#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 6.22 -0.40 7.83 0.01 -1.26 -3.23 113.70 122.88 2hfd s SER 2 Ca 0.00 2.17 -0.03 0.00 1.31 0.00 0.00 55.95 59.41 2hfd s SER 2 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2hfd s SER 2 CO 0.00 -1.30 0.41 0.59 0.41 0.00 0.00 173.24 173.35 2hfd n ASN 3 N 8.69 -5.61 -4.68 2.44 3.02 -1.26 -4.95 115.26 112.91 2hfd n ASN 3 Ca 0.22 0.06 -0.43 0.00 -0.03 0.00 0.00 54.58 54.40 2hfd n ASN 3 Cb 0.43 -3.68 -0.02 0.00 -0.61 0.00 0.00 39.78 35.89 2hfd n ASN 3 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2hfd s ASP 4 N -2.44 7.00 0.38 6.41 1.01 -1.20 -4.66 116.67 123.16 2hfd s ASP 4 Ca 0.04 1.77 0.00 0.00 0.71 0.00 0.00 52.55 55.07 2hfd s ASP 4 Cb -0.01 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.37 2hfd s ASP 4 CO 0.47 -0.67 0.00 0.41 0.21 0.00 0.00 175.17 175.59 2hfd n THR 5 N 4.95 0.00 0.29 -1.27 -1.04 -1.26 -4.81 114.28 111.14 2hfd n THR 5 Ca 0.12 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.00 2hfd n THR 5 Cb 0.46 -0.02 -0.06 0.00 -1.82 0.00 0.00 70.33 68.88 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 -0.77 -0.42 -2.82 0.13 -1.99 0.21 132.00 126.34 2hfd h PRO 6 Ca 0.00 0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 65.12 2hfd h PRO 6 Cb 0.00 0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.29 2hfd h PRO 6 CO 0.00 -0.52 0.01 0.35 -0.23 0.00 0.00 178.00 177.61 2hfd h PHE 7 N -0.80 0.70 -0.08 1.56 3.57 -1.94 0.05 116.94 120.01 2hfd h PHE 7 Ca -0.07 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.37 2hfd h PHE 7 Cb 0.64 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 2hfd h PHE 7 CO -0.01 0.66 -0.12 0.22 -2.23 0.00 0.00 178.31 176.83 2hfd h ASP 8 N 0.64 -0.36 -0.22 0.41 3.58 -1.85 0.27 116.42 118.88 2hfd h ASP 8 Ca 0.13 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 2hfd h ASP 8 Cb 0.38 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 2hfd h ASP 8 CO 0.01 -0.16 0.05 0.00 -2.88 0.00 0.00 179.24 176.26 2hfd h ALA 9 N 0.87 0.29 -0.53 -0.78 0.00 -0.28 -1.93 119.26 116.90 2hfd h ALA 9 Ca 0.07 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.89 2hfd h ALA 9 Cb 0.26 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2hfd h ALA 9 CO -0.17 -0.06 0.21 -0.07 0.00 0.00 0.00 179.25 179.16 2hfd h LEU 10 N 0.18 0.24 0.06 0.00 3.38 -0.63 0.26 115.31 118.79 2hfd h LEU 10 Ca 0.07 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2hfd h LEU 10 Cb 0.28 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2hfd h LEU 10 CO 0.00 0.16 -0.03 -0.25 0.09 0.00 0.00 178.44 178.42 2hfd h TRP 11 N 0.41 -0.07 -0.40 1.13 7.01 -0.40 -2.57 115.95 121.05 2hfd h TRP 11 Ca 0.25 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.29 2hfd h TRP 11 Cb 0.26 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.32 2hfd h TRP 11 CO -0.15 0.06 0.27 1.96 -2.79 0.00 0.00 178.44 177.79 2hfd h GLN 12 N -0.19 0.36 0.70 2.65 1.08 -0.82 0.21 115.11 119.10 2hfd h GLN 12 Ca -0.01 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 2hfd h GLN 12 Cb 0.16 -0.08 0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2hfd h GLN 12 CO 0.01 0.24 -0.34 0.00 -0.95 0.00 0.00 178.83 177.80 2hfd h ARG 13 N 0.37 -0.91 0.00 1.46 2.47 -0.12 -1.48 114.38 116.18 2hfd h ARG 13 Ca 0.17 0.06 -0.11 0.00 -1.26 0.00 0.00 59.98 58.85 2hfd h ARG 13 Cb 0.21 0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.72 2hfd h ARG 13 CO -0.04 -0.59 -0.50 0.00 0.56 0.00 0.00 179.97 179.40 2hfd h MET 14 N -1.00 0.00 -0.45 0.04 -0.00 -1.22 -2.92 114.93 109.38 2hfd h MET 14 Ca -0.10 0.00 0.04 0.00 -0.00 0.00 0.00 59.70 59.64 2hfd h MET 14 Cb 0.74 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.30 2hfd h MET 14 CO 0.16 0.50 0.21 1.25 -0.00 0.00 0.00 176.91 179.04 2hfd h LEU 15 N 0.00 0.30 -0.02 -0.10 7.12 -0.47 -1.50 115.31 120.64 2hfd h LEU 15 Ca -0.01 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.03 2hfd h LEU 15 Cb 0.93 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.03 2hfd h LEU 15 CO 0.07 0.22 0.00 0.00 -0.13 0.00 0.00 178.44 178.59 2hfd n ALA 16 N -2.32 1.65 1.36 1.25 0.00 -0.57 -1.41 120.51 120.48 2hfd n ALA 16 Ca 0.03 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.56 2hfd n ALA 16 Cb 0.12 -1.23 0.58 0.00 0.00 0.00 0.00 19.45 18.92 2hfd n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hfd n ARG 17 N -1.52 0.64 0.00 0.00 1.74 -0.57 -4.90 116.66 112.05 2hfd n ARG 17 Ca 0.03 -0.23 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 2hfd n ARG 17 Cb 0.17 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 2hfd n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hfd n GLY 18 N 1.30 1.38 3.54 -0.13 0.00 -0.50 -5.08 105.19 105.71 2hfd n GLY 18 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 3.21 0.32 1.61 0.51 -1.20 -4.94 118.94 116.45 2hfd s TRP 19 Ca 0.00 -0.03 -0.28 0.00 -2.12 0.00 0.00 56.10 53.67 2hfd s TRP 19 Cb 0.00 -2.67 -0.10 0.00 -0.81 0.00 0.00 33.47 29.89 2hfd s TRP 19 CO 0.00 -0.43 1.18 0.95 -0.51 0.00 0.00 176.95 178.13 2hfd s THR 20 N 2.02 3.19 0.30 2.01 -4.23 -1.14 -4.56 115.64 113.22 2hfd s THR 20 Ca 0.12 1.16 -0.28 0.00 -1.18 0.00 0.00 61.69 61.50 2hfd s THR 20 Cb -0.17 -3.72 -0.09 0.00 1.34 0.00 0.00 72.50 69.86 2hfd s THR 20 CO 0.12 0.24 1.03 -2.84 -0.54 0.00 0.00 174.62 172.63 2hfd s PRO 21 N -1.73 4.60 0.01 3.99 0.02 -1.26 -1.57 135.00 139.06 2hfd s PRO 21 Ca 0.48 1.60 0.07 0.00 0.02 0.00 0.00 61.00 63.18 2hfd s PRO 21 Cb -0.34 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.13 2hfd s PRO 21 CO 0.44 0.23 -0.22 0.54 -0.33 0.00 0.00 177.00 177.66 2hfd s VAL 22 N -1.32 1.75 0.33 3.83 0.11 0.31 -4.84 120.40 120.57 2hfd s VAL 22 Ca 0.47 -1.07 0.07 0.00 -2.93 0.00 0.00 61.98 58.51 2hfd s VAL 22 Cb -0.27 -1.48 -0.02 0.00 -1.53 0.00 0.00 36.38 33.08 2hfd s VAL 22 CO 0.34 0.38 0.40 -0.55 -3.33 0.00 0.00 175.10 172.34 2hfd s SER 23 N -0.82 5.71 0.09 3.54 0.15 -1.26 -4.11 113.70 117.01 2hfd s SER 23 Ca 0.09 -0.31 -0.30 0.00 0.70 0.00 0.00 55.95 56.13 2hfd s SER 23 Cb -0.09 -1.14 -0.14 0.00 -1.71 0.00 0.00 66.02 62.95 2hfd s SER 23 CO 0.00 -0.40 1.63 -0.08 1.20 0.00 0.00 173.24 175.60 2hfd h GLU 24 N 1.04 -0.65 0.00 5.44 4.22 -1.98 0.20 114.58 122.84 2hfd h GLU 24 Ca -0.45 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.03 2hfd h GLU 24 Cb 1.25 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.65 2hfd h GLU 24 CO 0.55 -0.44 0.00 0.45 -2.18 0.00 0.00 179.01 177.39 2hfd n SER 25 N -5.43 0.49 -0.15 1.04 2.88 -1.26 -1.92 113.62 109.29 2hfd n SER 25 Ca -0.10 0.62 0.11 0.00 -1.33 0.00 0.00 58.87 58.17 2hfd n SER 25 Cb 0.33 -0.72 0.07 0.00 -0.75 0.00 0.00 64.21 63.13 2hfd n SER 25 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2hfd n ARG 26 N -2.04 0.39 -0.17 -1.46 5.12 -0.50 -3.81 116.66 114.19 2hfd n ARG 26 Ca 0.03 -0.29 -0.10 0.00 -1.93 0.00 0.00 57.85 55.55 2hfd n ARG 26 Cb 0.23 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 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 0.71 0.92 -0.63 0.55 7.12 0.04 0.18 115.31 124.20 2hfd h LEU 27 Ca 0.00 -0.33 -0.13 0.00 0.13 0.00 0.00 57.88 57.55 2hfd h LEU 27 Cb 0.56 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.43 2hfd h LEU 27 CO 0.00 1.03 -0.27 -0.78 -0.13 0.00 0.00 178.44 178.29 2hfd h ASP 28 N 0.78 0.81 0.58 1.25 3.58 -1.69 -0.23 116.42 121.50 2hfd h ASP 28 Ca 0.14 -0.31 -0.03 0.00 0.42 0.00 0.00 57.03 57.24 2hfd h ASP 28 Cb 0.59 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 41.42 2hfd h ASP 28 CO 0.04 1.04 -0.28 -0.78 -2.88 0.00 0.00 179.24 176.37 2hfd h ASP 29 N 0.68 -0.66 -0.78 2.28 3.58 -1.61 -2.72 116.42 117.19 2hfd h ASP 29 Ca 0.08 0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.65 2hfd h ASP 29 Cb 0.80 0.17 -0.08 0.00 1.72 0.00 0.00 39.33 41.94 2hfd h ASP 29 CO 0.07 -0.44 0.39 -0.25 -2.88 0.00 0.00 179.24 176.13 2hfd h TRP 30 N -0.83 0.70 -0.59 0.28 2.91 -0.55 -0.03 115.95 117.84 2hfd h TRP 30 Ca -0.08 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.02 2hfd h TRP 30 Cb 0.62 -0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 29.02 2hfd h TRP 30 CO -0.03 0.22 0.33 1.25 -1.03 0.00 0.00 178.44 179.18 2hfd h LEU 31 N 0.62 0.49 0.00 0.65 5.85 -0.90 0.18 115.31 122.20 2hfd h LEU 31 Ca 0.40 0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.98 2hfd h LEU 31 Cb 0.48 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 2hfd h LEU 31 CO -0.31 0.33 -0.96 0.00 -0.34 0.00 0.00 178.44 177.16 2hfd h THR 32 N 0.62 1.00 0.00 1.05 1.03 -1.09 -3.32 112.91 112.20 2hfd h THR 32 Ca 0.26 -2.53 -0.22 0.00 -0.01 0.00 0.00 66.41 63.91 2hfd h THR 32 Cb 0.13 2.45 -0.03 0.00 -1.07 0.00 0.00 68.15 69.63 2hfd h THR 32 CO -0.16 0.57 -1.09 1.56 -0.01 0.00 0.00 175.52 176.39 2hfd h GLN 33 N 0.00 0.00 -6.27 0.00 1.08 -0.67 -3.46 115.11 105.80 2hfd h GLN 33 Ca -0.07 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.56 2hfd h GLN 33 Cb 1.59 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.98 2hfd h GLN 33 CO 0.08 0.89 -0.05 0.00 -0.95 0.00 0.00 178.83 178.81 2hfd s ALA 34 N -2.71 3.58 0.14 3.87 0.00 0.59 -4.98 121.76 122.26 2hfd s ALA 34 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.86 2hfd s ALA 34 Cb 0.10 -2.60 -0.05 0.00 0.00 0.00 0.00 23.12 20.56 2hfd s ALA 34 CO 0.82 0.41 1.39 -1.35 0.00 0.00 0.00 175.76 177.03 2hfd h PRO 35 N 4.22 0.71 -2.98 0.00 0.11 -1.87 -3.47 132.00 128.72 2hfd h PRO 35 Ca -0.49 -0.52 0.07 0.00 0.11 0.00 0.00 66.00 65.17 2hfd h PRO 35 Cb 1.21 0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.35 2hfd h PRO 35 CO 0.64 1.14 0.23 0.34 -0.21 0.00 0.00 178.00 180.14 2hfd s ASP 36 N -7.01 -0.28 0.00 -2.05 -1.08 -1.25 -4.05 116.67 100.95 2hfd s ASP 36 Ca -0.09 -0.56 0.00 0.00 -0.52 0.00 0.00 52.55 51.38 2hfd s ASP 36 Cb 0.10 0.71 0.00 0.00 -1.46 0.00 0.00 42.92 42.27 2hfd s ASP 36 CO 0.88 -1.31 0.00 0.61 0.52 0.00 0.00 175.17 175.87 2hfd n GLY 37 N -0.45 -2.01 2.99 2.66 0.00 -1.21 -2.24 105.19 104.93 2hfd n GLY 37 Ca -0.05 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.81 0.37 -0.14 1.61 -7.23 -0.62 -2.42 120.40 110.16 2hfd s VAL 38 Ca 0.00 -0.66 0.02 0.00 -1.81 0.00 0.00 61.98 59.53 2hfd s VAL 38 Cb 0.00 -0.40 0.01 0.00 0.56 0.00 0.00 36.38 36.54 2hfd s VAL 38 CO 0.00 -0.20 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.70 2hfd s VAL 39 N -0.84 2.23 -0.33 1.32 1.01 0.88 -0.22 120.40 124.45 2hfd s VAL 39 Ca -0.06 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 60.86 2hfd s VAL 39 Cb -0.06 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 2hfd s VAL 39 CO -0.00 0.54 0.28 -0.76 0.00 0.00 0.00 175.10 175.16 2hfd s LEU 40 N 0.80 4.38 -0.33 3.92 1.02 0.47 -1.02 118.68 127.92 2hfd s LEU 40 Ca -0.07 -0.24 -0.14 0.00 0.02 0.00 0.00 54.13 53.70 2hfd s LEU 40 Cb -0.16 -2.22 -0.02 0.00 0.02 0.00 0.00 46.19 43.82 2hfd s LEU 40 CO -0.01 -0.23 0.31 -0.76 0.02 0.00 0.00 176.35 175.67 2hfd s LEU 41 N 1.85 4.40 -0.31 1.79 1.02 -1.08 -2.35 118.68 124.00 2hfd s LEU 41 Ca 0.09 -0.24 0.03 0.00 0.02 0.00 0.00 54.13 54.03 2hfd s LEU 41 Cb -0.17 -2.26 0.09 0.00 0.02 0.00 0.00 46.19 43.87 2hfd s LEU 41 CO 0.11 -0.27 0.02 -0.55 0.02 0.00 0.00 176.35 175.68 2hfd s SER 42 N 1.73 4.55 0.00 2.29 0.15 -1.26 -2.66 113.70 118.49 2hfd s SER 42 Ca 0.10 -1.88 0.00 0.00 0.70 0.00 0.00 55.95 54.87 2hfd s SER 42 Cb -0.17 -1.50 0.00 0.00 -1.71 0.00 0.00 66.02 62.65 2hfd s SER 42 CO 0.11 -0.34 0.00 -1.20 1.20 0.00 0.00 173.24 173.02 2hfd n SER 43 N 4.38 0.00 -3.73 5.45 7.64 -1.26 -4.45 113.62 121.65 2hfd n SER 43 Ca -0.01 0.07 -0.13 0.00 1.01 0.00 0.00 58.87 59.81 2hfd n SER 43 Cb 0.42 -0.30 -0.10 0.00 -1.01 0.00 0.00 64.21 63.22 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 -2.68 -0.37 0.56 6.43 1.47 -1.26 -5.03 116.67 115.80 2hfd s ASP 44 Ca 0.00 0.60 -0.20 0.00 1.18 0.00 0.00 52.55 54.13 2hfd s ASP 44 Cb 0.00 0.67 -0.04 0.00 -0.34 0.00 0.00 42.92 43.20 2hfd s ASP 44 CO 0.00 -0.25 1.25 -2.84 0.68 0.00 0.00 175.17 174.01 2hfd s PRO 45 N -0.28 3.12 0.15 2.11 0.02 -1.26 -4.73 135.00 134.13 2hfd s PRO 45 Ca -0.04 1.94 0.02 0.00 0.02 0.00 0.00 61.00 62.94 2hfd s PRO 45 Cb -0.03 -2.09 -0.06 0.00 0.02 0.00 0.00 34.50 32.34 2hfd s PRO 45 CO 0.02 -1.12 1.34 -0.22 -0.33 0.00 0.00 177.00 176.69 2hfd h LYS 46 N 1.21 0.18 0.00 5.54 3.64 -1.97 -3.46 116.57 121.71 2hfd h LYS 46 Ca -0.50 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 58.66 2hfd h LYS 46 Cb 1.29 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 2hfd h LYS 46 CO 0.56 0.98 0.00 -2.13 -2.27 0.00 0.00 179.45 176.60 2hfd n ARG 47 N -3.62 0.00 -1.17 1.90 0.63 -1.26 -5.16 116.66 107.98 2hfd n ARG 47 Ca -0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 2hfd n ARG 47 Cb 0.84 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.75 2hfd n ARG 47 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 2hfd n THR 48 N -2.97 -3.84 -0.10 5.15 -1.04 -1.26 -4.73 114.28 105.48 2hfd n THR 48 Ca 0.00 1.66 -0.06 0.00 -2.04 0.00 0.00 64.05 63.61 2hfd n THR 48 Cb 0.00 -2.34 0.01 0.00 -1.82 0.00 0.00 70.33 66.18 2hfd n THR 48 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2hfd h PRO 49 N 1.03 -0.07 0.00 -2.82 0.11 -2.00 -3.43 132.00 124.82 2hfd h PRO 49 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2hfd h PRO 49 Cb 0.12 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.25 2hfd h PRO 49 CO 0.00 -0.05 0.00 0.39 -0.21 0.00 0.00 178.00 178.13 2hfd n GLU 50 N -5.33 0.00 0.01 1.05 1.02 -1.26 -5.10 120.64 111.02 2hfd n GLU 50 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2hfd n GLU 50 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.66 2hfd n GLU 50 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2hfd n VAL 51 N 0.00 0.00 0.51 2.62 0.31 -1.26 -4.91 118.33 115.59 2hfd n VAL 51 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.45 2hfd n VAL 51 Cb 0.00 -0.05 0.05 0.00 -0.91 0.00 0.00 33.84 32.93 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 -2.54 0.64 0.00 4.52 2.88 -1.26 -4.86 113.62 113.00 2hfd n SER 52 Ca 0.00 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2hfd n SER 52 Cb 0.00 0.64 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 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 -2.08 0.00 -1.27 -3.46 2.03 -1.26 -4.33 116.55 106.18 2hfd n ASP 53 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2hfd n ASP 53 Cb 0.45 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 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 0.14 -1.69 -0.93 1.67 5.15 -1.26 -4.96 115.26 113.38 2hfd n ASN 54 Ca 0.00 0.00 0.03 0.00 -0.60 0.00 0.00 54.58 54.01 2hfd n ASN 54 Cb 0.00 -0.85 0.15 0.00 -0.53 0.00 0.00 39.78 38.55 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 0.15 2.33 -0.32 1.20 -0.04 -1.26 -4.45 135.00 132.61 2hfd n PRO 55 Ca 0.00 -1.19 0.07 0.00 -0.04 0.00 0.00 63.50 62.34 2hfd n PRO 55 Cb 0.00 -1.67 0.23 0.00 -0.04 0.00 0.00 33.50 32.03 2hfd n PRO 55 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2hfd h VAL 56 N 1.59 0.81 0.00 0.52 2.07 -1.97 -0.40 116.25 118.87 2hfd h VAL 56 Ca 0.00 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 2hfd h VAL 56 Cb 0.92 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2hfd h VAL 56 CO 0.15 0.14 -0.10 0.00 0.02 0.00 0.00 177.57 177.78 2hfd h MET 57 N 0.78 0.00 -0.42 1.57 -0.00 -1.98 -1.86 114.93 113.01 2hfd h MET 57 Ca 0.48 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 60.06 2hfd h MET 57 Cb 0.60 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.18 2hfd h MET 57 CO -0.32 0.10 -0.21 0.82 -0.00 0.00 0.00 176.91 177.31 2hfd h ILE 58 N 0.00 1.27 -0.04 -0.10 1.08 -1.41 -1.73 117.51 116.58 2hfd h ILE 58 Ca -0.00 -1.33 -0.01 0.00 -0.39 0.00 0.00 64.86 63.13 2hfd h ILE 58 Cb 0.29 1.16 -0.00 0.00 -3.07 0.00 0.00 36.82 35.20 2hfd h ILE 58 CO 0.01 0.45 0.00 1.23 -0.69 0.00 0.00 178.15 179.15 2hfd h GLY 59 N 0.95 0.08 2.00 5.37 0.00 -1.34 -2.71 103.07 107.42 2hfd h GLY 59 Ca 0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 2hfd h GLY 59 CO 0.06 0.05 -0.24 0.83 0.00 0.00 0.00 176.54 177.24 2hfd h GLU 60 N -0.21 0.00 0.68 4.80 4.39 -1.55 -2.71 114.58 119.98 2hfd h GLU 60 Ca 0.01 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 2hfd h GLU 60 Cb 0.32 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2hfd h GLU 60 CO 0.00 0.24 -0.33 1.25 -1.16 0.00 0.00 179.01 179.02 2hfd h LEU 61 N 0.00 -0.77 -1.78 1.33 5.85 -1.07 -2.96 115.31 115.91 2hfd h LEU 61 Ca -0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2hfd h LEU 61 Cb 0.47 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 2hfd h LEU 61 CO 0.03 -0.52 -0.11 -0.07 -0.34 0.00 0.00 178.44 177.43 2hfd h LEU 62 N -0.95 0.00 0.00 2.25 4.07 -1.41 -2.78 115.31 116.48 2hfd h LEU 62 Ca -0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.87 2hfd h LEU 62 Cb 0.71 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.45 2hfd h LEU 62 CO 0.15 0.11 0.00 0.54 -1.08 0.00 0.00 178.44 178.16 2hfd n ARG 63 N -4.40 0.17 0.00 1.13 5.12 -1.03 -2.18 116.66 115.48 2hfd n ARG 63 Ca -0.03 0.10 0.13 0.00 -1.93 0.00 0.00 57.85 56.12 2hfd n ARG 63 Cb 0.18 -1.50 0.65 0.00 -1.16 0.00 0.00 32.46 30.64 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 -1.39 0.28 -3.76 5.56 0.28 -1.05 -3.87 120.64 116.69 2hfd n GLU 64 Ca 0.08 0.03 -0.31 0.00 -0.16 0.00 0.00 57.16 56.81 2hfd n GLU 64 Cb 0.22 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.49 2hfd n GLU 64 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2hfd n PHE 65 N -1.34 3.58 0.65 -1.84 3.72 -0.92 -4.93 117.46 116.38 2hfd n PHE 65 Ca 0.11 -4.22 0.11 0.00 -0.05 0.00 0.00 57.45 53.41 2hfd n PHE 65 Cb 0.24 -0.79 0.46 0.00 -0.94 0.00 0.00 39.48 38.45 2hfd n PHE 65 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2hfd n PRO 66 N 1.92 0.10 0.21 -1.08 -0.04 -1.25 -2.39 135.00 132.48 2hfd n PRO 66 Ca 0.22 0.21 0.08 0.00 -0.04 0.00 0.00 63.50 63.97 2hfd n PRO 66 Cb 0.36 -1.65 0.45 0.00 -0.04 0.00 0.00 33.50 32.62 2hfd n PRO 66 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2hfd h ASP 67 N 0.00 0.00 -3.72 3.54 5.19 -1.94 -3.40 116.42 116.09 2hfd h ASP 67 Ca 0.00 0.00 -0.64 0.00 -0.62 0.00 0.00 57.03 55.77 2hfd h ASP 67 Cb 0.46 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 39.77 2hfd h ASP 67 CO 0.00 0.28 -0.58 -0.31 -3.12 0.00 0.00 179.24 175.51 2hfd s TYR 68 N -3.75 3.15 -0.65 4.55 2.02 -1.01 -5.04 117.35 116.62 2hfd s TYR 68 Ca -0.00 -0.17 -0.27 0.00 -0.37 0.00 0.00 57.07 56.25 2hfd s TYR 68 Cb 0.11 -2.28 0.03 0.00 -0.40 0.00 0.00 41.96 39.42 2hfd s TYR 68 CO 0.65 -0.24 1.21 0.95 -1.57 0.00 0.00 175.55 176.55 2hfd s THR 69 N 1.58 3.92 -0.69 -0.71 -4.23 -1.26 -4.92 115.64 109.33 2hfd s THR 69 Ca 0.06 0.61 -0.25 0.00 -1.18 0.00 0.00 61.69 60.94 2hfd s THR 69 Cb -0.15 -4.80 0.05 0.00 1.34 0.00 0.00 72.50 68.94 2hfd s THR 69 CO 0.06 -1.55 1.12 0.26 -0.54 0.00 0.00 174.62 173.97 2hfd s TRP 70 N 5.20 2.49 -0.54 3.99 0.52 -1.26 -3.92 118.94 125.42 2hfd s TRP 70 Ca 0.38 -0.26 -0.26 0.00 0.02 0.00 0.00 56.10 55.97 2hfd s TRP 70 Cb -0.08 -4.45 0.03 0.00 -1.15 0.00 0.00 33.47 27.82 2hfd s TRP 70 CO 0.20 -1.84 1.05 -0.65 0.02 0.00 0.00 176.95 175.73 2hfd s GLN 71 N 4.89 3.48 -0.37 4.98 -0.21 -0.95 -4.85 119.66 126.63 2hfd s GLN 71 Ca 0.29 0.10 -0.23 0.00 0.02 0.00 0.00 55.36 55.54 2hfd s GLN 71 Cb -0.12 -4.00 0.01 0.00 1.00 0.00 0.00 33.01 29.90 2hfd s GLN 71 CO 0.13 -1.50 0.78 0.08 -2.12 0.00 0.00 175.29 172.66 2hfd s VAL 72 N 4.34 4.73 -0.19 1.09 1.01 -1.26 -1.58 120.40 128.54 2hfd s VAL 72 Ca 0.38 0.83 -0.04 0.00 0.00 0.00 0.00 61.98 63.16 2hfd s VAL 72 Cb -0.10 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 2hfd s VAL 72 CO 0.24 -0.45 -0.04 0.00 0.00 0.00 0.00 175.10 174.85 2hfd s ALA 73 N 3.10 2.88 -0.07 5.51 0.00 0.69 -2.91 121.76 130.96 2hfd s ALA 73 Ca 0.31 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.26 2hfd s ALA 73 Cb -0.13 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 2hfd s ALA 73 CO 0.17 -0.13 -0.07 0.96 0.00 0.00 0.00 175.76 176.69 2hfd s ILE 74 N 0.97 3.72 0.17 0.00 -4.36 -0.61 -0.40 121.20 120.70 2hfd s ILE 74 Ca 0.00 -0.47 0.06 0.00 -0.26 0.00 0.00 60.65 59.98 2hfd s ILE 74 Cb -0.15 -2.52 -0.04 0.00 1.25 0.00 0.00 42.46 41.00 2hfd s ILE 74 CO 0.01 0.60 0.06 0.00 0.24 0.00 0.00 174.94 175.85 2hfd s ALA 75 N -0.78 3.38 0.91 2.27 0.00 -0.99 -0.53 121.76 126.00 2hfd s ALA 75 Ca 0.12 -1.30 -0.11 0.00 0.00 0.00 0.00 51.96 50.67 2hfd s ALA 75 Cb -0.11 -1.17 0.14 0.00 0.00 0.00 0.00 23.12 21.98 2hfd s ALA 75 CO 0.01 0.49 1.10 0.34 0.00 0.00 0.00 175.76 177.70 2hfd s ASP 76 N -3.03 3.21 0.09 0.00 2.15 -1.26 -4.57 116.67 113.26 2hfd s ASP 76 Ca 0.29 1.77 -0.27 0.00 0.43 0.00 0.00 52.55 54.77 2hfd s ASP 76 Cb -0.10 -2.39 -0.15 0.00 -0.30 0.00 0.00 42.92 39.99 2hfd s ASP 76 CO 0.21 -2.85 1.68 0.25 -0.17 0.00 0.00 175.17 174.30 2hfd h LEU 77 N -1.69 -0.39 -1.12 -1.34 5.85 -1.96 0.26 115.31 114.92 2hfd h LEU 77 Ca -0.48 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.21 2hfd h LEU 77 Cb 1.27 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 2hfd h LEU 77 CO 0.49 -0.25 -0.25 -0.33 -0.34 0.00 0.00 178.44 177.76 2hfd h GLU 78 N -0.40 0.00 0.01 1.25 5.08 -1.93 -2.73 114.58 115.86 2hfd h GLU 78 Ca -0.03 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.09 2hfd h GLU 78 Cb 0.33 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.59 2hfd h GLU 78 CO 0.03 0.25 -1.01 1.96 -1.00 0.00 0.00 179.01 179.25 2hfd h GLN 79 N 0.00 0.55 -0.75 2.33 1.08 -1.81 -3.00 115.11 113.51 2hfd h GLN 79 Ca -0.00 -0.60 0.02 0.00 -1.45 0.00 0.00 58.65 56.62 2hfd h GLN 79 Cb 0.75 0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 28.31 2hfd h GLN 79 CO 0.03 1.22 0.48 0.77 -0.95 0.00 0.00 178.83 180.38 2hfd h SER 80 N 0.30 0.81 -0.62 1.46 0.02 -0.17 0.34 113.55 115.70 2hfd h SER 80 Ca -0.11 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 2hfd h SER 80 Cb 1.65 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.98 2hfd h SER 80 CO 0.19 0.57 0.29 -0.33 -1.14 0.00 0.00 176.83 176.41 2hfd h GLU 81 N 0.96 0.89 -0.26 3.45 4.39 -1.58 0.36 114.58 122.79 2hfd h GLU 81 Ca 0.29 -0.13 -0.19 0.00 0.34 0.00 0.00 59.36 59.66 2hfd h GLU 81 Cb -0.04 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.45 2hfd h GLU 81 CO -0.09 0.72 -0.59 0.00 -1.16 0.00 0.00 179.01 177.89 2hfd h ALA 82 N 1.13 0.42 -0.31 3.43 0.00 -1.22 -1.34 119.26 121.36 2hfd h ALA 82 Ca 0.21 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 2hfd h ALA 82 Cb 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2hfd h ALA 82 CO -0.03 0.67 -0.12 0.82 0.00 0.00 0.00 179.25 180.59 2hfd h ILE 83 N 0.64 1.29 -0.43 0.00 2.04 -0.23 -1.13 117.51 119.68 2hfd h ILE 83 Ca 0.00 -1.20 0.02 0.00 1.00 0.00 0.00 64.86 64.68 2hfd h ILE 83 Cb 1.21 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.67 2hfd h ILE 83 CO 0.13 0.39 0.25 1.23 0.00 0.00 0.00 178.15 180.15 2hfd h GLY 84 N 0.40 0.60 0.44 5.37 0.00 -0.93 -0.99 103.07 107.96 2hfd h GLY 84 Ca 0.07 -0.19 0.07 0.00 0.00 0.00 0.00 47.33 47.29 2hfd h GLY 84 CO 0.04 0.16 0.12 -1.80 0.00 0.00 0.00 176.54 175.06 2hfd h ASP 85 N 0.50 0.06 0.21 0.19 3.58 -1.07 0.36 116.42 120.25 2hfd h ASP 85 Ca 0.17 0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.63 2hfd h ASP 85 Cb 0.02 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2hfd h ASP 85 CO -0.08 0.06 -0.28 -0.09 -2.88 0.00 0.00 179.24 175.97 2hfd h ARG 86 N 0.26 0.13 0.07 0.28 2.43 -0.73 -3.07 114.38 113.74 2hfd h ARG 86 Ca 0.23 -0.04 -0.31 0.00 -0.81 0.00 0.00 59.98 59.05 2hfd h ARG 86 Cb 0.29 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 2hfd h ARG 86 CO -0.28 0.40 -1.68 0.35 -1.51 0.00 0.00 179.97 177.25 2hfd h PHE 87 N 0.11 0.25 0.00 2.20 3.57 -0.48 -3.49 116.94 119.11 2hfd h PHE 87 Ca 0.02 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.33 2hfd h PHE 87 Cb 0.56 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.29 2hfd h PHE 87 CO 0.00 1.31 0.00 0.41 -2.23 0.00 0.00 178.31 177.80 2hfd n GLY 88 N 1.68 0.79 3.98 2.40 0.00 0.12 -5.09 105.19 109.07 2hfd n GLY 88 Ca -0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 2hfd n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hfd s VAL 89 N -1.41 3.44 -0.02 1.61 0.11 -0.59 -5.04 120.40 118.50 2hfd s VAL 89 Ca 0.00 -1.04 -0.00 0.00 -2.93 0.00 0.00 61.98 58.01 2hfd s VAL 89 Cb 0.00 -3.17 -0.00 0.00 -1.53 0.00 0.00 36.38 31.68 2hfd s VAL 89 CO 0.00 -0.07 0.01 -0.26 -3.33 0.00 0.00 175.10 171.45 2hfd h PHE 90 N 0.80 -0.00 0.00 1.54 0.04 -2.00 -3.44 116.94 113.88 2hfd h PHE 90 Ca -0.43 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.34 2hfd h PHE 90 Cb 1.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.42 2hfd h PHE 90 CO 0.42 -0.00 0.00 -2.13 -0.60 0.00 0.00 178.31 176.00 2hfd n ARG 91 N -2.67 0.00 -1.63 1.51 3.00 -1.26 -5.03 116.66 110.58 2hfd n ARG 91 Ca -0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 57.85 57.32 2hfd n ARG 91 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 2hfd n ARG 91 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2hfd n PHE 92 N -0.08 2.02 -2.69 -0.14 3.72 -1.26 -4.83 117.46 114.20 2hfd n PHE 92 Ca 0.00 0.29 -0.42 0.00 -0.05 0.00 0.00 57.45 57.28 2hfd n PHE 92 Cb 0.00 -2.55 -0.04 0.00 -0.94 0.00 0.00 39.48 35.96 2hfd n PHE 92 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2hfd s PRO 93 N 4.48 4.62 0.07 -1.08 0.02 -1.26 -5.01 135.00 136.84 2hfd s PRO 93 Ca 1.00 1.47 -0.14 0.00 0.02 0.00 0.00 61.00 63.35 2hfd s PRO 93 Cb -0.89 -3.41 0.05 0.00 0.02 0.00 0.00 34.50 30.27 2hfd s PRO 93 CO 0.57 0.07 0.65 0.00 -0.33 0.00 0.00 177.00 177.95 2hfd n ALA 94 N 3.30 -1.73 -2.51 -1.55 0.00 -1.09 -5.00 120.51 111.92 2hfd n ALA 94 Ca 0.04 -0.55 -0.43 0.00 0.00 0.00 0.00 53.44 52.50 2hfd n ALA 94 Cb 0.50 0.25 -0.07 0.00 0.00 0.00 0.00 19.45 20.13 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 -2.21 4.88 -0.21 0.00 2.01 -1.26 -2.62 115.64 116.24 2hfd s THR 95 Ca 0.15 0.01 -0.14 0.00 0.31 0.00 0.00 61.69 62.01 2hfd s THR 95 Cb -0.01 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 2hfd s THR 95 CO 0.02 -0.57 0.32 -0.76 -0.69 0.00 0.00 174.62 172.95 2hfd s LEU 96 N 2.68 4.16 -0.16 4.42 1.02 -0.19 -0.65 118.68 129.96 2hfd s LEU 96 Ca 0.20 0.41 -0.06 0.00 0.02 0.00 0.00 54.13 54.70 2hfd s LEU 96 Cb -0.15 -2.39 -0.04 0.00 0.02 0.00 0.00 46.19 43.63 2hfd s LEU 96 CO 0.18 -0.02 0.06 0.54 0.02 0.00 0.00 176.35 177.13 2hfd s VAL 97 N 1.13 4.76 -0.04 -1.59 0.11 -0.67 -0.09 120.40 124.02 2hfd s VAL 97 Ca 0.16 -0.05 0.04 0.00 -2.93 0.00 0.00 61.98 59.19 2hfd s VAL 97 Cb -0.14 -3.11 -0.00 0.00 -1.53 0.00 0.00 36.38 31.59 2hfd s VAL 97 CO 0.06 0.50 -0.15 -0.36 -3.33 0.00 0.00 175.10 171.82 2hfd s PHE 98 N 0.05 1.51 -0.04 1.54 0.08 -1.02 -1.52 117.98 118.58 2hfd s PHE 98 Ca 0.05 -0.42 -0.08 0.00 0.12 0.00 0.00 56.93 56.60 2hfd s PHE 98 Cb -0.12 -1.03 0.01 0.00 -0.57 0.00 0.00 43.02 41.31 2hfd s PHE 98 CO 0.01 -0.15 0.18 0.99 -0.10 0.00 0.00 175.22 176.15 2hfd s THR 99 N 0.10 0.04 -1.40 0.64 2.01 -0.35 -3.35 115.64 113.31 2hfd s THR 99 Ca -0.04 -0.31 -0.08 0.00 0.31 0.00 0.00 61.69 61.57 2hfd s THR 99 Cb -0.11 -0.36 0.04 0.00 0.01 0.00 0.00 72.50 72.08 2hfd s THR 99 CO 0.02 -0.17 0.57 0.61 -0.69 0.00 0.00 174.62 174.95 2hfd n GLY 100 N 2.24 -0.50 2.55 4.40 0.00 -1.26 -0.38 105.19 112.24 2hfd n GLY 100 Ca -0.17 0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 2hfd n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hfd n GLY 101 N -1.35 0.51 3.52 -0.02 0.00 -1.26 -4.98 105.19 101.62 2hfd n GLY 101 Ca -0.05 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.23 3.37 -0.26 1.61 0.01 0.49 -5.12 114.94 112.81 2hfd s ASN 102 Ca 0.00 -1.26 -0.17 0.00 -0.71 0.00 0.00 52.86 50.72 2hfd s ASN 102 Cb 0.00 -0.29 -0.03 0.00 0.41 0.00 0.00 41.25 41.34 2hfd s ASN 102 CO 0.00 -0.35 0.45 -0.47 -1.51 0.00 0.00 177.10 175.22 2hfd s TYR 103 N -2.82 3.26 -0.11 2.20 5.04 -1.26 -1.22 117.35 122.45 2hfd s TYR 103 Ca 0.33 0.54 -0.15 0.00 -2.44 0.00 0.00 57.07 55.36 2hfd s TYR 103 Cb 0.06 -2.65 -0.13 0.00 0.35 0.00 0.00 41.96 39.59 2hfd s TYR 103 CO 0.16 -0.25 0.43 0.00 -1.34 0.00 0.00 175.55 174.54 2hfd h ARG 104 N 8.05 -0.03 0.00 4.97 2.47 -1.60 -3.48 114.38 124.77 2hfd h ARG 104 Ca -0.30 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 2hfd h ARG 104 Cb 1.15 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 2hfd h ARG 104 CO 0.69 0.44 0.00 0.41 0.56 0.00 0.00 179.97 182.07 2hfd n GLY 105 N 1.57 -1.09 3.09 0.04 0.00 -1.21 -4.88 105.19 102.70 2hfd n GLY 105 Ca -0.05 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.58 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 1.27 -0.73 1.61 0.11 -1.26 -1.66 120.40 116.74 2hfd s VAL 106 Ca 0.00 -0.62 -0.27 0.00 -2.93 0.00 0.00 61.98 58.16 2hfd s VAL 106 Cb 0.00 -1.11 0.03 0.00 -1.53 0.00 0.00 36.38 33.77 2hfd s VAL 106 CO 0.00 0.38 1.27 -0.76 -3.33 0.00 0.00 175.10 172.65 2hfd s LEU 107 N 0.18 3.21 0.00 2.54 1.43 0.18 -4.80 118.68 121.43 2hfd s LEU 107 Ca -0.06 -0.44 0.26 0.00 -1.03 0.00 0.00 54.13 52.86 2hfd s LEU 107 Cb -0.12 -2.58 0.62 0.00 0.03 0.00 0.00 46.19 44.14 2hfd s LEU 107 CO 0.02 -1.81 1.48 0.59 0.23 0.00 0.00 176.35 176.87 2hfd n ASN 108 N 9.28 0.71 -4.80 2.29 5.03 -1.26 -4.05 115.26 122.46 2hfd n ASN 108 Ca 0.03 -0.51 -0.36 0.00 0.87 0.00 0.00 54.58 54.60 2hfd n ASN 108 Cb 0.49 0.20 -0.06 0.00 -1.02 0.00 0.00 39.78 39.38 2hfd n ASN 108 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2hfd s GLY 109 N -2.79 2.71 0.18 7.41 0.00 -1.26 -4.95 107.32 108.62 2hfd s GLY 109 Ca 0.17 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.25 2hfd s GLY 109 CO 0.62 0.77 0.00 1.39 0.00 0.00 0.00 173.10 175.88 2hfd n ILE 110 N 0.61 0.15 -0.06 0.90 2.08 -1.26 -5.00 119.36 116.77 2hfd n ILE 110 Ca 0.00 0.05 -0.03 0.00 0.56 0.00 0.00 62.75 63.33 2hfd n ILE 110 Cb 0.51 -0.68 -0.01 0.00 -0.75 0.00 0.00 39.64 38.70 2hfd n ILE 110 CO 0.00 0.00 0.00 -0.74 0.56 0.00 0.00 176.55 176.37 2hfd h HIS 111 N 0.00 0.00 -2.57 1.39 2.76 -2.01 -3.46 115.15 111.27 2hfd h HIS 111 Ca 0.00 0.00 -0.53 0.00 -2.20 0.00 0.00 60.37 57.64 2hfd h HIS 111 Cb 0.06 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.04 2hfd h HIS 111 CO 0.00 0.00 1.09 -2.14 -1.30 0.00 0.00 177.93 175.58 2hfd s PRO 112 N -1.95 4.16 -0.07 5.26 0.02 -1.26 -4.91 135.00 136.26 2hfd s PRO 112 Ca -0.10 2.46 -0.26 0.00 0.02 0.00 0.00 61.00 63.13 2hfd s PRO 112 Cb 0.01 -3.72 -0.24 0.00 0.02 0.00 0.00 34.50 30.57 2hfd s PRO 112 CO 0.15 -0.82 0.98 2.35 -0.33 0.00 0.00 177.00 179.32 2hfd h TRP 113 N 8.91 0.17 -0.53 6.54 -0.00 -1.99 -0.72 115.95 128.33 2hfd h TRP 113 Ca -0.45 -0.10 0.00 0.00 -0.00 0.00 0.00 58.89 58.35 2hfd h TRP 113 Cb 1.21 -0.02 -0.03 0.00 -0.00 0.00 0.00 29.16 30.33 2hfd h TRP 113 CO 0.82 0.92 0.34 0.00 -0.00 0.00 0.00 178.44 180.53 2hfd h ALA 114 N 0.21 1.60 -0.02 2.65 0.00 -2.00 -1.16 119.26 120.54 2hfd h ALA 114 Ca -0.02 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.59 2hfd h ALA 114 Cb 0.98 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 18.57 2hfd h ALA 114 CO 0.03 0.36 -0.99 1.49 0.00 0.00 0.00 179.25 180.15 2hfd h GLU 115 N 0.72 0.70 -0.62 0.00 4.81 -1.96 -2.96 114.58 115.27 2hfd h GLU 115 Ca 0.19 -0.73 0.04 0.00 -0.13 0.00 0.00 59.36 58.74 2hfd h GLU 115 Cb -0.07 0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 2hfd h GLU 115 CO -0.04 1.31 0.35 1.25 -0.73 0.00 0.00 179.01 181.15 2hfd h LEU 116 N 0.38 0.54 -0.50 1.64 5.85 -0.42 -0.44 115.31 122.36 2hfd h LEU 116 Ca -0.12 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.64 2hfd h LEU 116 Cb 1.64 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.55 2hfd h LEU 116 CO 0.20 0.37 0.30 0.40 -0.34 0.00 0.00 178.44 179.36 2hfd h ILE 117 N 0.67 1.06 -0.71 4.05 2.04 -1.28 -2.24 117.51 121.09 2hfd h ILE 117 Ca 0.27 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 2hfd h ILE 117 Cb 0.11 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 2hfd h ILE 117 CO -0.15 0.11 0.39 -1.13 0.00 0.00 0.00 178.15 177.37 2hfd h ASN 118 N 0.60 0.90 -0.11 1.72 -1.24 -1.14 0.15 115.58 116.45 2hfd h ASN 118 Ca 0.20 -0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.11 2hfd h ASN 118 Cb 0.01 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.83 2hfd h ASN 118 CO -0.09 0.74 0.07 -0.07 -1.29 0.00 0.00 177.43 176.79 2hfd h LEU 119 N 0.98 0.13 -0.91 0.34 3.38 -0.85 0.62 115.31 119.00 2hfd h LEU 119 Ca 0.25 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.12 2hfd h LEU 119 Cb 0.05 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2hfd h LEU 119 CO -0.04 0.11 -0.09 -0.03 0.09 0.00 0.00 178.44 178.49 2hfd h MET 120 N 0.14 0.71 -0.59 1.13 4.05 -1.05 -1.57 114.93 117.75 2hfd h MET 120 Ca 0.04 -0.22 0.06 0.00 -0.28 0.00 0.00 59.70 59.30 2hfd h MET 120 Cb 0.00 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 30.68 2hfd h MET 120 CO -0.01 0.78 0.30 -0.09 0.23 0.00 0.00 176.91 178.12 2hfd h ARG 121 N 0.65 0.54 -0.02 0.39 2.43 -0.32 0.22 114.38 118.27 2hfd h ARG 121 Ca 0.12 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.15 2hfd h ARG 121 Cb 0.53 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2hfd h ARG 121 CO 0.03 0.35 -0.49 0.78 -1.51 0.00 0.00 179.97 179.14 2hfd h GLY 122 N 0.55 0.06 1.49 2.80 0.00 -0.36 0.23 103.07 107.85 2hfd h GLY 122 Ca 0.27 -0.06 -0.26 0.00 0.00 0.00 0.00 47.33 47.28 2hfd h GLY 122 CO -0.20 0.06 -1.12 1.41 0.00 0.00 0.00 176.54 176.69 2hfd h LEU 123 N 0.05 0.60 0.23 3.11 3.38 -0.63 -2.95 115.31 119.09 2hfd h LEU 123 Ca -0.00 -0.54 -0.34 0.00 0.09 0.00 0.00 57.88 57.08 2hfd h LEU 123 Cb 0.88 -0.19 0.03 0.00 0.09 0.00 0.00 40.66 41.47 2hfd h LEU 123 CO 0.07 1.37 -1.58 -0.37 0.09 0.00 0.00 178.44 178.02 2hfd h VAL 124 N 0.20 1.16 -3.33 1.22 -1.51 -0.50 -3.42 116.25 110.08 2hfd h VAL 124 Ca -0.13 -2.65 -0.62 0.00 -1.23 0.00 0.00 66.70 62.08 2hfd h VAL 124 Cb 1.79 2.94 -0.40 0.00 -2.13 0.00 0.00 31.29 33.49 2hfd h VAL 124 CO 0.20 0.83 -0.73 -0.70 -1.23 0.00 0.00 177.57 175.94 2hfd s GLU 125 N -2.59 1.19 0.47 5.19 2.56 0.81 -5.08 118.70 121.25 2hfd s GLU 125 Ca -0.11 -1.66 -0.08 0.00 0.00 0.00 0.00 54.97 53.12 2hfd s GLU 125 Cb 0.05 -2.59 0.11 0.00 2.00 0.00 0.00 34.13 33.70 2hfd s GLU 125 CO 0.91 -1.01 0.50 -0.35 -0.56 0.00 0.00 175.26 174.74 2hfd n PRO 126 N 4.25 -1.39 0.00 4.30 -0.04 -1.11 -4.14 135.00 136.87 2hfd n PRO 126 Ca 0.03 -0.78 0.00 0.00 -0.04 0.00 0.00 63.50 62.70 2hfd n PRO 126 Cb 0.40 -0.64 0.00 0.00 -0.04 0.00 0.00 33.50 33.22 2hfd n PRO 126 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2hfd n GLN 127 N -2.63 0.00 -3.18 0.54 7.27 -1.26 -4.76 117.38 113.36 2hfd n GLN 127 Ca 0.07 0.00 -0.45 0.00 0.07 0.00 0.00 57.00 56.69 2hfd n GLN 127 Cb 0.24 -0.19 -0.00 0.00 2.41 0.00 0.00 30.24 32.71 2hfd n GLN 127 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2hfd s GLN 128 N 0.00 4.12 0.04 3.69 -0.21 -1.26 -4.77 119.66 121.27 2hfd s GLN 128 Ca 0.00 -2.90 0.00 0.00 0.02 0.00 0.00 55.36 52.48 2hfd s GLN 128 Cb 0.00 -4.76 0.00 0.00 1.00 0.00 0.00 33.01 29.25 2hfd s GLN 128 CO 0.00 -1.46 0.00 0.39 -2.12 0.00 0.00 175.29 172.10 2hfd n GLU 129 N 4.00 -1.04 -2.20 2.91 4.71 -1.26 -4.49 120.64 123.27 2hfd n GLU 129 Ca 0.28 1.08 -0.01 0.00 -0.01 0.00 0.00 57.16 58.50 2hfd n GLU 129 Cb 0.41 -0.80 0.05 0.00 -1.01 0.00 0.00 31.44 30.09 2hfd n GLU 129 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 2hfd n ARG 130 N 0.25 0.98 -1.64 3.49 0.63 -1.26 -3.96 116.66 115.15 2hfd n ARG 130 Ca 0.00 -2.10 -0.43 0.00 -0.92 0.00 0.00 57.85 54.39 2hfd n ARG 130 Cb 0.00 -0.33 -0.03 0.00 0.45 0.00 0.00 32.46 32.55 2hfd n ARG 130 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2hfd n ALA 131 N -0.56 1.54 -1.14 5.13 0.00 -1.26 -5.06 120.51 119.15 2hfd n ALA 131 Ca -0.07 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2hfd n ALA 131 Cb 0.88 -2.72 0.00 0.00 0.00 0.00 0.00 19.45 17.60 2hfd n ALA 131 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93