#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfd n SER 2 N 0.00 0.00 -4.88 7.83 7.64 -1.26 -4.77 113.62 118.18 2hfd n SER 2 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 2hfd n SER 2 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2hfd n SER 2 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2hfd s ASN 3 N -0.93 6.31 -0.20 6.43 0.01 -1.26 -5.08 114.94 120.22 2hfd s ASN 3 Ca 0.00 0.39 -0.09 0.00 -0.71 0.00 0.00 52.86 52.45 2hfd s ASN 3 Cb 0.00 -2.00 -0.05 0.00 0.41 0.00 0.00 41.25 39.61 2hfd s ASN 3 CO 0.00 0.33 0.11 1.51 -1.51 0.00 0.00 177.10 177.54 2hfd s ASP 4 N -1.49 5.97 0.35 -1.22 1.47 -1.26 -4.83 116.67 115.66 2hfd s ASP 4 Ca 0.21 0.16 0.00 0.00 1.18 0.00 0.00 52.55 54.10 2hfd s ASP 4 Cb -0.12 -2.04 0.00 0.00 -0.34 0.00 0.00 42.92 40.42 2hfd s ASP 4 CO 0.11 0.17 0.00 0.41 0.68 0.00 0.00 175.17 176.54 2hfd n THR 5 N 3.59 0.00 -0.16 2.11 -1.04 -1.26 -4.72 114.28 112.80 2hfd n THR 5 Ca -0.16 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.73 2hfd n THR 5 Cb 0.52 -0.02 -0.00 0.00 -1.82 0.00 0.00 70.33 69.01 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 0.96 -0.61 -2.82 0.13 -1.99 -0.62 132.00 127.06 2hfd h PRO 6 Ca 0.00 -0.40 -0.08 0.00 -0.87 0.00 0.00 66.00 64.64 2hfd h PRO 6 Cb 0.00 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.07 2hfd h PRO 6 CO 0.00 1.07 0.05 0.35 -0.23 0.00 0.00 178.00 179.24 2hfd h PHE 7 N 0.81 1.10 0.18 1.56 3.57 -1.90 0.28 116.94 122.54 2hfd h PHE 7 Ca 0.11 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 2hfd h PHE 7 Cb 0.76 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 2hfd h PHE 7 CO 0.05 0.95 -0.10 0.22 -2.23 0.00 0.00 178.31 177.21 2hfd h ASP 8 N 0.95 -0.25 -0.70 0.41 3.58 -1.82 0.73 116.42 119.32 2hfd h ASP 8 Ca 0.18 0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.71 2hfd h ASP 8 Cb 0.49 0.07 -0.06 0.00 1.72 0.00 0.00 39.33 41.55 2hfd h ASP 8 CO 0.02 -0.17 0.39 0.00 -2.88 0.00 0.00 179.24 176.60 2hfd h ALA 9 N 0.55 0.96 0.06 -0.78 0.00 -0.92 0.12 119.26 119.25 2hfd h ALA 9 Ca -0.02 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2hfd h ALA 9 Cb 0.22 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2hfd h ALA 9 CO 0.03 0.05 -0.26 -0.07 0.00 0.00 0.00 179.25 179.00 2hfd h LEU 10 N 0.70 -0.76 -1.05 0.00 -0.00 0.01 -1.58 115.31 112.63 2hfd h LEU 10 Ca 0.32 0.10 -0.08 0.00 -0.00 0.00 0.00 57.88 58.22 2hfd h LEU 10 Cb 0.23 0.30 -0.01 0.00 -0.00 0.00 0.00 40.66 41.18 2hfd h LEU 10 CO -0.20 -0.34 -0.17 -0.25 -0.00 0.00 0.00 178.44 177.47 2hfd h TRP 11 N -0.44 0.52 -0.77 1.13 7.01 -0.35 -1.64 115.95 121.39 2hfd h TRP 11 Ca 0.04 -0.09 -0.01 0.00 2.11 0.00 0.00 58.89 60.95 2hfd h TRP 11 Cb 0.49 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.38 2hfd h TRP 11 CO -0.27 0.62 0.45 1.96 -2.79 0.00 0.00 178.44 178.42 2hfd h GLN 12 N 0.43 1.06 0.35 2.65 1.08 -0.45 0.42 115.11 120.66 2hfd h GLN 12 Ca 0.07 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 2hfd h GLN 12 Cb 0.55 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 2hfd h GLN 12 CO 0.04 0.75 -0.17 0.00 -0.95 0.00 0.00 178.83 178.50 2hfd h ARG 13 N 1.07 -0.46 -0.48 1.46 2.47 -0.53 -1.56 114.38 116.35 2hfd h ARG 13 Ca 0.28 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 59.02 2hfd h ARG 13 Cb -0.02 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 2hfd h ARG 13 CO -0.05 -0.25 0.27 0.52 0.56 0.00 0.00 179.97 181.02 2hfd h MET 14 N -0.56 0.65 -0.02 0.04 2.86 -0.81 -1.97 114.93 115.11 2hfd h MET 14 Ca -0.05 -0.06 -0.17 0.00 -2.06 0.00 0.00 59.70 57.36 2hfd h MET 14 Cb 0.42 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2hfd h MET 14 CO 0.08 0.47 -0.75 -0.07 1.06 0.00 0.00 176.91 177.70 2hfd h LEU 15 N 0.66 0.20 -1.72 1.22 -0.00 -0.10 -2.76 115.31 112.81 2hfd h LEU 15 Ca 0.17 -0.14 -0.02 0.00 -0.00 0.00 0.00 57.88 57.89 2hfd h LEU 15 Cb 0.00 -0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 40.60 2hfd h LEU 15 CO -0.03 0.87 -0.12 0.00 -0.00 0.00 0.00 178.44 179.17 2hfd h ALA 16 N 1.12 1.13 0.00 1.53 0.00 -0.52 -1.74 119.26 120.78 2hfd h ALA 16 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2hfd h ALA 16 Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2hfd h ALA 16 CO 0.11 0.15 0.00 0.54 0.00 0.00 0.00 179.25 180.05 2hfd n ARG 17 N -3.42 0.04 -1.43 0.00 5.12 -1.03 -4.91 116.66 111.02 2hfd n ARG 17 Ca -0.01 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 2hfd n ARG 17 Cb 0.29 -1.55 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 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 1.40 0.55 3.82 -0.13 0.00 -0.66 -5.04 105.19 105.13 2hfd n GLY 18 Ca 0.07 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 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 3.76 -0.22 1.61 0.51 -1.18 -5.05 118.94 116.38 2hfd s TRP 19 Ca 0.00 1.22 -0.18 0.00 -2.12 0.00 0.00 56.10 55.02 2hfd s TRP 19 Cb 0.00 -2.46 -0.03 0.00 -0.81 0.00 0.00 33.47 30.16 2hfd s TRP 19 CO 0.00 0.56 0.48 0.99 -0.51 0.00 0.00 176.95 178.47 2hfd s THR 20 N -1.18 5.12 0.04 2.01 2.01 -1.26 -4.69 115.64 117.70 2hfd s THR 20 Ca 0.30 0.86 -0.31 0.00 0.31 0.00 0.00 61.69 62.86 2hfd s THR 20 Cb -0.18 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 68.46 2hfd s THR 20 CO 0.19 0.17 1.37 -2.16 -0.69 0.00 0.00 174.62 173.50 2hfd s PRO 21 N 1.72 4.31 -0.02 4.92 0.04 -1.26 -2.54 135.00 142.17 2hfd s PRO 21 Ca 0.22 1.97 0.03 0.00 0.04 0.00 0.00 61.00 63.26 2hfd s PRO 21 Cb -0.15 -3.45 -0.00 0.00 0.04 0.00 0.00 34.50 30.94 2hfd s PRO 21 CO 0.09 -0.49 -0.11 0.54 0.04 0.00 0.00 177.00 177.07 2hfd s VAL 22 N 1.84 0.90 0.85 -0.36 0.11 -0.74 -4.95 120.40 118.05 2hfd s VAL 22 Ca 0.63 -0.44 -0.11 0.00 -2.93 0.00 0.00 61.98 59.14 2hfd s VAL 22 Cb -0.33 -0.78 0.10 0.00 -1.53 0.00 0.00 36.38 33.84 2hfd s VAL 22 CO 0.28 0.27 1.10 -0.44 -3.33 0.00 0.00 175.10 172.98 2hfd s SER 23 N 0.06 3.81 0.11 3.54 0.01 -1.26 -4.65 113.70 115.33 2hfd s SER 23 Ca -0.01 1.79 -0.33 0.00 1.31 0.00 0.00 55.95 58.70 2hfd s SER 23 Cb -0.08 -2.43 -0.12 0.00 0.21 0.00 0.00 66.02 63.60 2hfd s SER 23 CO 0.00 -2.47 1.54 -0.08 0.41 0.00 0.00 173.24 172.64 2hfd h GLU 24 N -1.43 -0.54 0.00 12.44 4.22 -1.98 0.16 114.58 127.45 2hfd h GLU 24 Ca -0.46 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.02 2hfd h GLU 24 Cb 1.26 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.63 2hfd h GLU 24 CO 0.50 -0.36 0.00 0.43 -2.18 0.00 0.00 179.01 177.41 2hfd n SER 25 N -5.35 0.03 0.05 1.04 7.64 -1.26 -2.51 113.62 113.26 2hfd n SER 25 Ca -0.06 0.50 0.07 0.00 1.01 0.00 0.00 58.87 60.39 2hfd n SER 25 Cb 0.37 -0.51 -0.06 0.00 -1.01 0.00 0.00 64.21 62.99 2hfd n SER 25 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2hfd n ARG 26 N -1.53 0.62 -0.22 1.43 3.00 -0.70 -3.96 116.66 115.30 2hfd n ARG 26 Ca 0.06 0.09 -0.05 0.00 -0.00 0.00 0.00 57.85 57.96 2hfd n ARG 26 Cb 0.32 -1.75 0.06 0.00 0.00 0.00 0.00 32.46 31.08 2hfd n ARG 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2hfd h LEU 27 N 0.00 0.64 -0.68 6.15 7.12 -0.41 -1.79 115.31 126.34 2hfd h LEU 27 Ca -0.08 -0.00 -0.09 0.00 0.13 0.00 0.00 57.88 57.84 2hfd h LEU 27 Cb 1.23 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 41.20 2hfd h LEU 27 CO 0.01 0.45 0.00 -0.78 -0.13 0.00 0.00 178.44 178.00 2hfd h ASP 28 N 0.77 1.00 0.51 1.25 3.58 -1.69 -0.61 116.42 121.23 2hfd h ASP 28 Ca 0.24 -0.28 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 2hfd h ASP 28 Cb -0.00 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.78 2hfd h ASP 28 CO -0.09 1.05 -0.24 -0.78 -2.88 0.00 0.00 179.24 176.30 2hfd h ASP 29 N 0.94 -0.58 0.09 2.28 1.82 -1.60 -2.23 116.42 117.15 2hfd h ASP 29 Ca 0.17 -0.06 -0.09 0.00 -0.39 0.00 0.00 57.03 56.66 2hfd h ASP 29 Cb 0.54 0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.69 2hfd h ASP 29 CO 0.03 -0.27 -0.31 -0.25 -1.61 0.00 0.00 179.24 176.83 2hfd h TRP 30 N -0.89 0.37 -0.64 0.28 7.01 -1.35 -2.76 115.95 117.97 2hfd h TRP 30 Ca -0.07 -0.08 -0.04 0.00 2.11 0.00 0.00 58.89 60.81 2hfd h TRP 30 Cb 0.60 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.54 2hfd h TRP 30 CO -0.00 0.61 0.26 1.25 -2.79 0.00 0.00 178.44 177.77 2hfd h LEU 31 N 0.29 0.88 -0.84 0.65 5.85 -1.04 -0.86 115.31 120.25 2hfd h LEU 31 Ca 0.04 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 2hfd h LEU 31 Cb 0.70 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2hfd h LEU 31 CO 0.05 0.81 -0.38 0.00 -0.34 0.00 0.00 178.44 178.58 2hfd h THR 32 N 0.90 0.86 0.00 1.05 1.03 -1.23 -2.11 112.91 113.41 2hfd h THR 32 Ca 0.21 -1.58 0.00 0.00 -0.01 0.00 0.00 66.41 65.03 2hfd h THR 32 Cb 0.20 1.98 0.00 0.00 -1.07 0.00 0.00 68.15 69.26 2hfd h THR 32 CO -0.02 0.37 0.00 1.56 -0.01 0.00 0.00 175.52 177.43 2hfd h GLN 33 N 0.00 0.00 -6.97 0.00 4.20 -1.17 -3.46 115.11 107.72 2hfd h GLN 33 Ca -0.00 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.21 2hfd h GLN 33 Cb 0.95 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.75 2hfd h GLN 33 CO 0.05 0.00 0.17 0.00 -0.67 0.00 0.00 178.83 178.38 2hfd s ALA 34 N -3.29 3.32 -0.02 3.87 0.00 -0.37 -5.04 121.76 120.23 2hfd s ALA 34 Ca 0.06 -0.27 -0.08 0.00 0.00 0.00 0.00 51.96 51.67 2hfd s ALA 34 Cb 0.07 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 2hfd s ALA 34 CO 0.63 -0.24 0.51 -1.35 0.00 0.00 0.00 175.76 175.31 2hfd h PRO 35 N 0.64 -0.27 -4.33 0.00 0.11 -1.82 -3.48 132.00 122.84 2hfd h PRO 35 Ca -0.47 0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.48 2hfd h PRO 35 Cb 1.19 0.06 -0.14 0.00 0.11 0.00 0.00 31.00 32.23 2hfd h PRO 35 CO 0.63 -0.18 -0.53 -0.51 -0.21 0.00 0.00 178.00 177.20 2hfd s ASP 36 N -3.81 0.15 0.00 -2.05 1.11 -1.23 -4.44 116.67 106.39 2hfd s ASP 36 Ca -0.04 -1.21 0.00 0.00 0.18 0.00 0.00 52.55 51.47 2hfd s ASP 36 Cb 0.00 0.39 0.00 0.00 1.07 0.00 0.00 42.92 44.38 2hfd s ASP 36 CO 0.12 -0.85 0.00 0.61 1.18 0.00 0.00 175.17 176.23 2hfd n GLY 37 N -0.23 -1.18 3.01 0.21 0.00 -1.24 -0.15 105.19 105.61 2hfd n GLY 37 Ca -0.02 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.18 0.25 -0.12 1.61 -7.23 -0.49 -1.89 120.40 110.35 2hfd s VAL 38 Ca 0.00 -0.97 0.03 0.00 -1.81 0.00 0.00 61.98 59.24 2hfd s VAL 38 Cb 0.00 -0.37 0.00 0.00 0.56 0.00 0.00 36.38 36.57 2hfd s VAL 38 CO 0.00 -0.46 -0.23 -0.69 -0.31 0.00 0.00 175.10 173.41 2hfd s VAL 39 N -1.44 2.06 -0.17 1.32 1.01 -0.44 -1.22 120.40 121.53 2hfd s VAL 39 Ca -0.14 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 60.71 2hfd s VAL 39 Cb -0.10 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 2hfd s VAL 39 CO -0.01 0.56 0.23 -0.76 0.00 0.00 0.00 175.10 175.12 2hfd s LEU 40 N 0.52 4.24 -0.03 3.92 1.02 -0.65 -0.31 118.68 127.39 2hfd s LEU 40 Ca -0.14 0.41 -0.01 0.00 0.02 0.00 0.00 54.13 54.41 2hfd s LEU 40 Cb -0.17 -2.26 -0.00 0.00 0.02 0.00 0.00 46.19 43.77 2hfd s LEU 40 CO 0.05 0.14 -0.01 -0.07 0.02 0.00 0.00 176.35 176.47 2hfd h LEU 41 N 6.62 0.00 1.34 1.79 3.38 -1.68 -3.17 115.31 123.59 2hfd h LEU 41 Ca -0.41 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.16 2hfd h LEU 41 Cb 1.16 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.94 2hfd h LEU 41 CO 0.75 0.15 -0.58 -1.20 0.09 0.00 0.00 178.44 177.65 2hfd n SER 42 N -2.76 -5.73 0.00 -0.43 7.64 -1.26 -4.66 113.62 106.43 2hfd n SER 42 Ca -0.00 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.64 2hfd n SER 42 Cb 0.02 -4.67 0.00 0.00 -1.01 0.00 0.00 64.21 58.55 2hfd n SER 42 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2hfd n SER 43 N -2.39 0.00 -3.53 6.43 3.41 -1.26 -4.77 113.62 111.51 2hfd n SER 43 Ca -0.13 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.24 2hfd n SER 43 Cb 0.62 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.43 2hfd n SER 43 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2hfd s ASP 44 N -1.00 2.52 0.26 4.04 2.15 -0.48 -4.88 116.67 119.28 2hfd s ASP 44 Ca 0.00 -0.82 -0.14 0.00 0.43 0.00 0.00 52.55 52.01 2hfd s ASP 44 Cb 0.00 -0.05 -0.08 0.00 -0.30 0.00 0.00 42.92 42.49 2hfd s ASP 44 CO 0.00 -0.39 0.67 -2.16 -0.17 0.00 0.00 175.17 173.12 2hfd s PRO 45 N 2.19 3.98 0.02 4.34 0.04 -1.26 -3.66 135.00 140.66 2hfd s PRO 45 Ca 0.07 0.58 -0.02 0.00 0.04 0.00 0.00 61.00 61.66 2hfd s PRO 45 Cb -0.16 -2.61 -0.01 0.00 0.04 0.00 0.00 34.50 31.77 2hfd s PRO 45 CO -0.24 0.27 -0.04 1.17 0.04 0.00 0.00 177.00 178.20 2hfd n LYS 46 N -0.02 0.06 0.00 4.56 4.81 -1.26 -4.83 118.16 121.48 2hfd n LYS 46 Ca 0.01 0.02 0.12 0.00 -0.87 0.00 0.00 58.31 57.60 2hfd n LYS 46 Cb 0.52 -0.43 0.24 0.00 0.02 0.00 0.00 35.03 35.39 2hfd n LYS 46 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2hfd n ARG 47 N -3.17 0.80 -2.53 1.64 0.63 -1.26 -4.84 116.66 107.93 2hfd n ARG 47 Ca -0.02 -0.54 -0.43 0.00 -0.92 0.00 0.00 57.85 55.95 2hfd n ARG 47 Cb 0.06 -1.49 -0.02 0.00 0.45 0.00 0.00 32.46 31.46 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 -2.57 4.27 0.25 5.15 2.01 -1.26 -4.92 115.64 118.56 2hfd s THR 48 Ca 0.21 1.41 0.01 0.00 0.31 0.00 0.00 61.69 63.63 2hfd s THR 48 Cb 0.19 -4.34 0.01 0.00 0.01 0.00 0.00 72.50 68.37 2hfd s THR 48 CO 0.57 -0.60 1.63 -0.65 -0.69 0.00 0.00 174.62 174.88 2hfd h PRO 49 N 8.95 0.47 -1.21 4.92 0.11 -2.00 -3.42 132.00 139.82 2hfd h PRO 49 Ca -0.24 -0.23 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2hfd h PRO 49 Cb 1.08 -0.00 -0.23 0.00 0.11 0.00 0.00 31.00 31.96 2hfd h PRO 49 CO 1.06 0.79 -0.39 -2.00 -0.21 0.00 0.00 178.00 177.24 2hfd s GLU 50 N -4.24 0.52 0.20 1.05 -6.30 -1.26 -5.02 118.70 103.64 2hfd s GLU 50 Ca -0.07 0.58 0.05 0.00 -2.50 0.00 0.00 54.97 53.03 2hfd s GLU 50 Cb 0.13 0.16 0.10 0.00 0.00 0.00 0.00 34.13 34.52 2hfd s GLU 50 CO 0.81 -0.91 1.45 0.28 0.02 0.00 0.00 175.26 176.91 2hfd h VAL 51 N 6.05 1.49 0.00 3.70 2.07 -1.97 -3.02 116.25 124.57 2hfd h VAL 51 Ca -0.09 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 64.94 2hfd h VAL 51 Cb 1.17 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 33.29 2hfd h VAL 51 CO 0.21 0.72 0.00 -1.54 0.02 0.00 0.00 177.57 176.98 2hfd n SER 52 N -3.69 0.00 -4.26 0.57 3.41 -1.26 -4.64 113.62 103.74 2hfd n SER 52 Ca -0.02 -0.66 -0.35 0.00 -0.26 0.00 0.00 58.87 57.57 2hfd n SER 52 Cb 0.74 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.54 2hfd n SER 52 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2hfd n ASP 53 N -1.11 3.20 -2.62 4.04 2.03 -1.14 -4.24 116.55 116.71 2hfd n ASP 53 Ca 0.20 -2.73 -0.06 0.00 0.52 0.00 0.00 54.79 52.72 2hfd n ASP 53 Cb 0.16 -1.56 0.01 0.00 -0.72 0.00 0.00 41.12 39.01 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 11.23 -7.06 -1.21 1.67 5.15 -1.26 -4.86 115.26 118.92 2hfd n ASN 54 Ca 0.47 0.59 0.09 0.00 -0.60 0.00 0.00 54.58 55.12 2hfd n ASN 54 Cb 0.44 -4.73 0.28 0.00 -0.53 0.00 0.00 39.78 35.24 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 -0.18 2.75 0.06 1.20 -0.04 -1.26 -4.48 135.00 133.06 2hfd n PRO 55 Ca 0.08 -2.23 -0.07 0.00 -0.04 0.00 0.00 63.50 61.25 2hfd n PRO 55 Cb 0.32 -1.60 0.08 0.00 -0.04 0.00 0.00 33.50 32.26 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 3.42 1.37 -0.40 0.52 2.07 -1.94 -3.23 116.25 118.07 2hfd h VAL 56 Ca 0.00 -1.97 0.09 0.00 0.82 0.00 0.00 66.70 65.64 2hfd h VAL 56 Cb 0.99 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 2hfd h VAL 56 CO 0.08 0.59 0.28 0.00 0.02 0.00 0.00 177.57 178.54 2hfd h MET 57 N 0.26 0.11 -0.67 1.57 -0.00 -1.99 -0.91 114.93 113.30 2hfd h MET 57 Ca -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 2hfd h MET 57 Cb 1.15 -0.02 -0.03 0.00 -0.00 0.00 0.00 31.60 32.69 2hfd h MET 57 CO 0.10 0.07 0.39 0.82 -0.00 0.00 0.00 176.91 178.30 2hfd h ILE 58 N 0.11 1.20 -0.08 -0.10 1.08 -1.91 -1.44 117.51 116.37 2hfd h ILE 58 Ca 0.19 -0.46 -0.16 0.00 -0.39 0.00 0.00 64.86 64.03 2hfd h ILE 58 Cb 0.59 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 2hfd h ILE 58 CO -0.02 0.21 -0.66 1.23 -0.69 0.00 0.00 178.15 178.22 2hfd h GLY 59 N 0.91 0.36 1.83 5.37 0.00 -1.36 -2.73 103.07 107.45 2hfd h GLY 59 Ca 0.24 -0.48 -0.15 0.00 0.00 0.00 0.00 47.33 46.94 2hfd h GLY 59 CO -0.04 0.43 -0.63 0.83 0.00 0.00 0.00 176.54 177.12 2hfd h GLU 60 N 0.23 0.17 -0.06 4.80 4.39 -1.30 -2.99 114.58 119.82 2hfd h GLU 60 Ca -0.02 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 2hfd h GLU 60 Cb 1.20 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.87 2hfd h GLU 60 CO 0.11 0.75 0.02 1.25 -1.16 0.00 0.00 179.01 179.97 2hfd h LEU 61 N 0.12 0.09 -2.29 1.33 5.85 -1.13 -2.96 115.31 116.33 2hfd h LEU 61 Ca -0.01 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.52 2hfd h LEU 61 Cb 1.14 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 2hfd h LEU 61 CO 0.09 0.29 0.08 -0.07 -0.34 0.00 0.00 178.44 178.50 2hfd h LEU 62 N -0.11 0.00 -2.19 2.25 4.07 -1.43 -2.78 115.31 115.12 2hfd h LEU 62 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2hfd h LEU 62 Cb 0.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.97 2hfd h LEU 62 CO -0.00 0.00 0.18 0.03 -1.08 0.00 0.00 178.44 177.57 2hfd h ARG 63 N 0.00 0.00 -0.88 1.13 3.08 -1.37 -1.78 114.38 114.55 2hfd h ARG 63 Ca 0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 2hfd h ARG 63 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2hfd h ARG 63 CO -0.00 0.00 0.05 -0.85 -1.07 0.00 0.00 179.97 178.10 2hfd n GLU 64 N -2.82 2.19 -2.04 0.04 0.28 -1.05 -4.89 120.64 112.34 2hfd n GLU 64 Ca -0.02 -1.10 -0.42 0.00 -0.16 0.00 0.00 57.16 55.45 2hfd n GLU 64 Cb 0.23 -1.70 -0.03 0.00 1.43 0.00 0.00 31.44 31.38 2hfd n GLU 64 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 2hfd s PHE 65 N -1.53 2.29 -0.23 -1.84 -0.71 -0.67 -4.92 117.98 110.37 2hfd s PHE 65 Ca 0.19 0.38 -0.16 0.00 -1.04 0.00 0.00 56.93 56.30 2hfd s PHE 65 Cb 0.15 -3.86 -0.11 0.00 -1.21 0.00 0.00 43.02 37.99 2hfd s PHE 65 CO 0.05 -3.50 -0.25 -0.35 -1.34 0.00 0.00 175.22 169.83 2hfd n PRO 66 N 6.38 0.56 -0.01 1.99 -0.04 -1.26 -4.78 135.00 137.84 2hfd n PRO 66 Ca 0.16 0.32 -0.01 0.00 -0.04 0.00 0.00 63.50 63.93 2hfd n PRO 66 Cb 0.42 -1.53 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 2hfd n PRO 66 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2hfd n ASP 67 N -4.37 0.55 -3.85 3.54 2.03 -1.26 -4.93 116.55 108.26 2hfd n ASP 67 Ca -0.35 0.24 -0.12 0.00 0.52 0.00 0.00 54.79 55.08 2hfd n ASP 67 Cb 0.69 0.59 -0.12 0.00 -0.72 0.00 0.00 41.12 41.56 2hfd n ASP 67 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 2hfd s TYR 68 N -2.89 -0.08 0.34 -0.67 -0.85 -1.26 -5.14 117.35 106.80 2hfd s TYR 68 Ca -0.05 0.19 -0.14 0.00 -0.52 0.00 0.00 57.07 56.55 2hfd s TYR 68 Cb 0.09 0.01 -0.08 0.00 0.38 0.00 0.00 41.96 42.36 2hfd s TYR 68 CO 0.83 -0.12 0.74 -0.08 -1.52 0.00 0.00 175.55 175.40 2hfd s THR 69 N -0.31 4.72 -0.28 -3.49 -1.32 -1.26 -4.75 115.64 108.94 2hfd s THR 69 Ca -0.04 0.84 -0.13 0.00 -1.21 0.00 0.00 61.69 61.16 2hfd s THR 69 Cb -0.03 -3.64 -0.04 0.00 -1.51 0.00 0.00 72.50 67.28 2hfd s THR 69 CO 0.00 -0.27 0.26 0.26 -2.21 0.00 0.00 174.62 172.66 2hfd s TRP 70 N -2.08 3.23 -0.74 9.09 0.52 -1.26 -3.54 118.94 124.15 2hfd s TRP 70 Ca 0.53 0.21 -0.24 0.00 0.02 0.00 0.00 56.10 56.62 2hfd s TRP 70 Cb -0.10 -2.46 0.05 0.00 -1.15 0.00 0.00 33.47 29.81 2hfd s TRP 70 CO 0.21 -0.20 1.16 -1.14 0.02 0.00 0.00 176.95 177.01 2hfd s GLN 71 N 1.88 3.22 -0.48 4.98 2.00 0.79 -4.89 119.66 127.15 2hfd s GLN 71 Ca 0.10 -0.64 -0.23 0.00 -2.00 0.00 0.00 55.36 52.59 2hfd s GLN 71 Cb -0.16 -4.35 0.03 0.00 0.80 0.00 0.00 33.01 29.34 2hfd s GLN 71 CO 0.11 -2.00 0.81 0.08 -0.50 0.00 0.00 175.29 173.78 2hfd s VAL 72 N 4.84 4.60 -0.07 1.34 1.01 -1.26 -1.40 120.40 129.47 2hfd s VAL 72 Ca 0.31 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.58 2hfd s VAL 72 Cb -0.11 -4.38 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 2hfd s VAL 72 CO 0.09 -0.84 -0.09 0.00 0.00 0.00 0.00 175.10 174.26 2hfd s ALA 73 N 3.40 2.85 0.06 5.51 0.00 -0.36 -3.99 121.76 129.22 2hfd s ALA 73 Ca 0.28 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 51.42 2hfd s ALA 73 Cb -0.13 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.79 2hfd s ALA 73 CO 0.21 0.51 -0.24 0.96 0.00 0.00 0.00 175.76 177.20 2hfd s ILE 74 N -0.59 2.38 0.36 0.00 -4.36 -1.05 -1.63 121.20 116.31 2hfd s ILE 74 Ca 0.09 -1.37 0.07 0.00 -0.26 0.00 0.00 60.65 59.18 2hfd s ILE 74 Cb -0.12 -1.97 -0.07 0.00 1.25 0.00 0.00 42.46 41.55 2hfd s ILE 74 CO 0.02 0.32 -0.03 0.00 0.24 0.00 0.00 174.94 175.49 2hfd s ALA 75 N -0.88 2.87 1.02 2.27 0.00 -1.20 -1.78 121.76 124.06 2hfd s ALA 75 Ca 0.13 -2.15 -0.14 0.00 0.00 0.00 0.00 51.96 49.80 2hfd s ALA 75 Cb -0.10 0.17 0.20 0.00 0.00 0.00 0.00 23.12 23.39 2hfd s ALA 75 CO 0.04 -0.07 1.13 -0.51 0.00 0.00 0.00 175.76 176.35 2hfd s ASP 76 N -3.61 2.50 0.07 0.00 1.01 -1.26 -4.83 116.67 110.55 2hfd s ASP 76 Ca 0.34 0.88 -0.16 0.00 0.71 0.00 0.00 52.55 54.31 2hfd s ASP 76 Cb 0.06 -1.35 -0.14 0.00 1.01 0.00 0.00 42.92 42.50 2hfd s ASP 76 CO 0.16 -3.17 1.32 0.25 0.21 0.00 0.00 175.17 173.94 2hfd h LEU 77 N -1.93 0.70 -0.60 1.23 6.46 -1.86 -0.11 115.31 119.21 2hfd h LEU 77 Ca -0.50 -0.57 0.05 0.00 -0.12 0.00 0.00 57.88 56.74 2hfd h LEU 77 Cb 1.31 -0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 40.99 2hfd h LEU 77 CO 0.52 1.14 0.33 -0.33 -0.62 0.00 0.00 178.44 179.48 2hfd h GLU 78 N 0.30 0.60 -0.27 1.25 4.39 -1.97 -2.79 114.58 116.09 2hfd h GLU 78 Ca -0.00 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.52 2hfd h GLU 78 Cb 1.05 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2hfd h GLU 78 CO 0.10 0.40 -0.38 0.37 -1.16 0.00 0.00 179.01 178.33 2hfd h GLN 79 N 0.62 0.73 -0.63 2.33 4.15 -1.89 -2.18 115.11 118.24 2hfd h GLN 79 Ca 0.27 -0.43 -0.03 0.00 0.77 0.00 0.00 58.65 59.22 2hfd h GLN 79 Cb 0.15 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.85 2hfd h GLN 79 CO -0.17 1.05 0.26 0.66 -1.93 0.00 0.00 178.83 178.71 2hfd h SER 80 N 0.47 0.86 -0.31 -0.69 4.64 -0.93 0.32 113.55 117.91 2hfd h SER 80 Ca 0.03 -0.16 -0.09 0.00 -0.47 0.00 0.00 61.79 61.10 2hfd h SER 80 Cb 0.97 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 2hfd h SER 80 CO 0.09 0.79 -0.10 -0.33 -0.87 0.00 0.00 176.83 176.41 2hfd h GLU 81 N 0.88 0.73 -0.24 4.77 5.08 -1.48 -0.04 114.58 124.27 2hfd h GLU 81 Ca 0.21 -0.23 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 2hfd h GLU 81 Cb 0.19 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2hfd h GLU 81 CO -0.02 0.81 -0.32 0.00 -1.00 0.00 0.00 179.01 178.48 2hfd h ALA 82 N 1.23 0.36 -0.25 3.43 0.00 -0.79 -1.68 119.26 121.55 2hfd h ALA 82 Ca 0.12 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2hfd h ALA 82 Cb 0.55 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2hfd h ALA 82 CO 0.03 0.40 0.03 0.82 0.00 0.00 0.00 179.25 180.54 2hfd h ILE 83 N 0.35 1.24 -0.20 0.00 2.04 -0.27 -1.56 117.51 119.12 2hfd h ILE 83 Ca 0.03 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.11 2hfd h ILE 83 Cb 0.90 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 2hfd h ILE 83 CO 0.08 0.26 0.02 1.23 0.00 0.00 0.00 178.15 179.73 2hfd h GLY 84 N 0.22 0.20 0.43 5.37 0.00 -1.03 -0.44 103.07 107.83 2hfd h GLY 84 Ca 0.08 0.01 0.11 0.00 0.00 0.00 0.00 47.33 47.52 2hfd h GLY 84 CO 0.01 -0.02 0.44 -1.80 0.00 0.00 0.00 176.54 175.17 2hfd h ASP 85 N 0.09 0.60 0.54 0.19 3.58 -1.21 0.41 116.42 120.62 2hfd h ASP 85 Ca 0.09 0.06 -0.15 0.00 0.42 0.00 0.00 57.03 57.45 2hfd h ASP 85 Cb 0.10 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 2hfd h ASP 85 CO -0.14 0.32 -0.68 -0.09 -2.88 0.00 0.00 179.24 175.77 2hfd h ARG 86 N 0.71 0.13 0.00 0.28 2.43 -0.72 -3.33 114.38 113.88 2hfd h ARG 86 Ca 0.41 -0.10 -0.20 0.00 -0.81 0.00 0.00 59.98 59.28 2hfd h ARG 86 Cb 0.44 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 2hfd h ARG 86 CO -0.28 0.76 -2.13 0.34 -1.51 0.00 0.00 179.97 177.15 2hfd n PHE 87 N -3.78 0.00 0.00 2.20 7.35 -0.22 -5.00 117.46 118.01 2hfd n PHE 87 Ca -0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 2hfd n PHE 87 Cb 0.67 -0.72 0.00 0.00 0.35 0.00 0.00 39.48 39.78 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 1.64 0.84 3.44 7.13 0.00 0.11 -5.08 105.19 113.28 2hfd n GLY 88 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 2hfd n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hfd s VAL 89 N -1.62 2.56 0.73 1.61 1.01 0.41 -5.03 120.40 120.07 2hfd s VAL 89 Ca 0.00 -1.64 -0.11 0.00 0.00 0.00 0.00 61.98 60.23 2hfd s VAL 89 Cb 0.00 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 34.25 2hfd s VAL 89 CO 0.00 0.09 1.08 -0.36 0.00 0.00 0.00 175.10 175.91 2hfd s PHE 90 N -1.11 3.11 -1.06 5.22 0.08 -1.26 -4.20 117.98 118.76 2hfd s PHE 90 Ca 0.16 1.19 0.19 0.00 0.12 0.00 0.00 56.93 58.59 2hfd s PHE 90 Cb -0.10 -3.02 0.83 0.00 -0.57 0.00 0.00 43.02 40.16 2hfd s PHE 90 CO 0.08 -1.38 1.60 2.89 -0.10 0.00 0.00 175.22 178.32 2hfd n ARG 91 N -3.18 0.04 -2.22 0.44 1.85 -1.26 -4.80 116.66 107.54 2hfd n ARG 91 Ca 0.07 0.16 -0.42 0.00 -1.00 0.00 0.00 57.85 56.66 2hfd n ARG 91 Cb 0.56 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.44 2hfd n ARG 91 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2hfd s PHE 92 N -2.94 3.01 0.05 2.89 0.08 -1.24 -1.39 117.98 118.44 2hfd s PHE 92 Ca 0.10 0.89 -0.30 0.00 0.12 0.00 0.00 56.93 57.74 2hfd s PHE 92 Cb 0.12 -3.66 -0.08 0.00 -0.57 0.00 0.00 43.02 38.84 2hfd s PHE 92 CO 0.34 -2.36 1.63 -2.14 -0.10 0.00 0.00 175.22 172.59 2hfd s PRO 93 N 1.89 4.20 0.13 0.24 0.02 -1.26 -4.85 135.00 135.36 2hfd s PRO 93 Ca 0.64 2.28 -0.05 0.00 0.02 0.00 0.00 61.00 63.89 2hfd s PRO 93 Cb -0.33 -3.65 0.02 0.00 0.02 0.00 0.00 34.50 30.56 2hfd s PRO 93 CO 0.28 -0.73 0.27 0.00 -0.33 0.00 0.00 177.00 176.48 2hfd n ALA 94 N 5.79 -0.60 -3.08 -1.55 0.00 -1.26 -4.81 120.51 115.00 2hfd n ALA 94 Ca 0.16 -0.42 -0.34 0.00 0.00 0.00 0.00 53.44 52.84 2hfd n ALA 94 Cb 0.41 0.33 -0.13 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.69 3.75 -0.32 0.00 2.01 -0.71 -1.71 115.64 115.97 2hfd s THR 95 Ca 0.05 -0.40 -0.17 0.00 0.31 0.00 0.00 61.69 61.49 2hfd s THR 95 Cb -0.02 -2.66 -0.02 0.00 0.01 0.00 0.00 72.50 69.82 2hfd s THR 95 CO 0.04 0.47 0.46 -0.76 -0.69 0.00 0.00 174.62 174.14 2hfd s LEU 96 N 0.69 4.24 -0.22 4.42 1.43 0.58 -0.01 118.68 129.80 2hfd s LEU 96 Ca -0.02 0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.07 2hfd s LEU 96 Cb -0.14 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 2hfd s LEU 96 CO 0.02 -0.36 0.21 0.54 0.23 0.00 0.00 176.35 176.99 2hfd s VAL 97 N 2.25 5.34 -0.06 -1.59 0.11 -0.94 -1.33 120.40 124.18 2hfd s VAL 97 Ca 0.17 0.30 0.04 0.00 -2.93 0.00 0.00 61.98 59.56 2hfd s VAL 97 Cb -0.16 -3.54 -0.02 0.00 -1.53 0.00 0.00 36.38 31.13 2hfd s VAL 97 CO 0.12 0.35 -0.16 -0.36 -3.33 0.00 0.00 175.10 171.71 2hfd s PHE 98 N 0.94 2.66 -0.07 1.54 0.08 -0.79 -1.70 117.98 120.64 2hfd s PHE 98 Ca 0.10 -0.28 -0.12 0.00 0.12 0.00 0.00 56.93 56.75 2hfd s PHE 98 Cb -0.13 -1.64 0.02 0.00 -0.57 0.00 0.00 43.02 40.70 2hfd s PHE 98 CO 0.04 0.09 0.29 0.99 -0.10 0.00 0.00 175.22 176.53 2hfd s THR 99 N -0.55 0.03 -1.51 0.64 2.01 0.39 -3.62 115.64 113.02 2hfd s THR 99 Ca 0.08 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 61.86 2hfd s THR 99 Cb -0.11 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 71.91 2hfd s THR 99 CO 0.01 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.43 2hfd n GLY 100 N 2.25 1.46 2.70 4.40 0.00 -1.26 -1.38 105.19 113.36 2hfd n GLY 100 Ca -0.17 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.00 0.94 3.44 -0.02 0.00 -1.26 -4.05 105.19 103.24 2hfd n GLY 101 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.97 3.44 -0.14 1.61 0.01 -0.48 -5.08 114.94 111.32 2hfd s ASN 102 Ca 0.00 -0.95 -0.29 0.00 -0.71 0.00 0.00 52.86 50.91 2hfd s ASN 102 Cb 0.00 -0.27 -0.01 0.00 0.41 0.00 0.00 41.25 41.39 2hfd s ASN 102 CO 0.00 0.06 1.06 -0.47 -1.51 0.00 0.00 177.10 176.24 2hfd s TYR 103 N -2.14 3.37 -0.13 2.20 5.04 -1.26 -0.47 117.35 123.96 2hfd s TYR 103 Ca 0.25 1.47 -0.08 0.00 -2.44 0.00 0.00 57.07 56.27 2hfd s TYR 103 Cb -0.06 -3.27 -0.03 0.00 0.35 0.00 0.00 41.96 38.96 2hfd s TYR 103 CO 0.12 -0.54 -0.15 0.00 -1.34 0.00 0.00 175.55 173.63 2hfd h ARG 104 N 7.34 0.00 0.00 4.97 -0.00 -1.64 -3.48 114.38 121.56 2hfd h ARG 104 Ca -0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.21 2hfd h ARG 104 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.09 2hfd h ARG 104 CO 0.91 0.00 0.00 0.41 0.00 0.00 0.00 179.97 181.29 2hfd n GLY 105 N 1.64 1.17 3.21 0.04 0.00 -1.23 -5.06 105.19 104.96 2hfd n GLY 105 Ca -0.06 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.23 1.81 -0.46 1.61 0.11 -1.26 -2.22 120.40 117.75 2hfd s VAL 106 Ca 0.00 -0.92 -0.15 0.00 -2.93 0.00 0.00 61.98 57.98 2hfd s VAL 106 Cb 0.00 -1.54 0.07 0.00 -1.53 0.00 0.00 36.38 33.38 2hfd s VAL 106 CO 0.00 0.51 0.38 -0.76 -3.33 0.00 0.00 175.10 171.89 2hfd s LEU 107 N -0.03 5.54 -0.41 2.54 1.43 0.99 -4.96 118.68 123.77 2hfd s LEU 107 Ca -0.05 -1.29 0.02 0.00 -1.03 0.00 0.00 54.13 51.78 2hfd s LEU 107 Cb -0.13 -2.17 0.11 0.00 0.03 0.00 0.00 46.19 44.03 2hfd s LEU 107 CO 0.04 -0.62 0.15 0.54 0.23 0.00 0.00 176.35 176.69 2hfd s ASN 108 N 2.47 4.83 -0.21 2.29 4.22 -1.26 -1.74 114.94 125.53 2hfd s ASN 108 Ca 0.04 -2.34 -0.18 0.00 -2.14 0.00 0.00 52.86 48.24 2hfd s ASN 108 Cb -0.24 -1.69 0.06 0.00 1.28 0.00 0.00 41.25 40.66 2hfd s ASN 108 CO 0.07 -0.39 0.56 -0.83 -2.04 0.00 0.00 177.10 174.47 2hfd s GLY 109 N 0.87 -0.43 -0.16 0.45 0.00 -1.26 -5.05 107.32 101.74 2hfd s GLY 109 Ca 0.12 1.66 0.09 0.00 0.00 0.00 0.00 44.72 46.59 2hfd s GLY 109 CO -0.05 1.50 -0.02 1.39 0.00 0.00 0.00 173.10 175.91 2hfd n ILE 110 N 3.07 1.03 0.06 0.90 2.08 -1.26 -4.95 119.36 120.29 2hfd n ILE 110 Ca -0.15 -0.55 0.00 0.00 0.56 0.00 0.00 62.75 62.61 2hfd n ILE 110 Cb 0.56 -0.79 0.00 0.00 -0.75 0.00 0.00 39.64 38.66 2hfd n ILE 110 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 2hfd n HIS 111 N -2.71 -0.94 -1.70 1.39 8.25 -1.26 -4.85 115.22 113.40 2hfd n HIS 111 Ca -0.27 0.17 -0.55 0.00 -0.26 0.00 0.00 57.72 56.81 2hfd n HIS 111 Cb 0.94 0.42 -0.06 0.00 1.12 0.00 0.00 29.99 32.40 2hfd n HIS 111 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2hfd n PRO 112 N -3.02 1.47 -0.13 -0.41 -0.04 -1.26 -4.86 135.00 126.75 2hfd n PRO 112 Ca 0.00 0.54 -0.26 0.00 -0.04 0.00 0.00 63.50 63.74 2hfd n PRO 112 Cb 0.06 -2.27 -0.11 0.00 -0.04 0.00 0.00 33.50 31.14 2hfd n PRO 112 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 2hfd n TRP 113 N 5.73 0.10 -0.03 0.54 -0.00 -1.26 -2.60 117.44 119.92 2hfd n TRP 113 Ca 0.25 0.03 0.03 0.00 -0.00 0.00 0.00 57.50 57.82 2hfd n TRP 113 Cb 0.18 -1.01 0.39 0.00 -0.00 0.00 0.00 31.31 30.87 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 -0.63 1.66 -0.09 5.87 0.00 -1.99 0.16 119.26 124.23 2hfd h ALA 114 Ca -0.64 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 2hfd h ALA 114 Cb 1.70 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 2hfd h ALA 114 CO -0.30 0.31 -0.06 0.93 0.00 0.00 0.00 179.25 180.13 2hfd h GLU 115 N 0.62 0.20 -0.04 0.00 4.39 -1.96 -2.07 114.58 115.71 2hfd h GLU 115 Ca 0.17 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 2hfd h GLU 115 Cb -0.06 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2hfd h GLU 115 CO -0.03 0.58 0.03 1.25 -1.16 0.00 0.00 179.01 179.68 2hfd h LEU 116 N -0.18 0.06 -0.85 1.33 6.46 -1.12 -2.43 115.31 118.56 2hfd h LEU 116 Ca 0.02 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 2hfd h LEU 116 Cb 0.53 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.41 2hfd h LEU 116 CO 0.02 0.10 0.55 0.40 -0.62 0.00 0.00 178.44 178.89 2hfd h ILE 117 N 0.00 1.23 0.20 4.05 2.04 -0.79 -0.43 117.51 123.81 2hfd h ILE 117 Ca 0.02 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.45 2hfd h ILE 117 Cb 0.06 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.09 2hfd h ILE 117 CO -0.00 0.22 -0.42 -1.13 0.00 0.00 0.00 178.15 176.82 2hfd h ASN 118 N 1.16 -1.20 -0.38 1.72 -0.73 -1.08 0.15 115.58 115.22 2hfd h ASN 118 Ca 0.31 0.13 -0.12 0.00 1.87 0.00 0.00 56.30 58.49 2hfd h ASN 118 Cb -0.11 0.44 -0.01 0.00 0.27 0.00 0.00 38.32 38.91 2hfd h ASN 118 CO -0.06 -0.51 -0.22 -0.07 -0.37 0.00 0.00 177.43 176.20 2hfd h LEU 119 N -0.70 0.86 0.02 0.34 3.38 -1.33 -0.80 115.31 117.08 2hfd h LEU 119 Ca 0.01 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2hfd h LEU 119 Cb 0.70 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2hfd h LEU 119 CO -0.19 1.09 -0.03 -0.03 0.09 0.00 0.00 178.44 179.37 2hfd h MET 120 N 0.63 -0.06 -0.10 1.13 4.05 -0.85 0.74 114.93 120.47 2hfd h MET 120 Ca 0.08 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.38 2hfd h MET 120 Cb 0.78 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.58 2hfd h MET 120 CO 0.06 -0.04 -0.47 -0.09 0.23 0.00 0.00 176.91 176.60 2hfd h ARG 121 N -0.06 0.25 0.00 0.39 2.43 -0.70 -0.57 114.38 116.12 2hfd h ARG 121 Ca 0.00 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 58.99 2hfd h ARG 121 Cb 0.07 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2hfd h ARG 121 CO -0.01 0.67 -0.26 0.78 -1.51 0.00 0.00 179.97 179.64 2hfd h GLY 122 N 1.30 0.00 0.00 2.80 0.00 -0.69 0.13 103.07 106.61 2hfd h GLY 122 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 2hfd h GLY 122 CO 0.07 0.00 -0.20 1.41 0.00 0.00 0.00 176.54 177.82 2hfd h LEU 123 N 0.00 0.00 -0.64 3.11 3.38 -0.27 -3.38 115.31 117.50 2hfd h LEU 123 Ca -0.00 -0.89 -0.11 0.00 0.09 0.00 0.00 57.88 56.97 2hfd h LEU 123 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2hfd h LEU 123 CO 0.03 1.06 -0.11 -0.37 0.09 0.00 0.00 178.44 179.14 2hfd h VAL 124 N -1.00 1.27 -3.25 1.22 -1.51 -1.11 -3.35 116.25 108.51 2hfd h VAL 124 Ca -0.06 -1.25 -0.76 0.00 -1.23 0.00 0.00 66.70 63.41 2hfd h VAL 124 Cb 1.02 0.99 -0.25 0.00 -2.13 0.00 0.00 31.29 30.93 2hfd h VAL 124 CO -0.03 0.44 -0.17 -0.70 -1.23 0.00 0.00 177.57 175.88 2hfd s GLU 125 N -4.82 3.08 0.26 5.19 2.12 0.03 -5.02 118.70 119.55 2hfd s GLU 125 Ca -0.11 -1.87 -0.10 0.00 0.36 0.00 0.00 54.97 53.25 2hfd s GLU 125 Cb 0.13 -4.30 -0.07 0.00 0.26 0.00 0.00 34.13 30.15 2hfd s GLU 125 CO 0.85 -1.31 0.60 -1.25 -0.54 0.00 0.00 175.26 173.61 2hfd s PRO 126 N 1.28 3.82 0.00 4.30 0.04 -1.26 -4.55 135.00 138.64 2hfd s PRO 126 Ca 0.06 0.34 0.26 0.00 0.04 0.00 0.00 61.00 61.71 2hfd s PRO 126 Cb -0.26 -2.59 1.21 0.00 0.04 0.00 0.00 34.50 32.91 2hfd s PRO 126 CO 0.00 0.25 1.87 1.04 0.04 0.00 0.00 177.00 180.21 2hfd n GLN 127 N -0.33 0.15 -3.45 4.56 6.02 -1.26 -4.48 117.38 118.59 2hfd n GLN 127 Ca 0.01 0.04 -0.16 0.00 -0.01 0.00 0.00 57.00 56.88 2hfd n GLN 127 Cb 0.53 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.17 2hfd n GLN 127 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2hfd s GLN 128 N -2.83 0.24 -1.13 -1.09 0.74 -1.26 -5.08 119.66 109.25 2hfd s GLN 128 Ca 0.18 0.22 -0.23 0.00 0.05 0.00 0.00 55.36 55.57 2hfd s GLN 128 Cb 0.17 -0.98 -0.10 0.00 1.10 0.00 0.00 33.01 33.21 2hfd s GLN 128 CO 0.45 -0.71 1.96 -1.21 -0.55 0.00 0.00 175.29 175.23 2hfd s GLU 129 N 2.38 2.36 -1.02 1.67 8.01 -1.26 -4.87 118.70 125.97 2hfd s GLU 129 Ca 0.09 -0.95 -0.22 0.00 0.01 0.00 0.00 54.97 53.90 2hfd s GLU 129 Cb -0.15 -5.19 0.07 0.00 -4.31 0.00 0.00 34.13 24.55 2hfd s GLU 129 CO -0.16 -4.06 1.40 0.50 0.01 0.00 0.00 175.26 172.95 2hfd s ARG 130 N 6.78 3.61 -0.21 1.61 3.52 -1.26 -4.91 118.95 128.09 2hfd s ARG 130 Ca 0.70 -1.29 -0.24 0.00 -0.13 0.00 0.00 55.73 54.77 2hfd s ARG 130 Cb -0.02 -5.28 0.06 0.00 -1.56 0.00 0.00 34.95 28.15 2hfd s ARG 130 CO 0.12 -2.13 0.66 0.00 -0.81 0.00 0.00 175.30 173.14 2hfd s ALA 131 N 4.48 -1.64 0.00 6.12 0.00 -1.26 -4.76 121.76 124.70 2hfd s ALA 131 Ca 0.44 1.75 0.00 0.00 0.00 0.00 0.00 51.96 54.15 2hfd s ALA 131 Cb -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.22 2hfd s ALA 131 CO -0.09 -0.32 0.09 -1.13 0.00 0.00 0.00 175.76 174.31