#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crw s SER 2 N 0.00 -1.34 -0.79 1.61 0.01 -1.26 -5.10 113.70 106.82 2crw s SER 2 Ca 0.00 0.75 -0.15 0.00 1.31 0.00 0.00 55.95 57.86 2crw s SER 2 Cb 0.00 2.09 0.19 0.00 0.21 0.00 0.00 66.02 68.51 2crw s SER 2 CO 0.00 -0.25 0.77 -0.44 0.41 0.00 0.00 173.24 173.73 2crw s SER 3 N 2.86 6.65 0.16 2.44 0.01 -1.26 -5.03 113.70 119.54 2crw s SER 3 Ca 0.18 -2.45 -0.32 0.00 1.31 0.00 0.00 55.95 54.67 2crw s SER 3 Cb -0.14 -2.23 -0.12 0.00 0.21 0.00 0.00 66.02 63.74 2crw s SER 3 CO -0.21 -0.68 1.76 0.61 0.41 0.00 0.00 173.24 175.13 2crw n GLY 4 N 4.35 1.55 3.77 3.44 0.00 -1.26 -4.92 105.19 112.12 2crw n GLY 4 Ca 0.10 0.67 -0.40 0.00 0.00 0.00 0.00 46.02 46.39 2crw n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crw s SER 5 N 1.84 6.28 -0.19 1.61 0.01 -1.26 -5.00 113.70 116.98 2crw s SER 5 Ca 0.79 2.87 -0.32 0.00 1.31 0.00 0.00 55.95 60.60 2crw s SER 5 Cb -0.52 -2.65 0.15 0.00 0.21 0.00 0.00 66.02 63.20 2crw s SER 5 CO 0.35 -0.90 1.16 -0.94 0.41 0.00 0.00 173.24 173.33 2crw s SER 6 N -0.43 -0.19 -0.72 2.44 1.04 -1.26 -5.08 113.70 109.50 2crw s SER 6 Ca 0.55 0.12 0.03 0.00 0.48 0.00 0.00 55.95 57.13 2crw s SER 6 Cb -0.43 0.18 0.32 0.00 0.10 0.00 0.00 66.02 66.19 2crw s SER 6 CO 0.57 -0.24 1.16 0.61 0.98 0.00 0.00 173.24 176.31 2crw n GLY 7 N 0.27 5.61 0.52 7.32 0.00 -1.26 -4.85 105.19 112.80 2crw n GLY 7 Ca -0.03 -2.73 0.34 0.00 0.00 0.00 0.00 46.02 43.59 2crw n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crw h MET 8 N 3.57 0.01 0.00 1.61 3.00 -2.01 -3.46 114.93 117.64 2crw h MET 8 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.94 2crw h MET 8 Cb 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.08 2crw h MET 8 CO 0.94 0.00 0.00 0.41 0.00 0.00 0.00 176.91 178.26 2crw n GLY 9 N -1.75 3.08 3.69 -3.00 0.00 -1.26 -4.90 105.19 101.05 2crw n GLY 9 Ca 0.24 -1.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 2crw n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2crw s ASP 10 N 0.00 4.97 0.29 1.61 1.01 -1.26 -4.90 116.67 118.38 2crw s ASP 10 Ca 0.00 -0.27 -0.29 0.00 0.71 0.00 0.00 52.55 52.70 2crw s ASP 10 Cb 0.00 -1.14 -0.10 0.00 1.01 0.00 0.00 42.92 42.69 2crw s ASP 10 CO 0.00 0.13 1.24 -2.16 0.21 0.00 0.00 175.17 174.59 2crw s PRO 11 N -2.68 4.45 0.73 8.23 0.04 -1.26 -5.04 135.00 139.48 2crw s PRO 11 Ca 0.27 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.31 2crw s PRO 11 Cb -0.10 -3.13 0.10 0.00 0.04 0.00 0.00 34.50 31.41 2crw s PRO 11 CO 0.19 -0.07 1.03 0.45 0.04 0.00 0.00 177.00 178.63 2crw s SER 12 N -0.45 4.44 0.30 6.66 0.15 -1.26 -4.73 113.70 118.82 2crw s SER 12 Ca 0.49 0.09 0.06 0.00 0.70 0.00 0.00 55.95 57.29 2crw s SER 12 Cb -0.37 -0.58 0.78 0.00 -1.71 0.00 0.00 66.02 64.14 2crw s SER 12 CO 0.46 -1.81 1.75 0.50 1.20 0.00 0.00 173.24 175.34 2crw h LYS 13 N -0.66 0.62 -0.62 5.44 3.64 -1.97 0.22 116.57 123.25 2crw h LYS 13 Ca -0.41 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 58.84 2crw h LYS 13 Cb 1.28 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 2crw h LYS 13 CO 0.49 0.41 0.05 1.96 -2.27 0.00 0.00 179.45 180.09 2crw h GLN 14 N 0.64 1.04 -0.31 1.90 4.20 -1.96 -1.95 115.11 118.66 2crw h GLN 14 Ca 0.59 -0.30 -0.10 0.00 0.06 0.00 0.00 58.65 58.90 2crw h GLN 14 Cb 1.02 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 2crw h GLN 14 CO -0.44 0.99 -0.20 -0.44 -0.67 0.00 0.00 178.83 178.08 2crw h ASP 15 N 0.97 0.71 -0.39 1.46 5.19 -1.04 -2.84 116.42 120.48 2crw h ASP 15 Ca 0.18 -0.43 -0.02 0.00 -0.62 0.00 0.00 57.03 56.14 2crw h ASP 15 Cb 0.49 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.78 2crw h ASP 15 CO 0.02 0.99 0.17 0.40 -3.12 0.00 0.00 179.24 177.70 2crw h ILE 16 N 0.44 1.17 -0.06 0.35 2.04 -0.69 -1.92 117.51 118.83 2crw h ILE 16 Ca 0.06 -0.54 -0.09 0.00 1.00 0.00 0.00 64.86 65.30 2crw h ILE 16 Cb 0.74 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 2crw h ILE 16 CO 0.05 0.21 -0.37 -0.07 0.00 0.00 0.00 178.15 177.98 2crw h LEU 17 N 0.63 0.13 -0.67 1.44 3.38 -1.25 -2.30 115.31 116.67 2crw h LEU 17 Ca 0.15 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 2crw h LEU 17 Cb 0.14 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2crw h LEU 17 CO -0.01 0.49 -0.25 0.74 0.09 0.00 0.00 178.44 179.50 2crw h THR 18 N 0.11 1.27 0.00 0.22 2.02 -1.11 0.32 112.91 115.74 2crw h THR 18 Ca 0.01 -1.37 -0.10 0.00 0.77 0.00 0.00 66.41 65.73 2crw h THR 18 Cb 0.71 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 2crw h THR 18 CO 0.05 0.46 -0.45 0.40 0.37 0.00 0.00 175.52 176.35 2crw h ILE 19 N 0.66 0.90 0.06 3.11 5.03 -1.28 -3.23 117.51 122.75 2crw h ILE 19 Ca 0.09 -1.89 -0.30 0.00 -0.12 0.00 0.00 64.86 62.64 2crw h ILE 19 Cb 0.77 2.17 -0.03 0.00 -3.03 0.00 0.00 36.82 36.70 2crw h ILE 19 CO 0.06 0.44 -1.64 -0.26 -0.68 0.00 0.00 178.15 176.08 2crw h PHE 20 N 0.00 0.21 -0.88 1.37 0.04 -1.18 -3.32 116.94 113.18 2crw h PHE 20 Ca -0.00 -0.15 0.17 0.00 2.80 0.00 0.00 57.97 60.78 2crw h PHE 20 Cb 1.13 -0.01 -0.07 0.00 2.20 0.00 0.00 35.95 39.21 2crw h PHE 20 CO 0.00 1.25 0.57 1.57 -0.60 0.00 0.00 178.31 181.10 2crw h LYS 21 N 0.03 0.51 0.00 1.51 2.10 -0.38 0.33 116.57 120.67 2crw h LYS 21 Ca -0.27 -0.03 -0.09 0.00 -2.00 0.00 0.00 60.65 58.26 2crw h LYS 21 Cb 1.99 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 33.20 2crw h LYS 21 CO 0.11 0.34 -0.41 -0.09 -2.00 0.00 0.00 179.45 177.40 2crw h ARG 22 N 0.52 0.00 0.04 0.07 9.65 -1.69 -3.15 114.38 119.82 2crw h ARG 22 Ca 0.45 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.33 2crw h ARG 22 Cb 0.95 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.53 2crw h ARG 22 CO -0.19 0.41 -0.02 -0.07 2.80 0.00 0.00 179.97 182.90 2crw h LEU 23 N 0.00 -0.04 -0.97 3.80 -0.00 -0.55 -3.35 115.31 114.19 2crw h LEU 23 Ca -0.00 0.00 0.31 0.00 -0.00 0.00 0.00 57.88 58.19 2crw h LEU 23 Cb 1.22 0.01 -0.15 0.00 -0.00 0.00 0.00 40.66 41.74 2crw h LEU 23 CO 0.05 0.24 0.47 0.03 -0.00 0.00 0.00 178.44 179.24 2crw h ARG 24 N -0.59 0.25 -0.98 1.13 3.08 -1.09 -0.05 114.38 116.14 2crw h ARG 24 Ca -0.00 -0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.20 2crw h ARG 24 Cb 0.04 -0.06 -0.17 0.00 0.08 0.00 0.00 29.97 29.86 2crw h ARG 24 CO 0.01 0.17 -0.33 1.03 -1.07 0.00 0.00 179.97 179.78 2crw h SER 25 N 0.26 -1.22 -3.03 7.04 0.87 -1.67 -3.27 113.55 112.52 2crw h SER 25 Ca 0.70 0.30 -0.57 0.00 -1.23 0.00 0.00 61.79 60.99 2crw h SER 25 Cb 1.57 0.69 0.09 0.00 -0.44 0.00 0.00 62.40 64.32 2crw h SER 25 CO -0.64 -0.30 0.64 0.52 -0.53 0.00 0.00 176.83 176.52 2crw n VAL 26 N -5.53 1.31 0.49 2.23 0.31 -0.03 -4.86 118.33 112.25 2crw n VAL 26 Ca 0.12 -0.33 0.07 0.00 -0.01 0.00 0.00 64.34 64.19 2crw n VAL 26 Cb 0.44 -1.62 0.31 0.00 -0.91 0.00 0.00 33.84 32.05 2crw n VAL 26 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2crw n PRO 27 N 1.57 0.00 -0.00 5.55 -0.04 -1.26 -1.81 135.00 139.00 2crw n PRO 27 Ca 0.09 0.26 0.09 0.00 -0.04 0.00 0.00 63.50 63.90 2crw n PRO 27 Cb 0.34 -1.51 -0.12 0.00 -0.04 0.00 0.00 33.50 32.17 2crw n PRO 27 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2crw n THR 28 N -1.51 0.00 -0.10 0.52 -2.24 -1.26 -4.40 114.28 105.28 2crw n THR 28 Ca 0.03 -0.13 -0.12 0.00 -2.27 0.00 0.00 64.05 61.56 2crw n THR 28 Cb 0.17 0.78 -0.15 0.00 -2.10 0.00 0.00 70.33 69.03 2crw n THR 28 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2crw n ASN 29 N -1.63 0.43 0.00 3.42 3.02 -0.88 -4.20 115.26 115.43 2crw n ASN 29 Ca 0.02 -0.02 0.05 0.00 -0.03 0.00 0.00 54.58 54.60 2crw n ASN 29 Cb 0.35 0.68 0.30 0.00 -0.61 0.00 0.00 39.78 40.51 2crw n ASN 29 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2crw n LYS 30 N -2.86 0.71 -4.05 3.52 2.85 -0.75 -4.62 118.16 112.96 2crw n LYS 30 Ca -0.35 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 56.71 2crw n LYS 30 Cb 1.12 -1.22 -0.16 0.00 -0.65 0.00 0.00 35.03 34.11 2crw n LYS 30 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2crw s VAL 31 N -2.00 0.42 -0.66 0.58 -7.23 -1.26 -0.74 120.40 109.51 2crw s VAL 31 Ca 0.15 -0.04 -0.36 0.00 -1.81 0.00 0.00 61.98 59.92 2crw s VAL 31 Cb 0.07 -0.48 -0.18 0.00 0.56 0.00 0.00 36.38 36.35 2crw s VAL 31 CO 0.12 0.21 2.38 0.00 -0.31 0.00 0.00 175.10 177.50 2crw h PHE 33 N 11.52 0.00 0.00 0.00 3.04 -1.38 1.49 116.94 131.61 2crw h PHE 33 Ca -0.12 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.83 2crw h PHE 33 Cb 1.35 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.86 2crw h PHE 33 CO 1.02 0.00 0.00 -3.47 -2.02 0.00 0.00 178.31 173.84 2crw n ASP 34 N -3.39 0.00 -0.10 0.41 -0.08 -1.26 -4.67 116.55 107.45 2crw n ASP 34 Ca 0.13 0.64 -0.23 0.00 -1.51 0.00 0.00 54.79 53.81 2crw n ASP 34 Cb 0.99 -0.44 -0.12 0.00 2.34 0.00 0.00 41.12 43.89 2crw n ASP 34 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2crw n GLY 36 N 1.76 1.20 3.67 0.00 0.00 0.50 -4.94 105.19 107.39 2crw n GLY 36 Ca -0.44 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.12 2crw n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crw n ALA 37 N 0.00 1.17 -1.77 4.61 0.00 -1.26 -4.02 120.51 119.24 2crw n ALA 37 Ca 0.00 0.39 -0.37 0.00 0.00 0.00 0.00 53.44 53.46 2crw n ALA 37 Cb 0.00 -2.40 -0.00 0.00 0.00 0.00 0.00 19.45 17.05 2crw n ALA 37 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2crw s LYS 38 N 1.94 3.74 -0.99 0.00 1.02 -1.26 -0.37 119.74 123.82 2crw s LYS 38 Ca 0.83 1.86 -0.01 0.00 0.02 0.00 0.00 55.97 58.67 2crw s LYS 38 Cb -0.69 -2.45 -0.02 0.00 -0.52 0.00 0.00 37.83 34.16 2crw s LYS 38 CO 0.42 -0.59 0.83 -1.71 -0.92 0.00 0.00 175.35 173.39 2crw n ASN 39 N -0.43 -3.07 -4.58 2.83 4.05 0.08 -4.86 115.26 109.27 2crw n ASN 39 Ca 0.07 -0.55 -0.28 0.00 0.45 0.00 0.00 54.58 54.27 2crw n ASN 39 Cb 0.47 -4.45 -0.06 0.00 1.23 0.00 0.00 39.78 36.97 2crw n ASN 39 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2crw s PRO 40 N -4.90 2.51 0.05 1.20 0.04 -1.24 -4.83 135.00 127.83 2crw s PRO 40 Ca 0.10 -1.19 -0.10 0.00 0.04 0.00 0.00 61.00 59.86 2crw s PRO 40 Cb -0.01 -5.25 -0.02 0.00 0.04 0.00 0.00 34.50 29.25 2crw s PRO 40 CO 0.62 -3.97 1.17 0.66 0.04 0.00 0.00 177.00 175.52 2crw h SER 41 N 9.68 -0.68 -3.34 6.66 4.64 -1.90 -3.39 113.55 125.22 2crw h SER 41 Ca 0.22 0.10 -0.57 0.00 -0.47 0.00 0.00 61.79 61.07 2crw h SER 41 Cb 0.94 0.30 0.17 0.00 -0.31 0.00 0.00 62.40 63.50 2crw h SER 41 CO 1.23 -0.08 -0.15 0.79 -0.87 0.00 0.00 176.83 177.75 2crw n TRP 42 N -3.70 -0.02 -3.66 4.77 7.02 -1.16 -3.73 117.44 116.95 2crw n TRP 42 Ca 0.01 0.41 -0.07 0.00 -1.02 0.00 0.00 57.50 56.83 2crw n TRP 42 Cb 0.08 -2.02 -0.08 0.00 -2.42 0.00 0.00 31.31 26.87 2crw n TRP 42 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2crw s ALA 43 N -1.71 -1.59 -0.34 6.99 0.00 -0.96 -1.64 121.76 122.51 2crw s ALA 43 Ca 0.71 2.04 -0.24 0.00 0.00 0.00 0.00 51.96 54.48 2crw s ALA 43 Cb -0.40 -1.35 0.01 0.00 0.00 0.00 0.00 23.12 21.38 2crw s ALA 43 CO 0.52 -0.51 0.80 0.45 0.00 0.00 0.00 175.76 177.01 2crw s SER 44 N 1.97 6.61 0.09 0.00 0.15 0.43 -2.10 113.70 120.84 2crw s SER 44 Ca -0.08 0.49 -0.16 0.00 0.70 0.00 0.00 55.95 56.90 2crw s SER 44 Cb -0.08 -2.41 -0.10 0.00 -1.71 0.00 0.00 66.02 61.72 2crw s SER 44 CO -0.17 -0.70 1.41 0.40 1.20 0.00 0.00 173.24 175.37 2crw h ILE 45 N 5.70 1.31 -0.57 6.45 2.04 -1.72 0.37 117.51 131.10 2crw h ILE 45 Ca -0.24 -1.40 0.10 0.00 1.00 0.00 0.00 64.86 64.31 2crw h ILE 45 Cb 1.09 1.64 -0.11 0.00 -0.74 0.00 0.00 36.82 38.70 2crw h ILE 45 CO 0.91 0.44 -0.33 0.74 0.00 0.00 0.00 178.15 179.91 2crw h THR 46 N 0.33 0.18 -0.27 -0.27 2.02 -1.92 0.81 112.91 113.79 2crw h THR 46 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 2crw h THR 46 Cb 0.80 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2crw h THR 46 CO 0.06 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.73 2crw n TYR 47 N -5.43 0.34 -4.11 3.16 4.02 -1.23 -4.48 117.16 109.43 2crw n TYR 47 Ca 0.04 -0.17 -0.32 0.00 -0.01 0.00 0.00 57.90 57.45 2crw n TYR 47 Cb 0.35 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.65 2crw n TYR 47 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2crw n GLY 48 N 1.38 -0.35 3.57 2.72 0.00 0.11 -4.50 105.19 108.12 2crw n GLY 48 Ca 0.18 0.14 -0.26 0.00 0.00 0.00 0.00 46.02 46.08 2crw n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2crw s VAL 49 N -3.59 1.84 -0.11 1.61 -7.23 -0.09 -1.48 120.40 111.34 2crw s VAL 49 Ca 0.42 -2.03 -0.03 0.00 -1.81 0.00 0.00 61.98 58.53 2crw s VAL 49 Cb -0.23 -2.90 -0.03 0.00 0.56 0.00 0.00 36.38 33.78 2crw s VAL 49 CO 0.91 -0.03 0.01 -0.36 -0.31 0.00 0.00 175.10 175.32 2crw s PHE 50 N -2.84 3.17 0.28 2.82 0.08 -1.26 -0.43 117.98 119.80 2crw s PHE 50 Ca 0.35 0.10 0.02 0.00 0.12 0.00 0.00 56.93 57.52 2crw s PHE 50 Cb 0.09 -1.87 -0.05 0.00 -0.57 0.00 0.00 43.02 40.62 2crw s PHE 50 CO 0.17 0.34 0.11 -0.51 -0.10 0.00 0.00 175.22 175.23 2crw s LEU 51 N -0.47 1.69 0.10 -0.37 1.43 -0.65 -1.13 118.68 119.28 2crw s LEU 51 Ca 0.09 -1.45 0.09 0.00 -1.03 0.00 0.00 54.13 51.82 2crw s LEU 51 Cb -0.12 0.04 -0.04 0.00 0.03 0.00 0.00 46.19 46.11 2crw s LEU 51 CO 0.02 -0.78 -0.17 0.00 0.23 0.00 0.00 176.35 175.65 2crw n ILE 53 N 0.91 -0.23 0.06 0.00 0.13 -1.26 0.68 119.36 119.65 2crw n ILE 53 Ca -0.16 1.22 -0.03 0.00 -1.10 0.00 0.00 62.75 62.68 2crw n ILE 53 Cb 0.53 -1.79 -0.01 0.00 -0.84 0.00 0.00 39.64 37.53 2crw n ILE 53 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 2crw h ASP 54 N 0.00 -0.16 0.70 9.51 3.32 -2.01 -2.86 116.42 124.92 2crw h ASP 54 Ca 0.34 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.37 2crw h ASP 54 Cb 0.72 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 2crw h ASP 54 CO -0.52 -0.10 -0.40 0.00 -1.72 0.00 0.00 179.24 176.50 2crw n SER 56 N -5.55 0.15 -0.07 0.00 3.41 0.21 0.18 113.62 111.96 2crw n SER 56 Ca -0.14 0.95 -0.08 0.00 -0.26 0.00 0.00 58.87 59.35 2crw n SER 56 Cb 0.43 -0.47 -0.01 0.00 -0.26 0.00 0.00 64.21 63.90 2crw n SER 56 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2crw h GLY 57 N 0.00 0.31 0.11 5.00 0.00 -1.20 -2.06 103.07 105.24 2crw h GLY 57 Ca 0.60 -0.03 0.10 0.00 0.00 0.00 0.00 47.33 47.99 2crw h GLY 57 CO -0.33 0.01 -0.02 1.76 0.00 0.00 0.00 176.54 177.95 2crw h SER 58 N 0.18 -0.27 -0.54 0.19 0.02 0.17 -0.98 113.55 112.32 2crw h SER 58 Ca 0.12 0.13 0.02 0.00 -0.84 0.00 0.00 61.79 61.22 2crw h SER 58 Cb 0.11 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 2crw h SER 58 CO -0.14 -0.10 0.34 0.45 -1.14 0.00 0.00 176.83 176.24 2crw h HIS 59 N 0.09 0.64 -0.85 3.45 3.86 -1.49 -1.98 115.15 118.87 2crw h HIS 59 Ca 0.26 0.02 0.12 0.00 -1.16 0.00 0.00 60.37 59.60 2crw h HIS 59 Cb 0.40 -0.21 -0.06 0.00 1.06 0.00 0.00 27.41 28.60 2crw h HIS 59 CO -0.34 0.38 0.55 0.00 0.86 0.00 0.00 177.93 179.37 2crw h ARG 60 N 0.68 0.72 0.04 2.45 3.08 -0.50 -2.11 114.38 118.74 2crw h ARG 60 Ca 0.21 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 2crw h ARG 60 Cb -0.01 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.88 2crw h ARG 60 CO -0.08 0.47 -0.02 1.03 -1.07 0.00 0.00 179.97 180.30 2crw h SER 61 N 0.74 -0.05 -0.28 7.04 0.87 -0.58 -3.25 113.55 118.05 2crw h SER 61 Ca 0.41 -0.14 0.03 0.00 -1.23 0.00 0.00 61.79 60.86 2crw h SER 61 Cb 0.55 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.47 2crw h SER 61 CO -0.17 0.11 -0.33 -0.07 -0.53 0.00 0.00 176.83 175.85 2crw h LEU 62 N -0.21 -1.10 0.00 2.23 3.38 -1.13 -3.47 115.31 115.01 2crw h LEU 62 Ca -0.01 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2crw h LEU 62 Cb 0.19 0.46 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2crw h LEU 62 CO 0.01 -0.22 0.00 0.61 0.09 0.00 0.00 178.44 178.93 2crw n GLY 63 N -1.21 3.68 0.60 0.83 0.00 -1.16 -4.88 105.19 103.05 2crw n GLY 63 Ca -0.02 -0.29 0.39 0.00 0.00 0.00 0.00 46.02 46.10 2crw n GLY 63 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2crw h VAL 64 N 0.00 0.07 -0.10 1.61 -1.51 -1.80 0.80 116.25 115.33 2crw h VAL 64 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.44 2crw h VAL 64 Cb 0.00 0.10 -0.00 0.00 -2.13 0.00 0.00 31.29 29.26 2crw h VAL 64 CO 0.00 0.00 -0.05 1.12 -1.23 0.00 0.00 177.57 177.41 2crw h HIS 65 N 0.00 0.24 -0.27 5.19 -0.00 -1.96 -3.12 115.15 115.22 2crw h HIS 65 Ca 0.66 -0.06 -0.12 0.00 -0.00 0.00 0.00 60.37 60.85 2crw h HIS 65 Cb 3.06 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 30.42 2crw h HIS 65 CO 0.00 0.57 -0.30 1.25 -0.00 0.00 0.00 177.93 179.45 2crw h LEU 66 N -0.16 0.73 -6.84 6.12 6.46 0.23 -3.44 115.31 118.41 2crw h LEU 66 Ca 0.02 -0.48 -0.01 0.00 -0.12 0.00 0.00 57.88 57.28 2crw h LEU 66 Cb 0.51 -0.21 -0.24 0.00 -0.73 0.00 0.00 40.66 39.99 2crw h LEU 66 CO 0.01 1.07 -0.28 -0.44 -0.62 0.00 0.00 178.44 178.18 2crw s SER 67 N -6.55 -0.68 0.02 1.25 0.01 -0.43 -4.92 113.70 102.41 2crw s SER 67 Ca -0.12 1.10 -0.17 0.00 1.31 0.00 0.00 55.95 58.07 2crw s SER 67 Cb 0.08 1.78 -0.06 0.00 0.21 0.00 0.00 66.02 68.04 2crw s SER 67 CO 0.83 -0.24 0.48 0.12 0.41 0.00 0.00 173.24 174.84 2crw s PHE 68 N 2.74 3.75 0.19 2.43 2.19 -1.18 -4.03 117.98 124.07 2crw s PHE 68 Ca 0.02 1.11 0.09 0.00 0.33 0.00 0.00 56.93 58.48 2crw s PHE 68 Cb -0.13 -2.40 -0.04 0.00 -1.31 0.00 0.00 43.02 39.14 2crw s PHE 68 CO -0.17 0.59 -0.09 0.42 1.83 0.00 0.00 175.22 177.80 2crw s ILE 69 N -0.97 3.20 -0.29 3.12 -1.09 -1.26 -2.23 121.20 121.67 2crw s ILE 69 Ca 0.26 -1.69 -0.17 0.00 -2.23 0.00 0.00 60.65 56.82 2crw s ILE 69 Cb -0.18 -2.60 0.13 0.00 -1.58 0.00 0.00 42.46 38.24 2crw s ILE 69 CO 0.16 -0.14 0.94 -0.13 -1.23 0.00 0.00 174.94 174.54 2crw s ARG 70 N -2.91 0.44 0.58 2.79 0.52 -0.89 -4.93 118.95 114.54 2crw s ARG 70 Ca 0.25 0.73 -0.14 0.00 -0.52 0.00 0.00 55.73 56.05 2crw s ARG 70 Cb -0.08 0.10 -0.05 0.00 0.52 0.00 0.00 34.95 35.44 2crw s ARG 70 CO 0.16 -0.09 1.02 -1.12 0.02 0.00 0.00 175.30 175.29 2crw s SER 71 N 1.27 6.19 -0.24 0.23 0.01 -1.26 -2.26 113.70 117.64 2crw s SER 71 Ca -0.08 1.59 0.01 0.00 1.31 0.00 0.00 55.95 58.78 2crw s SER 71 Cb -0.04 -2.50 -0.19 0.00 0.21 0.00 0.00 66.02 63.50 2crw s SER 71 CO -0.15 -0.89 -0.13 0.35 0.41 0.00 0.00 173.24 172.83 2crw n THR 72 N -2.16 1.54 -0.07 1.44 -2.24 -1.24 -3.51 114.28 108.02 2crw n THR 72 Ca 0.07 -0.59 -0.12 0.00 -2.27 0.00 0.00 64.05 61.15 2crw n THR 72 Cb 0.54 -1.46 -0.09 0.00 -2.10 0.00 0.00 70.33 67.21 2crw n THR 72 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2crw h GLU 73 N 0.01 0.00 0.26 -0.78 5.08 -1.95 -3.41 114.58 113.79 2crw h GLU 73 Ca -0.55 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.79 2crw h GLU 73 Cb 1.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.18 2crw h GLU 73 CO -0.06 0.73 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.48 2crw h LEU 74 N -1.00 -0.29 -8.66 1.33 3.38 -1.98 -3.42 115.31 104.67 2crw h LEU 74 Ca -0.06 -0.16 -0.58 0.00 0.09 0.00 0.00 57.88 57.17 2crw h LEU 74 Cb 0.80 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.54 2crw h LEU 74 CO -0.03 0.21 0.78 -1.81 0.09 0.00 0.00 178.44 177.68 2crw s ASP 75 N -5.24 6.53 -0.27 -0.43 1.01 -1.23 -4.88 116.67 112.16 2crw s ASP 75 Ca -0.10 0.21 0.08 0.00 0.71 0.00 0.00 52.55 53.46 2crw s ASP 75 Cb 0.01 -2.51 0.45 0.00 1.01 0.00 0.00 42.92 41.88 2crw s ASP 75 CO 0.33 -1.22 1.24 -1.20 0.21 0.00 0.00 175.17 174.53 2crw n SER 76 N 7.68 3.57 -1.36 0.27 7.64 -1.26 -3.98 113.62 126.18 2crw n SER 76 Ca 0.08 -3.82 -0.10 0.00 1.01 0.00 0.00 58.87 56.05 2crw n SER 76 Cb 0.49 -0.45 0.13 0.00 -1.01 0.00 0.00 64.21 63.37 2crw n SER 76 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2crw n ASN 77 N -0.90 3.41 -4.74 6.43 3.02 -1.26 -4.44 115.26 116.78 2crw n ASN 77 Ca 0.34 -3.82 -0.31 0.00 -0.03 0.00 0.00 54.58 50.76 2crw n ASN 77 Cb 0.85 -0.52 0.12 0.00 -0.61 0.00 0.00 39.78 39.62 2crw n ASN 77 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2crw s TRP 78 N -3.41 2.41 0.12 3.10 0.52 -1.26 -5.05 118.94 115.36 2crw s TRP 78 Ca 0.46 1.46 0.06 0.00 0.02 0.00 0.00 56.10 58.09 2crw s TRP 78 Cb 0.40 -3.11 -0.04 0.00 -1.15 0.00 0.00 33.47 29.58 2crw s TRP 78 CO -0.01 -2.11 0.01 0.45 0.02 0.00 0.00 176.95 175.31 2crw s SER 79 N -3.35 4.96 0.32 2.95 0.15 -1.26 -4.37 113.70 113.11 2crw s SER 79 Ca 0.62 -0.25 0.11 0.00 0.70 0.00 0.00 55.95 57.13 2crw s SER 79 Cb -0.18 -1.15 0.96 0.00 -1.71 0.00 0.00 66.02 63.95 2crw s SER 79 CO 0.57 0.14 1.68 -0.50 1.20 0.00 0.00 173.24 176.33 2crw h TRP 80 N 3.12 0.87 0.40 3.44 4.06 -1.92 0.23 115.95 126.15 2crw h TRP 80 Ca -0.48 0.04 -0.02 0.00 2.06 0.00 0.00 58.89 60.49 2crw h TRP 80 Cb 1.18 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 29.12 2crw h TRP 80 CO 0.61 -0.10 -0.19 0.35 -3.56 0.00 0.00 178.44 175.54 2crw h PHE 81 N 0.39 -0.50 0.00 0.49 3.57 -1.94 -2.74 116.94 116.21 2crw h PHE 81 Ca 0.68 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.16 2crw h PHE 81 Cb 1.44 0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.34 2crw h PHE 81 CO -0.05 -0.25 0.18 1.04 -2.23 0.00 0.00 178.31 177.00 2crw n GLN 82 N -5.14 0.11 -0.06 1.11 6.02 -0.69 -1.79 117.38 116.95 2crw n GLN 82 Ca -0.08 0.60 -0.04 0.00 -0.01 0.00 0.00 57.00 57.47 2crw n GLN 82 Cb 0.25 -2.05 -0.04 0.00 1.02 0.00 0.00 30.24 29.42 2crw n GLN 82 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2crw h LEU 83 N 0.00 0.00 -2.53 1.08 3.38 -0.49 -3.34 115.31 113.41 2crw h LEU 83 Ca 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2crw h LEU 83 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2crw h LEU 83 CO 0.00 0.68 0.01 0.03 0.09 0.00 0.00 178.44 179.24 2crw h ARG 84 N -1.00 0.00 -0.20 1.13 2.47 -1.06 -1.30 114.38 114.41 2crw h ARG 84 Ca -0.01 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.72 2crw h ARG 84 Cb 0.33 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 2crw h ARG 84 CO -0.01 0.00 0.14 0.00 0.56 0.00 0.00 179.97 180.66 2crw h MET 86 N 0.21 0.49 0.12 0.00 2.86 -1.37 -2.97 114.93 114.28 2crw h MET 86 Ca 0.08 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 2crw h MET 86 Cb 0.06 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2crw h MET 86 CO -0.02 0.85 -0.06 1.96 1.06 0.00 0.00 176.91 180.71 2crw h GLN 87 N 0.40 -0.16 -0.60 1.72 4.20 -1.35 -3.08 115.11 116.23 2crw h GLN 87 Ca 0.03 0.01 0.17 0.00 0.06 0.00 0.00 58.65 58.92 2crw h GLN 87 Cb 0.96 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 2crw h GLN 87 CO 0.08 -0.11 0.95 -0.39 -0.67 0.00 0.00 178.83 178.70 2crw h VAL 88 N -0.63 0.07 0.00 -0.54 -1.51 -1.32 -3.35 116.25 108.96 2crw h VAL 88 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 2crw h VAL 88 Cb 0.13 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 29.47 2crw h VAL 88 CO 0.03 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.98 2crw n GLY 89 N -1.58 0.29 0.00 5.19 0.00 -1.12 -4.98 105.19 102.98 2crw n GLY 89 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2crw n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2crw n GLY 90 N 5.00 2.63 0.23 -0.02 0.00 -0.55 -4.55 105.19 107.93 2crw n GLY 90 Ca 0.00 -2.02 -0.12 0.00 0.00 0.00 0.00 46.02 43.87 2crw n GLY 90 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2crw h ASN 91 N 0.00 -0.42 -0.18 1.61 4.21 -1.77 -3.28 115.58 115.75 2crw h ASN 91 Ca 0.00 -0.15 0.05 0.00 1.21 0.00 0.00 56.30 57.41 2crw h ASN 91 Cb 0.00 0.11 -0.05 0.00 -1.12 0.00 0.00 38.32 37.26 2crw h ASN 91 CO 0.00 -0.01 -0.12 0.00 -1.29 0.00 0.00 177.43 176.01 2crw h ALA 92 N -0.52 0.02 -0.74 -0.83 0.00 -1.91 -1.77 119.26 113.52 2crw h ALA 92 Ca -0.05 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.05 2crw h ALA 92 Cb 0.54 0.27 -0.12 0.00 0.00 0.00 0.00 17.79 18.48 2crw h ALA 92 CO 0.08 -0.55 -0.28 0.43 0.00 0.00 0.00 179.25 178.93 2crw n SER 93 N -5.27 -0.47 0.08 0.00 7.64 -1.24 -0.58 113.62 113.78 2crw n SER 93 Ca -0.02 1.28 -0.11 0.00 1.01 0.00 0.00 58.87 61.03 2crw n SER 93 Cb 0.19 -0.30 -0.08 0.00 -1.01 0.00 0.00 64.21 63.02 2crw n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2crw h ALA 94 N 1.04 -0.27 -1.01 -0.43 0.00 -1.53 0.88 119.26 117.94 2crw h ALA 94 Ca 0.26 -0.21 0.36 0.00 0.00 0.00 0.00 54.91 55.32 2crw h ALA 94 Cb 0.44 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.22 2crw h ALA 94 CO -0.73 -0.37 0.63 0.45 0.00 0.00 0.00 179.25 179.22 2crw n SER 95 N -4.98 0.19 -0.11 0.00 2.88 0.26 -0.57 113.62 111.28 2crw n SER 95 Ca -0.08 1.13 -0.22 0.00 -1.33 0.00 0.00 58.87 58.36 2crw n SER 95 Cb 0.26 -0.55 -0.09 0.00 -0.75 0.00 0.00 64.21 63.08 2crw n SER 95 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2crw n SER 96 N -4.37 1.90 -0.38 -3.46 7.64 -0.46 -4.23 113.62 110.26 2crw n SER 96 Ca 0.31 0.40 -0.04 0.00 1.01 0.00 0.00 58.87 60.55 2crw n SER 96 Cb 1.17 -0.88 -0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2crw n SER 96 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2crw n PHE 97 N -4.38 -0.11 -0.04 1.43 -0.00 0.30 -0.28 117.46 114.37 2crw n PHE 97 Ca -0.37 1.18 -0.15 0.00 -0.00 0.00 0.00 57.45 58.11 2crw n PHE 97 Cb 0.71 -0.77 -0.10 0.00 -0.00 0.00 0.00 39.48 39.33 2crw n PHE 97 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.76 177.50 2crw h PHE 98 N 0.00 -1.60 0.06 -5.13 -1.00 -1.35 -1.77 116.94 106.16 2crw h PHE 98 Ca 0.28 0.06 0.03 0.00 2.81 0.00 0.00 57.97 61.15 2crw h PHE 98 Cb 0.51 0.73 -0.04 0.00 3.61 0.00 0.00 35.95 40.76 2crw h PHE 98 CO -0.88 -0.52 -0.31 1.25 -1.61 0.00 0.00 178.31 176.24 2crw h HIS 99 N -0.53 -0.84 -1.00 -0.55 2.76 -1.14 -1.93 115.15 111.93 2crw h HIS 99 Ca 0.04 0.02 0.24 0.00 -2.20 0.00 0.00 60.37 58.47 2crw h HIS 99 Cb 0.64 0.36 -0.19 0.00 1.55 0.00 0.00 27.41 29.78 2crw h HIS 99 CO -0.62 -0.41 -0.10 1.96 -1.30 0.00 0.00 177.93 177.46 2crw h GLN 100 N -0.50 0.00 0.05 5.26 4.20 -0.14 0.29 115.11 124.28 2crw h GLN 100 Ca 0.04 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2crw h GLN 100 Cb 0.55 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2crw h GLN 100 CO -0.22 0.00 -0.03 1.25 -0.67 0.00 0.00 178.83 179.17 2crw h HIS 101 N 0.00 -0.07 0.00 2.96 2.76 -0.70 -3.48 115.15 116.63 2crw h HIS 101 Ca 0.55 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.72 2crw h HIS 101 Cb 1.02 0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.00 2crw h HIS 101 CO -0.62 0.15 0.00 0.41 -1.30 0.00 0.00 177.93 176.56 2crw n GLY 102 N -0.57 0.94 2.79 5.26 0.00 0.10 -5.12 105.19 108.58 2crw n GLY 102 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2crw n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crw s SER 104 N 0.82 6.35 0.02 0.00 0.15 -1.26 -4.57 113.70 115.21 2crw s SER 104 Ca 0.14 -1.47 0.01 0.00 0.70 0.00 0.00 55.95 55.32 2crw s SER 104 Cb -0.21 -2.39 -0.01 0.00 -1.71 0.00 0.00 66.02 61.69 2crw s SER 104 CO -0.10 -1.24 -0.04 -0.89 1.20 0.00 0.00 173.24 172.18 2crw s THR 105 N 3.29 0.23 -0.02 6.45 2.01 -1.26 -5.04 115.64 121.30 2crw s THR 105 Ca 0.24 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.62 2crw s THR 105 Cb -0.14 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 2crw s THR 105 CO 0.02 -0.27 0.02 0.59 -0.69 0.00 0.00 174.62 174.29 2crw n ASN 106 N 2.09 4.33 -3.62 3.53 3.02 -1.26 -4.88 115.26 118.48 2crw n ASN 106 Ca -0.19 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.10 2crw n ASN 106 Cb 0.56 0.65 0.22 0.00 -0.61 0.00 0.00 39.78 40.61 2crw n ASN 106 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2crw n ASP 107 N -2.03 -3.29 -0.06 6.41 -0.08 -1.26 -4.90 116.55 111.34 2crw n ASP 107 Ca -0.04 -0.54 -0.08 0.00 -1.51 0.00 0.00 54.79 52.63 2crw n ASP 107 Cb 0.51 -0.93 -0.06 0.00 2.34 0.00 0.00 41.12 42.98 2crw n ASP 107 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2crw n THR 108 N -5.05 0.70 1.71 5.18 -1.04 -1.26 -3.54 114.28 110.99 2crw n THR 108 Ca 0.08 -0.31 0.13 0.00 -2.04 0.00 0.00 64.05 61.91 2crw n THR 108 Cb 0.49 -0.89 0.63 0.00 -1.82 0.00 0.00 70.33 68.75 2crw n THR 108 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2crw n ASN 109 N -2.73 0.74 0.00 8.00 2.85 -1.26 -3.45 115.26 119.40 2crw n ASN 109 Ca -0.20 -1.37 0.00 0.00 -0.11 0.00 0.00 54.58 52.90 2crw n ASN 109 Cb 0.76 -0.02 0.00 0.00 1.24 0.00 0.00 39.78 41.75 2crw n ASN 109 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2crw n ALA 110 N -0.37 2.60 -0.19 5.20 0.00 -1.26 -4.31 120.51 122.18 2crw n ALA 110 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.60 2crw n ALA 110 Cb 0.21 0.44 0.07 0.00 0.00 0.00 0.00 19.45 20.18 2crw n ALA 110 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2crw h LYS 111 N 0.00 0.55 0.00 0.00 3.64 -1.70 -1.53 116.57 117.52 2crw h LYS 111 Ca 0.00 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 2crw h LYS 111 Cb 0.89 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 2crw h LYS 111 CO 0.00 0.36 -0.34 1.88 -2.27 0.00 0.00 179.45 179.09 2crw h TYR 112 N 0.56 0.00 -0.31 1.91 0.05 -1.81 -3.19 116.97 114.19 2crw h TYR 112 Ca 0.26 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.04 2crw h TYR 112 Cb 0.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.91 2crw h TYR 112 CO -0.10 0.23 0.00 0.09 -1.05 0.00 0.00 178.16 177.33 2crw n ASN 113 N -3.11 3.09 -4.88 3.88 3.02 -0.66 -4.54 115.26 112.07 2crw n ASN 113 Ca 0.02 -2.37 -0.22 0.00 -0.03 0.00 0.00 54.58 51.98 2crw n ASN 113 Cb 0.63 -0.52 -0.04 0.00 -0.61 0.00 0.00 39.78 39.24 2crw n ASN 113 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2crw s SER 114 N -0.51 5.83 0.09 6.41 1.04 -0.71 -4.95 113.70 120.90 2crw s SER 114 Ca 0.27 -0.11 -0.35 0.00 0.48 0.00 0.00 55.95 56.23 2crw s SER 114 Cb 0.19 -1.58 -0.16 0.00 0.10 0.00 0.00 66.02 64.56 2crw s SER 114 CO 0.10 -0.04 1.57 -0.09 0.98 0.00 0.00 173.24 175.76 2crw h ARG 115 N 1.49 -0.91 -0.91 4.02 9.65 -1.90 -2.59 114.38 123.23 2crw h ARG 115 Ca -0.50 0.06 0.15 0.00 -1.10 0.00 0.00 59.98 58.60 2crw h ARG 115 Cb 1.23 0.21 -0.15 0.00 -1.39 0.00 0.00 29.97 29.86 2crw h ARG 115 CO 0.61 -0.61 -0.32 0.00 2.80 0.00 0.00 179.97 182.46 2crw n ALA 116 N -2.83 -0.02 -0.00 2.80 0.00 -1.26 0.06 120.51 119.26 2crw n ALA 116 Ca -0.11 0.93 -0.10 0.00 0.00 0.00 0.00 53.44 54.16 2crw n ALA 116 Cb 0.45 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 19.41 2crw n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2crw h ALA 117 N 1.41 -0.19 0.19 0.00 0.00 -1.69 -2.85 119.26 116.13 2crw h ALA 117 Ca 0.35 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2crw h ALA 117 Cb 0.58 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2crw h ALA 117 CO -0.91 -0.68 -0.43 1.96 0.00 0.00 0.00 179.25 179.19 2crw h GLN 118 N -0.28 -0.66 -0.82 0.00 4.20 -0.00 -1.52 115.11 116.03 2crw h GLN 118 Ca 0.10 0.04 0.34 0.00 0.06 0.00 0.00 58.65 59.20 2crw h GLN 118 Cb 0.43 0.15 -0.15 0.00 0.30 0.00 0.00 27.48 28.22 2crw h GLN 118 CO -0.30 -0.44 0.43 1.28 -0.67 0.00 0.00 178.83 179.13 2crw n LEU 119 N -4.93 0.27 0.25 1.46 4.77 -0.50 -0.33 117.00 118.00 2crw n LEU 119 Ca -0.08 1.36 -0.10 0.00 -0.03 0.00 0.00 56.01 57.17 2crw n LEU 119 Cb 0.35 -0.66 -0.05 0.00 -2.33 0.00 0.00 43.42 40.73 2crw n LEU 119 CO 0.15 -1.52 0.45 0.22 -1.33 0.00 0.00 177.39 175.36 2crw h TYR 120 N 0.00 -0.61 -0.44 -1.77 5.03 -1.06 -2.63 116.97 115.50 2crw h TYR 120 Ca 0.69 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 62.03 2crw h TYR 120 Cb 1.81 0.20 -0.05 0.00 1.55 0.00 0.00 36.73 40.24 2crw h TYR 120 CO -0.02 -0.38 -0.26 0.54 -1.32 0.00 0.00 178.16 176.72 2crw n ARG 121 N -3.96 -0.19 -0.22 1.82 1.74 0.55 0.24 116.66 116.64 2crw n ARG 121 Ca -0.08 1.01 -0.02 0.00 -0.77 0.00 0.00 57.85 57.98 2crw n ARG 121 Cb 0.26 -1.49 0.04 0.00 -1.02 0.00 0.00 32.46 30.25 2crw n ARG 121 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2crw h GLU 122 N 0.00 -0.08 -0.36 5.56 4.39 -1.57 -0.41 114.58 122.12 2crw h GLU 122 Ca 0.07 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.85 2crw h GLU 122 Cb 0.18 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.77 2crw h GLU 122 CO -0.42 -0.05 -0.20 -0.22 -1.16 0.00 0.00 179.01 176.96 2crw h LYS 123 N -0.08 -0.14 -1.00 2.33 3.64 0.19 -0.25 116.57 121.26 2crw h LYS 123 Ca 0.28 0.01 0.33 0.00 -1.27 0.00 0.00 60.65 60.01 2crw h LYS 123 Cb 0.53 0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 32.23 2crw h LYS 123 CO -0.70 -0.09 0.55 0.82 -2.27 0.00 0.00 179.45 177.76 2crw h ILE 124 N -0.14 0.25 -0.38 2.00 1.08 0.63 0.59 117.51 121.53 2crw h ILE 124 Ca 0.18 -0.09 -0.11 0.00 -0.39 0.00 0.00 64.86 64.45 2crw h ILE 124 Cb 0.42 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 2crw h ILE 124 CO -0.44 0.05 -0.18 0.50 -0.69 0.00 0.00 178.15 177.38 2crw h LYS 125 N 0.27 0.80 -0.78 2.37 3.64 -0.86 0.38 116.57 122.40 2crw h LYS 125 Ca 0.74 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 2crw h LYS 125 Cb 1.74 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.50 2crw h LYS 125 CO -0.64 0.98 0.44 1.03 -2.27 0.00 0.00 179.45 178.99 2crw h SER 126 N 0.60 0.96 0.05 4.20 0.87 0.54 -2.72 113.55 118.05 2crw h SER 126 Ca 0.09 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2crw h SER 126 Cb 0.73 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2crw h SER 126 CO 0.06 0.76 -0.03 -0.07 -0.53 0.00 0.00 176.83 177.03 2crw h LEU 127 N 1.07 -0.06 -1.84 2.23 3.38 -1.02 -3.28 115.31 115.78 2crw h LEU 127 Ca 0.28 -0.38 0.55 0.00 0.09 0.00 0.00 57.88 58.41 2crw h LEU 127 Cb 0.01 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.68 2crw h LEU 127 CO -0.05 0.60 1.30 0.00 0.09 0.00 0.00 178.44 180.39 2crw n ALA 128 N -2.68 1.77 -0.05 1.53 0.00 0.13 0.22 120.51 121.43 2crw n ALA 128 Ca -0.05 0.71 -0.16 0.00 0.00 0.00 0.00 53.44 53.93 2crw n ALA 128 Cb 0.21 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.49 2crw n ALA 128 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2crw h SER 129 N 0.00 0.97 -0.82 0.00 4.64 -1.55 -1.09 113.55 115.70 2crw h SER 129 Ca 0.93 -0.58 0.15 0.00 -0.47 0.00 0.00 61.79 61.82 2crw h SER 129 Cb 3.56 -0.28 -0.06 0.00 -0.31 0.00 0.00 62.40 65.31 2crw h SER 129 CO -0.12 1.38 0.54 0.06 -0.87 0.00 0.00 176.83 177.82 2crw h GLN 130 N 0.61 0.49 0.04 4.77 -0.00 0.26 0.57 115.11 121.85 2crw h GLN 130 Ca -0.02 -0.03 -0.30 0.00 -0.00 0.00 0.00 58.65 58.30 2crw h GLN 130 Cb 1.28 -0.11 -0.04 0.00 -0.00 0.00 0.00 27.48 28.61 2crw h GLN 130 CO 0.14 0.33 -1.67 0.00 -0.00 0.00 0.00 178.83 177.63 2crw h ALA 131 N 1.62 0.62 0.17 0.06 0.00 -1.47 -3.31 119.26 116.96 2crw h ALA 131 Ca 0.41 -1.36 -0.01 0.00 0.00 0.00 0.00 54.91 53.95 2crw h ALA 131 Cb 0.84 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2crw h ALA 131 CO -0.16 1.46 -0.08 1.15 0.00 0.00 0.00 179.25 181.62 2crw h THR 132 N 0.02 0.00 -0.80 0.00 2.02 -0.03 -3.27 112.91 110.84 2crw h THR 132 Ca -0.28 -0.40 0.12 0.00 0.77 0.00 0.00 66.41 66.62 2crw h THR 132 Cb 2.00 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 68.27 2crw h THR 132 CO 0.10 0.00 -0.41 0.03 0.37 0.00 0.00 175.52 175.60 2crw h ARG 133 N -0.63 -0.09 0.00 6.66 3.08 -0.14 -2.20 114.38 121.05 2crw h ARG 133 Ca -0.02 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2crw h ARG 133 Cb 0.18 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2crw h ARG 133 CO 0.04 -0.06 0.00 1.17 -1.07 0.00 0.00 179.97 180.05 2crw n LYS 134 N -5.42 0.00 -3.73 0.04 3.00 -1.25 -3.75 118.16 107.05 2crw n LYS 134 Ca 0.06 0.95 -0.37 0.00 -0.00 0.00 0.00 58.31 58.94 2crw n LYS 134 Cb 0.36 -1.42 -0.11 0.00 0.00 0.00 0.00 35.03 33.86 2crw n LYS 134 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2crw s HIS 135 N -2.99 3.55 0.00 5.64 3.76 -0.84 -5.01 115.29 119.41 2crw s HIS 135 Ca 0.00 -2.33 0.00 0.00 -0.15 0.00 0.00 55.06 52.58 2crw s HIS 135 Cb 0.00 -3.28 0.00 0.00 1.11 0.00 0.00 32.58 30.41 2crw s HIS 135 CO 0.00 -0.97 0.99 0.41 -0.85 0.00 0.00 174.74 174.32 2crw n GLY 136 N 4.60 -2.81 1.59 -2.22 0.00 -1.18 -3.72 105.19 101.47 2crw n GLY 136 Ca -0.03 0.30 -0.15 0.00 0.00 0.00 0.00 46.02 46.15 2crw n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2crw n THR 137 N -2.49 2.44 -4.31 2.61 -2.24 -1.26 -4.94 114.28 104.09 2crw n THR 137 Ca 0.00 -3.92 -0.17 0.00 -2.27 0.00 0.00 64.05 57.69 2crw n THR 137 Cb 0.00 -0.87 -0.10 0.00 -2.10 0.00 0.00 70.33 67.26 2crw n THR 137 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2crw s ASP 138 N -3.48 2.16 -0.62 3.42 1.01 -1.24 -4.99 116.67 112.92 2crw s ASP 138 Ca 0.47 -1.06 -0.16 0.00 0.71 0.00 0.00 52.55 52.52 2crw s ASP 138 Cb 0.40 -0.07 0.15 0.00 1.01 0.00 0.00 42.92 44.41 2crw s ASP 138 CO 0.01 -0.30 0.59 -0.76 0.21 0.00 0.00 175.17 174.92 2crw s LEU 139 N -3.26 6.26 0.38 1.23 1.43 -1.21 -4.75 118.68 118.76 2crw s LEU 139 Ca 0.21 -2.00 0.24 0.00 -1.03 0.00 0.00 54.13 51.55 2crw s LEU 139 Cb 0.02 -2.22 1.33 0.00 0.03 0.00 0.00 46.19 45.35 2crw s LEU 139 CO 0.05 -0.81 1.50 -2.67 0.23 0.00 0.00 176.35 174.65 2crw n TRP 140 N 5.02 0.96 -0.19 0.29 2.14 -1.26 0.23 117.44 124.63 2crw n TRP 140 Ca -0.06 0.97 -0.09 0.00 2.07 0.00 0.00 57.50 60.39 2crw n TRP 140 Cb 0.42 -1.38 0.05 0.00 -0.81 0.00 0.00 31.31 29.59 2crw n TRP 140 CO 0.00 0.00 0.00 1.37 2.07 0.00 0.00 177.69 181.13 2crw h LEU 141 N 0.00 1.00 -7.45 5.67 -0.00 -2.02 -3.42 115.31 109.09 2crw h LEU 141 Ca 0.82 -0.30 -0.38 0.00 -0.00 0.00 0.00 57.88 58.02 2crw h LEU 141 Cb 2.33 -0.27 -0.37 0.00 -0.00 0.00 0.00 40.66 42.35 2crw h LEU 141 CO -0.63 1.07 -0.75 -0.62 -0.00 0.00 0.00 178.44 177.51 2crw s ASP 142 N -6.62 1.04 -0.64 0.17 -1.08 0.64 -5.09 116.67 105.10 2crw s ASP 142 Ca -0.11 0.00 -0.26 0.00 -0.52 0.00 0.00 52.55 51.66 2crw s ASP 142 Cb 0.14 -0.25 -0.02 0.00 -1.46 0.00 0.00 42.92 41.32 2crw s ASP 142 CO 0.85 -0.19 1.87 -0.44 0.52 0.00 0.00 175.17 177.79 2crw s SER 143 N 1.76 5.25 -0.30 -0.34 0.01 -1.23 -3.35 113.70 115.52 2crw s SER 143 Ca 0.01 0.25 -0.21 0.00 1.31 0.00 0.00 55.95 57.31 2crw s SER 143 Cb -0.13 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 2crw s SER 143 CO -0.03 -2.41 0.67 -0.44 0.41 0.00 0.00 173.24 171.44 2crw s SER 144 N 8.12 6.55 0.50 2.44 0.01 -1.26 -5.02 113.70 125.04 2crw s SER 144 Ca 0.67 0.53 0.00 0.00 1.31 0.00 0.00 55.95 58.46 2crw s SER 144 Cb -0.12 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2crw s SER 144 CO 0.19 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.95 2crw n GLY 145 N 4.33 -2.99 3.57 3.44 0.00 -1.26 -4.78 105.19 107.49 2crw n GLY 145 Ca 0.00 -1.31 -0.27 0.00 0.00 0.00 0.00 46.02 44.44 2crw n GLY 145 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crw s PRO 146 N -1.50 2.52 0.03 1.61 0.04 -1.26 -4.95 135.00 131.50 2crw s PRO 146 Ca 0.00 -0.65 -0.04 0.00 0.04 0.00 0.00 61.00 60.35 2crw s PRO 146 Cb 0.00 -5.14 -0.05 0.00 0.04 0.00 0.00 34.50 29.36 2crw s PRO 146 CO 0.00 -3.63 0.25 0.45 0.04 0.00 0.00 177.00 174.11 2crw s SER 147 N 7.41 6.44 0.18 6.66 0.15 -1.26 -5.10 113.70 128.17 2crw s SER 147 Ca 0.69 0.47 -0.10 0.00 0.70 0.00 0.00 55.95 57.72 2crw s SER 147 Cb -0.04 -2.05 -0.01 0.00 -1.71 0.00 0.00 66.02 62.21 2crw s SER 147 CO 0.05 0.22 0.32 -0.55 1.20 0.00 0.00 173.24 174.48 2crw s SER 148 N -1.95 0.01 0.00 5.45 0.15 -1.26 -5.22 113.70 110.87 2crw s SER 148 Ca 0.30 -0.86 0.27 0.00 0.70 0.00 0.00 55.95 56.36 2crw s SER 148 Cb -0.13 0.46 0.80 0.00 -1.71 0.00 0.00 66.02 65.44 2crw s SER 148 CO 0.19 -0.93 1.61 0.61 1.20 0.00 0.00 173.24 175.92