 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 2hfd h GLU 115 CO -0.08 0.70 0.32 -0.07 -1.00 0.00 0.00 179.01 178.88 2hfd h LEU 116 N 0.00 0.46 -0.52 1.33 3.38 -0.89 0.22 115.31 119.30 2hfd h LEU 116 Ca -0.04 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2hfd h LEU 116 Cb 1.61 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.29 2hfd h LEU 116 CO 0.09 0.30 0.08 0.40 0.09 0.00 0.00 178.44 179.40 2hfd h ILE 117 N 0.60 1.25 0.51 1.22 2.04 -1.18 -2.30 117.51 119.65 2hfd h ILE 117 Ca 0.27 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 2hfd h ILE 117 Cb 0.18 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2hfd h ILE 117 CO -0.18 0.34 -0.39 -1.13 0.00 0.00 0.00 178.15 176.80 2hfd h ASN 118 N 0.74 -1.01 -0.90 1.72 -0.73 -1.12 -0.83 115.58 113.45 2hfd h ASN 118 Ca 0.16 0.07 0.08 0.00 1.87 0.00 0.00 56.30 58.48 2hfd h ASN 118 Cb 0.41 0.32 -0.07 0.00 0.27 0.00 0.00 38.32 39.25 2hfd h ASN 118 CO 0.01 -0.57 0.56 -0.07 -0.37 0.00 0.00 177.43 176.99 2hfd h LEU 119 N -0.87 0.86 0.04 0.34 3.38 -0.61 0.35 115.31 118.80 2hfd h LEU 119 Ca -0.05 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2hfd h LEU 119 Cb 0.74 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2hfd h LEU 119 CO 0.01 0.52 -0.02 -0.03 0.09 0.00 0.00 178.44 179.01 2hfd h MET 120 N 0.98 -0.05 -0.33 1.13 4.05 -1.16 -1.73 114.93 117.82 2hfd h MET 120 Ca 0.41 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.74 2hfd h MET 120 Cb 0.26 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 2hfd h MET 120 CO -0.20 -0.01 -0.19 -0.09 0.23 0.00 0.00 176.91 176.64 2hfd h ARG 121 N -0.08 0.60 0.00 0.39 2.43 -0.44 -0.05 114.38 117.23 2hfd h ARG 121 Ca -0.01 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 58.93 2hfd h ARG 121 Cb 0.07 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2hfd h ARG 121 CO 0.01 0.76 -0.10 0.78 -1.51 0.00 0.00 179.97 179.91 2hfd h GLY 122 N 0.99 0.00 0.23 2.80 0.00 -0.05 0.13 103.07 107.17 2hfd h GLY 122 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.10 2hfd h GLY 122 CO 0.04 0.00 -1.71 1.04 0.00 0.00 0.00 176.54 175.91 2hfd n LEU 123 N -4.35 2.22 0.10 3.11 4.77 -0.68 -4.44 117.00 117.73 2hfd n LEU 123 Ca -0.03 0.31 -0.02 0.00 -0.03 0.00 0.00 56.01 56.24 2hfd n LEU 123 Cb 0.18 -1.01 -0.00 0.00 -2.33 0.00 0.00 43.42 40.25 2hfd n LEU 123 CO 0.35 0.55 0.33 -0.37 -1.33 0.00 0.00 177.39 176.92 2hfd h VAL 124 N -0.55 1.35 -3.56 4.08 -1.51 -1.00 -3.41 116.25 111.65 2hfd h VAL 124 Ca -0.42 -2.74 -0.69 0.00 -1.23 0.00 0.00 66.70 61.61 2hfd h VAL 124 Cb 1.64 2.56 -0.33 0.00 -2.13 0.00 0.00 31.29 33.03 2hfd h VAL 124 CO -0.11 0.73 -0.58 -0.70 -1.23 0.00 0.00 177.57 175.68 2hfd s GLU 125 N -2.96 2.22 -0.62 5.19 2.12 0.46 -5.05 118.70 120.06 2hfd s GLU 125 Ca 0.02 -1.60 -0.26 0.00 0.36 0.00 0.00 54.97 53.48 2hfd s GLU 125 Cb 0.10 -3.51 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 2hfd s GLU 125 CO 0.78 -0.92 1.87 -2.14 -0.54 0.00 0.00 175.26 174.31 2hfd s PRO 126 N 1.22 2.61 -1.08 4.30 0.02 -1.26 -4.52 135.00 136.29 2hfd s PRO 126 Ca 0.04 0.60 -0.07 0.00 0.02 0.00 0.00 61.00 61.58 2hfd s PRO 126 Cb -0.22 -4.41 0.27 0.00 0.02 0.00 0.00 34.50 30.16 2hfd s PRO 126 CO -0.02 -2.77 1.08 0.94 -0.33 0.00 0.00 177.00 175.90 2hfd n GLN 127 N 9.18 3.44 -2.52 5.54 7.27 -1.26 -4.92 117.38 134.11 2hfd n GLN 127 Ca 0.21 -4.47 -0.43 0.00 0.07 0.00 0.00 57.00 52.39 2hfd n GLN 127 Cb 0.52 -2.52 0.01 0.00 2.41 0.00 0.00 30.24 30.65 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 2.53 3.95 -3.55 3.69 6.02 -1.26 -4.97 117.38 123.80 2hfd n GLN 128 Ca 0.24 -3.84 -0.22 0.00 -0.01 0.00 0.00 57.00 53.17 2hfd n GLN 128 Cb 0.38 -2.78 -0.01 0.00 1.02 0.00 0.00 30.24 28.85 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 -0.71 2.44 -0.76 -1.09 0.41 -1.26 -5.04 118.70 112.69 2hfd s GLU 129 Ca 0.38 -1.66 -0.26 0.00 -0.41 0.00 0.00 54.97 53.01 2hfd s GLU 129 Cb 0.09 -2.36 0.02 0.00 -1.78 0.00 0.00 34.13 30.10 2hfd s GLU 129 CO 0.03 -0.39 1.40 1.03 -0.49 0.00 0.00 175.26 176.84 2hfd s ARG 130 N -4.25 3.15 0.00 1.61 0.52 -1.26 -4.69 118.95 114.03 2hfd s ARG 130 Ca 0.47 -0.24 0.06 0.00 -0.52 0.00 0.00 55.73 55.50 2hfd s ARG 130 Cb -0.04 -4.39 0.09 0.00 0.52 0.00 0.00 34.95 31.13 2hfd s ARG 130 CO 0.28 -2.27 0.84 0.00 0.02 0.00 0.00 175.30 174.16 2hfd n ALA 131 N 9.91 2.38 -0.61 2.13 0.00 -1.26 -5.32 120.51 127.74 2hfd n ALA 131 Ca 0.10 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2hfd n ALA 131 Cb 0.50 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.72 2hfd n ALA 131 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93