#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 3.89 -0.42 1.61 0.15 -1.26 -4.86 113.70 112.81 2crw s SER 2 Ca 0.00 -0.49 -0.04 0.00 0.70 0.00 0.00 55.95 56.11 2crw s SER 2 Cb 0.00 -2.57 0.11 0.00 -1.71 0.00 0.00 66.02 61.85 2crw s SER 2 CO 0.00 -4.07 0.23 -0.44 1.20 0.00 0.00 173.24 170.16 2crw s SER 3 N 9.51 5.36 -0.96 5.45 0.01 -1.26 -5.00 113.70 126.82 2crw s SER 3 Ca 0.85 -1.97 -0.01 0.00 1.31 0.00 0.00 55.95 56.13 2crw s SER 3 Cb -0.09 -1.87 0.31 0.00 0.21 0.00 0.00 66.02 64.58 2crw s SER 3 CO 0.11 -0.57 1.53 0.61 0.41 0.00 0.00 173.24 175.33 2crw n GLY 4 N 4.68 5.68 3.15 3.44 0.00 -1.26 -4.95 105.19 115.93 2crw n GLY 4 Ca -0.04 -2.65 -0.37 0.00 0.00 0.00 0.00 46.02 42.96 2crw n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2crw s SER 5 N -1.84 5.30 0.36 1.61 0.15 -1.26 -5.09 113.70 112.95 2crw s SER 5 Ca 0.38 -1.90 -0.27 0.00 0.70 0.00 0.00 55.95 54.85 2crw s SER 5 Cb 0.15 -1.85 -0.09 0.00 -1.71 0.00 0.00 66.02 62.52 2crw s SER 5 CO -0.05 -0.53 1.21 -0.94 1.20 0.00 0.00 173.24 174.13 2crw s SER 6 N 1.89 6.67 0.00 5.45 1.04 -1.26 -4.73 113.70 122.76 2crw s SER 6 Ca 0.06 2.47 0.00 0.00 0.48 0.00 0.00 55.95 58.96 2crw s SER 6 Cb -0.23 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.26 2crw s SER 6 CO -0.03 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.22 2crw n GLY 7 N 0.77 -0.51 2.96 7.32 0.00 -1.26 -5.13 105.19 109.35 2crw n GLY 7 Ca 0.02 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 2crw n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2crw s MET 8 N -0.76 0.31 -0.06 1.61 0.00 -1.26 -5.13 119.30 114.01 2crw s MET 8 Ca 0.00 -0.35 -0.30 0.00 0.00 0.00 0.00 55.69 55.04 2crw s MET 8 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 34.83 34.64 2crw s MET 8 CO 0.00 0.03 1.13 0.20 0.00 0.00 0.00 175.02 176.39 2crw s GLY 9 N -0.69 2.25 0.66 3.16 0.00 -1.26 -5.01 107.32 106.43 2crw s GLY 9 Ca -0.05 0.57 -0.17 0.00 0.00 0.00 0.00 44.72 45.07 2crw s GLY 9 CO -0.00 2.08 1.21 0.99 0.00 0.00 0.00 173.10 177.38 2crw s ASP 10 N 1.31 4.70 -0.04 1.64 1.11 -1.26 -4.94 116.67 119.19 2crw s ASP 10 Ca 0.54 2.37 -0.30 0.00 0.18 0.00 0.00 52.55 55.33 2crw s ASP 10 Cb -0.23 -2.59 -0.05 0.00 1.07 0.00 0.00 42.92 41.12 2crw s ASP 10 CO 0.22 -1.93 1.48 -2.16 1.18 0.00 0.00 175.17 173.96 2crw s PRO 11 N -3.65 4.23 0.90 8.23 0.04 -1.26 -5.00 135.00 138.49 2crw s PRO 11 Ca 0.76 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 63.70 2crw s PRO 11 Cb -0.30 -3.75 0.13 0.00 0.04 0.00 0.00 34.50 30.63 2crw s PRO 11 CO 0.40 -0.70 1.10 -1.12 0.04 0.00 0.00 177.00 176.71 2crw s SER 12 N 2.43 3.29 0.05 6.66 0.01 -1.26 -4.67 113.70 120.21 2crw s SER 12 Ca 0.66 1.77 -0.12 0.00 1.31 0.00 0.00 55.95 59.57 2crw s SER 12 Cb -0.31 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 2crw s SER 12 CO 0.26 -2.80 1.20 0.50 0.41 0.00 0.00 173.24 172.81 2crw h LYS 13 N -1.66 -0.11 -0.94 12.44 3.64 -1.95 -0.37 116.57 127.62 2crw h LYS 13 Ca -0.48 0.01 0.22 0.00 -1.27 0.00 0.00 60.65 59.13 2crw h LYS 13 Cb 1.27 0.03 -0.18 0.00 -0.41 0.00 0.00 32.23 32.94 2crw h LYS 13 CO 0.50 -0.08 -0.12 -0.56 -2.27 0.00 0.00 179.45 176.92 2crw h GLN 14 N -0.12 0.01 -0.23 1.90 3.07 -1.97 0.37 115.11 118.15 2crw h GLN 14 Ca 0.03 -0.00 0.05 0.00 0.09 0.00 0.00 58.65 58.82 2crw h GLN 14 Cb 0.20 -0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.71 2crw h GLN 14 CO -0.24 0.01 -0.08 -0.44 0.09 0.00 0.00 178.83 178.17 2crw h ASP 15 N 0.01 -0.29 -0.66 0.06 3.32 -1.47 -1.50 116.42 115.90 2crw h ASP 15 Ca 0.50 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.65 2crw h ASP 15 Cb 0.88 0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.57 2crw h ASP 15 CO -0.92 -0.11 0.44 0.40 -1.72 0.00 0.00 179.24 177.32 2crw h ILE 16 N -0.04 1.12 -0.91 0.35 2.04 0.11 -1.82 117.51 118.35 2crw h ILE 16 Ca 0.12 -0.28 0.09 0.00 1.00 0.00 0.00 64.86 65.79 2crw h ILE 16 Cb 0.22 0.22 -0.07 0.00 -0.74 0.00 0.00 36.82 36.45 2crw h ILE 16 CO -0.26 0.15 0.59 -0.07 0.00 0.00 0.00 178.15 178.56 2crw h LEU 17 N 0.83 0.84 0.19 1.44 3.38 -0.02 -3.00 115.31 118.96 2crw h LEU 17 Ca 0.26 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 2crw h LEU 17 Cb 0.01 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2crw h LEU 17 CO -0.07 0.49 -0.09 0.74 0.09 0.00 0.00 178.44 179.61 2crw h THR 18 N 0.92 0.00 -0.90 0.22 2.02 -1.07 0.29 112.91 114.39 2crw h THR 18 Ca 0.42 -0.05 0.31 0.00 0.77 0.00 0.00 66.41 67.87 2crw h THR 18 Cb 0.39 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.70 2crw h THR 18 CO -0.18 0.00 0.58 -0.38 0.37 0.00 0.00 175.52 175.90 2crw n ILE 19 N -2.82 -0.17 -0.06 3.11 -0.00 -1.17 -0.24 119.36 118.01 2crw n ILE 19 Ca -0.03 1.19 -0.02 0.00 -0.00 0.00 0.00 62.75 63.89 2crw n ILE 19 Cb 0.10 -1.96 -0.01 0.00 -0.00 0.00 0.00 39.64 37.77 2crw n ILE 19 CO 0.00 0.00 0.00 -0.26 -0.00 0.00 0.00 176.55 176.29 2crw h PHE 20 N 0.00 0.00 -1.26 1.39 0.04 -1.41 -3.34 116.94 112.36 2crw h PHE 20 Ca 0.58 0.00 0.40 0.00 2.80 0.00 0.00 57.97 61.75 2crw h PHE 20 Cb 1.86 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.92 2crw h PHE 20 CO -0.00 0.00 0.85 0.36 -0.60 0.00 0.00 178.31 178.92 2crw n LYS 21 N -4.54 -0.02 -0.06 1.51 2.85 0.10 0.24 118.16 118.24 2crw n LYS 21 Ca -0.03 0.93 -0.12 0.00 -1.05 0.00 0.00 58.31 58.04 2crw n LYS 21 Cb 0.13 -1.95 -0.06 0.00 -0.65 0.00 0.00 35.03 32.50 2crw n LYS 21 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 2crw h ARG 22 N 0.00 0.34 0.01 -1.58 2.43 -1.37 -2.83 114.38 111.38 2crw h ARG 22 Ca 0.71 -0.13 -0.24 0.00 -0.81 0.00 0.00 59.98 59.50 2crw h ARG 22 Cb 2.50 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 32.06 2crw h ARG 22 CO -0.23 0.62 -0.95 -0.07 -1.51 0.00 0.00 179.97 177.83 2crw h LEU 23 N 0.04 0.81 -0.60 3.80 3.38 0.29 -3.30 115.31 119.73 2crw h LEU 23 Ca 0.04 -0.76 0.12 0.00 0.09 0.00 0.00 57.88 57.38 2crw h LEU 23 Cb 0.50 -0.25 -0.11 0.00 0.09 0.00 0.00 40.66 40.89 2crw h LEU 23 CO 0.02 1.46 -0.08 0.03 0.09 0.00 0.00 178.44 179.97 2crw h ARG 24 N 0.24 0.05 -0.95 1.13 3.08 -0.50 -0.18 114.38 117.25 2crw h ARG 24 Ca -0.12 -0.00 0.28 0.00 0.07 0.00 0.00 59.98 60.21 2crw h ARG 24 Cb 1.62 -0.01 -0.17 0.00 0.08 0.00 0.00 29.97 31.49 2crw h ARG 24 CO 0.19 0.03 0.19 1.03 -1.07 0.00 0.00 179.97 180.34 2crw h SER 25 N 0.05 -0.16 -2.89 7.04 0.87 -1.58 -3.31 113.55 113.58 2crw h SER 25 Ca 0.30 0.24 -0.58 0.00 -1.23 0.00 0.00 61.79 60.53 2crw h SER 25 Cb 0.47 0.36 0.09 0.00 -0.44 0.00 0.00 62.40 62.89 2crw h SER 25 CO -0.56 -0.29 0.55 0.52 -0.53 0.00 0.00 176.83 176.52 2crw n VAL 26 N -5.35 1.36 0.05 2.23 0.31 -0.08 -4.87 118.33 111.98 2crw n VAL 26 Ca 0.25 -0.34 -0.05 0.00 -0.01 0.00 0.00 64.34 64.19 2crw n VAL 26 Cb 0.82 -1.48 0.15 0.00 -0.91 0.00 0.00 33.84 32.42 2crw n VAL 26 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2crw h PRO 27 N 3.53 0.39 -0.00 5.55 0.13 -1.86 -0.37 132.00 139.37 2crw h PRO 27 Ca -0.45 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 2crw h PRO 27 Cb 1.28 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2crw h PRO 27 CO 0.70 0.76 -0.06 0.25 -0.23 0.00 0.00 178.00 179.42 2crw n THR 28 N -4.00 0.00 -0.08 1.56 -2.24 -1.26 -3.52 114.28 104.73 2crw n THR 28 Ca -0.02 -0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.68 2crw n THR 28 Cb 0.52 -0.40 -0.13 0.00 -2.10 0.00 0.00 70.33 68.22 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 -1.44 0.80 -0.19 3.42 3.02 -1.05 -4.31 115.26 115.51 2crw n ASN 29 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2crw n ASN 29 Cb 0.32 0.94 0.00 0.00 -0.61 0.00 0.00 39.78 40.43 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 -2.62 0.98 -3.87 3.52 2.85 -0.18 -4.65 118.16 114.19 2crw n LYS 30 Ca -0.27 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 56.76 2crw n LYS 30 Cb 1.04 -1.19 -0.17 0.00 -0.65 0.00 0.00 35.03 34.06 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 -1.62 0.54 -0.87 0.58 -7.23 -1.25 -0.93 120.40 109.63 2crw s VAL 31 Ca 0.00 -0.01 -0.34 0.00 -1.81 0.00 0.00 61.98 59.82 2crw s VAL 31 Cb 0.00 -0.65 -0.21 0.00 0.56 0.00 0.00 36.38 36.08 2crw s VAL 31 CO 0.00 0.28 2.56 0.00 -0.31 0.00 0.00 175.10 177.63 2crw h PHE 33 N 11.51 0.00 0.00 0.00 3.04 -1.67 0.98 116.94 130.80 2crw h PHE 33 Ca -0.07 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.88 2crw h PHE 33 Cb 1.33 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.84 2crw h PHE 33 CO 1.06 0.00 0.00 -3.47 -2.02 0.00 0.00 178.31 173.88 2crw n ASP 34 N -3.45 0.00 -0.12 0.41 -0.08 -1.26 -4.70 116.55 107.35 2crw n ASP 34 Ca 0.25 0.61 -0.25 0.00 -1.51 0.00 0.00 54.79 53.89 2crw n ASP 34 Cb 1.50 -0.38 -0.11 0.00 2.34 0.00 0.00 41.12 44.47 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 1.54 0.80 3.68 0.00 0.00 0.33 -4.92 105.19 106.62 2crw n GLY 36 Ca -0.47 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.06 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 0.70 -1.76 4.61 0.00 -1.26 -3.99 120.51 118.81 2crw n ALA 37 Ca 0.00 0.34 -0.38 0.00 0.00 0.00 0.00 53.44 53.40 2crw n ALA 37 Cb 0.00 -2.41 0.02 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 3.31 3.44 -1.13 0.00 1.02 -1.26 -1.15 119.74 123.97 2crw s LYS 38 Ca 0.91 1.98 -0.01 0.00 0.02 0.00 0.00 55.97 58.87 2crw s LYS 38 Cb -0.76 -2.31 -0.01 0.00 -0.52 0.00 0.00 37.83 34.23 2crw s LYS 38 CO 0.51 -0.87 0.95 0.09 -0.92 0.00 0.00 175.35 175.11 2crw n ASN 39 N -0.79 -2.82 -4.58 2.83 3.02 -0.10 -4.85 115.26 107.97 2crw n ASN 39 Ca 0.09 -0.61 -0.28 0.00 -0.03 0.00 0.00 54.58 53.75 2crw n ASN 39 Cb 0.47 -4.96 -0.06 0.00 -0.61 0.00 0.00 39.78 34.61 2crw n ASN 39 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2crw s PRO 40 N -5.14 2.48 0.15 3.52 0.04 -1.23 -4.82 135.00 130.01 2crw s PRO 40 Ca 0.08 -1.17 -0.31 0.00 0.04 0.00 0.00 61.00 59.63 2crw s PRO 40 Cb -0.01 -5.24 -0.08 0.00 0.04 0.00 0.00 34.50 29.21 2crw s PRO 40 CO 0.70 -4.01 1.54 0.66 0.04 0.00 0.00 177.00 175.93 2crw h SER 41 N 9.72 -2.06 -3.28 6.66 4.64 -1.89 -3.38 113.55 123.96 2crw h SER 41 Ca 0.22 0.30 -0.57 0.00 -0.47 0.00 0.00 61.79 61.26 2crw h SER 41 Cb 0.94 0.90 0.13 0.00 -0.31 0.00 0.00 62.40 64.06 2crw h SER 41 CO 1.22 -0.27 0.28 0.79 -0.87 0.00 0.00 176.83 177.98 2crw n TRP 42 N -5.25 1.49 -3.70 4.77 7.02 -1.13 -4.03 117.44 116.60 2crw n TRP 42 Ca 0.00 0.53 -0.13 0.00 -1.02 0.00 0.00 57.50 56.88 2crw n TRP 42 Cb 0.28 -2.27 -0.13 0.00 -2.42 0.00 0.00 31.31 26.76 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 -1.27 -0.53 -0.43 6.99 0.00 -1.06 -0.99 121.76 124.48 2crw s ALA 43 Ca 0.64 0.95 -0.20 0.00 0.00 0.00 0.00 51.96 53.35 2crw s ALA 43 Cb -0.53 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 21.84 2crw s ALA 43 CO 0.56 -0.37 0.58 0.45 0.00 0.00 0.00 175.76 176.98 2crw s SER 44 N 1.71 6.29 0.26 0.00 0.15 0.60 -2.52 113.70 120.18 2crw s SER 44 Ca -0.05 -0.41 -0.04 0.00 0.70 0.00 0.00 55.95 56.15 2crw s SER 44 Cb -0.11 -2.29 0.31 0.00 -1.71 0.00 0.00 66.02 62.22 2crw s SER 44 CO -0.08 -0.70 1.80 0.40 1.20 0.00 0.00 173.24 175.86 2crw h ILE 45 N 5.82 1.24 -0.54 6.45 2.04 -1.76 0.31 117.51 131.07 2crw h ILE 45 Ca -0.26 -0.83 0.05 0.00 1.00 0.00 0.00 64.86 64.82 2crw h ILE 45 Cb 1.10 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 37.67 2crw h ILE 45 CO 0.86 0.32 -0.34 0.74 0.00 0.00 0.00 178.15 179.72 2crw h THR 46 N 0.93 0.00 -0.62 -0.27 2.02 -1.92 0.50 112.91 113.54 2crw h THR 46 Ca 0.20 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.38 2crw h THR 46 Cb 0.28 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 2crw h THR 46 CO -0.01 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.66 2crw n TYR 47 N -4.31 1.50 -4.27 3.16 4.02 -1.22 -4.55 117.16 111.50 2crw n TYR 47 Ca 0.01 -0.59 -0.34 0.00 -0.01 0.00 0.00 57.90 56.97 2crw n TYR 47 Cb 0.16 -0.27 -0.06 0.00 -0.02 0.00 0.00 39.34 39.16 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 1.07 -0.31 3.49 2.72 0.00 0.16 -4.37 105.19 107.95 2crw n GLY 48 Ca 0.25 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.68 2.03 0.05 1.61 -7.23 -0.50 -1.49 120.40 111.18 2crw s VAL 49 Ca 0.43 -2.19 -0.03 0.00 -1.81 0.00 0.00 61.98 58.38 2crw s VAL 49 Cb -0.24 -2.54 -0.05 0.00 0.56 0.00 0.00 36.38 34.12 2crw s VAL 49 CO 0.96 -0.26 0.25 -0.36 -0.31 0.00 0.00 175.10 175.38 2crw s PHE 50 N -2.76 3.53 0.24 2.82 0.08 -1.26 -0.29 117.98 120.34 2crw s PHE 50 Ca 0.31 0.42 -0.03 0.00 0.12 0.00 0.00 56.93 57.75 2crw s PHE 50 Cb 0.02 -1.89 -0.03 0.00 -0.57 0.00 0.00 43.02 40.56 2crw s PHE 50 CO 0.14 0.58 0.25 -0.51 -0.10 0.00 0.00 175.22 175.59 2crw s LEU 51 N -2.21 1.01 0.08 -0.37 1.43 -0.16 -1.86 118.68 116.60 2crw s LEU 51 Ca 0.32 -1.33 0.08 0.00 -1.03 0.00 0.00 54.13 52.17 2crw s LEU 51 Cb -0.13 0.80 -0.04 0.00 0.03 0.00 0.00 46.19 46.86 2crw s LEU 51 CO 0.22 -0.97 -0.18 0.00 0.23 0.00 0.00 176.35 175.65 2crw n ILE 53 N 1.20 -0.28 0.47 0.00 0.13 -1.26 0.71 119.36 120.31 2crw n ILE 53 Ca -0.16 1.44 -0.20 0.00 -1.10 0.00 0.00 62.75 62.73 2crw n ILE 53 Cb 0.52 -2.21 -0.10 0.00 -0.84 0.00 0.00 39.64 37.02 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 -1.14 0.52 9.51 5.19 -2.01 -2.81 116.42 125.68 2crw h ASP 54 Ca 0.49 0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.93 2crw h ASP 54 Cb 1.17 0.31 0.01 0.00 0.18 0.00 0.00 39.33 41.00 2crw h ASP 54 CO -0.58 -0.75 -0.25 0.00 -3.12 0.00 0.00 179.24 174.54 2crw n SER 56 N -5.25 0.20 -0.08 0.00 3.41 0.20 0.18 113.62 112.27 2crw n SER 56 Ca -0.09 0.98 -0.06 0.00 -0.26 0.00 0.00 58.87 59.43 2crw n SER 56 Cb 0.30 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 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 0.27 0.24 5.00 0.00 -1.47 -1.78 103.07 105.33 2crw h GLY 57 Ca 0.52 0.06 0.12 0.00 0.00 0.00 0.00 47.33 48.04 2crw h GLY 57 CO -0.43 -0.09 0.24 1.76 0.00 0.00 0.00 176.54 178.02 2crw h SER 58 N 0.05 0.20 -0.31 0.19 0.02 0.17 -1.38 113.55 112.50 2crw h SER 58 Ca 0.15 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2crw h SER 58 Cb 0.21 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 2crw h SER 58 CO -0.28 0.10 0.20 0.45 -1.14 0.00 0.00 176.83 176.16 2crw h HIS 59 N 0.40 0.40 -0.68 3.45 3.86 -1.37 -2.09 115.15 119.11 2crw h HIS 59 Ca 0.36 0.01 0.14 0.00 -1.16 0.00 0.00 60.37 59.71 2crw h HIS 59 Cb 0.51 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.80 2crw h HIS 59 CO -0.18 0.26 0.46 0.00 0.86 0.00 0.00 177.93 179.33 2crw h ARG 60 N 0.41 0.31 -0.16 2.45 3.08 -0.45 -1.49 114.38 118.53 2crw h ARG 60 Ca 0.11 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 2crw h ARG 60 Cb -0.03 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2crw h ARG 60 CO -0.02 0.21 0.03 1.03 -1.07 0.00 0.00 179.97 180.14 2crw h SER 61 N 0.32 0.25 -0.50 7.04 0.87 -0.75 -3.15 113.55 117.63 2crw h SER 61 Ca 0.33 -0.25 0.10 0.00 -1.23 0.00 0.00 61.79 60.73 2crw h SER 61 Cb 0.84 -0.07 -0.10 0.00 -0.44 0.00 0.00 62.40 62.63 2crw h SER 61 CO -0.08 0.44 -0.24 -0.07 -0.53 0.00 0.00 176.83 176.35 2crw h LEU 62 N 0.05 -0.82 0.00 2.23 3.38 -1.08 -3.47 115.31 115.60 2crw h LEU 62 Ca 0.05 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2crw h LEU 62 Cb 0.29 0.44 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2crw h LEU 62 CO 0.00 -0.26 0.00 0.61 0.09 0.00 0.00 178.44 178.88 2crw n GLY 63 N -1.41 4.20 0.27 0.83 0.00 -1.17 -4.77 105.19 103.14 2crw n GLY 63 Ca 0.04 -0.72 0.23 0.00 0.00 0.00 0.00 46.02 45.57 2crw n GLY 63 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2crw n VAL 64 N 0.00 -0.34 -0.21 1.61 0.24 -1.26 0.24 118.33 118.61 2crw n VAL 64 Ca 0.00 1.68 -0.07 0.00 -2.04 0.00 0.00 64.34 63.91 2crw n VAL 64 Cb 0.00 -2.67 0.03 0.00 -1.47 0.00 0.00 33.84 29.73 2crw n VAL 64 CO 0.00 0.00 0.00 1.12 -2.14 0.00 0.00 176.83 175.81 2crw h HIS 65 N 0.00 0.89 -0.33 6.34 -0.00 -1.97 -2.20 115.15 117.88 2crw h HIS 65 Ca 0.65 -0.06 -0.09 0.00 -0.00 0.00 0.00 60.37 60.87 2crw h HIS 65 Cb 1.65 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 28.79 2crw h HIS 65 CO -0.10 0.71 -0.14 -0.07 -0.00 0.00 0.00 177.93 178.33 2crw h LEU 66 N 0.81 0.69 -6.16 6.12 3.38 0.28 -3.43 115.31 117.01 2crw h LEU 66 Ca 0.20 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2crw h LEU 66 Cb 0.19 -0.19 -0.24 0.00 0.09 0.00 0.00 40.66 40.51 2crw h LEU 66 CO -0.02 0.93 -0.40 -0.55 0.09 0.00 0.00 178.44 178.50 2crw s SER 67 N -6.35 -0.77 -0.17 -0.43 0.15 -0.13 -4.99 113.70 101.02 2crw s SER 67 Ca -0.13 0.30 -0.29 0.00 0.70 0.00 0.00 55.95 56.53 2crw s SER 67 Cb 0.09 1.70 -0.01 0.00 -1.71 0.00 0.00 66.02 66.10 2crw s SER 67 CO 0.81 -0.30 1.13 0.12 1.20 0.00 0.00 173.24 176.20 2crw s PHE 68 N 2.72 3.18 -0.06 3.44 5.36 -0.84 -4.31 117.98 127.48 2crw s PHE 68 Ca 0.14 1.30 -0.01 0.00 -0.96 0.00 0.00 56.93 57.41 2crw s PHE 68 Cb -0.13 -3.36 -0.03 0.00 -0.34 0.00 0.00 43.02 39.16 2crw s PHE 68 CO -0.23 -0.96 -0.01 0.42 -1.46 0.00 0.00 175.22 172.98 2crw s ILE 69 N 2.98 4.20 -0.03 3.12 -1.09 -1.26 -2.55 121.20 126.58 2crw s ILE 69 Ca 0.50 -0.37 -0.17 0.00 -2.23 0.00 0.00 60.65 58.38 2crw s ILE 69 Cb -0.19 -2.79 0.03 0.00 -1.58 0.00 0.00 42.46 37.93 2crw s ILE 69 CO 0.13 0.54 0.36 -0.13 -1.23 0.00 0.00 174.94 174.61 2crw s ARG 70 N -1.06 0.70 0.24 2.79 1.81 -1.05 -5.00 118.95 117.38 2crw s ARG 70 Ca 0.15 -0.08 -0.17 0.00 -1.72 0.00 0.00 55.73 53.91 2crw s ARG 70 Cb -0.11 0.32 -0.08 0.00 -0.45 0.00 0.00 34.95 34.62 2crw s ARG 70 CO 0.04 -0.19 0.69 -1.12 -0.68 0.00 0.00 175.30 174.04 2crw s SER 71 N -1.19 6.92 -0.08 0.23 0.01 -1.26 -2.56 113.70 115.77 2crw s SER 71 Ca -0.12 1.30 0.13 0.00 1.31 0.00 0.00 55.95 58.57 2crw s SER 71 Cb -0.04 -2.38 -0.24 0.00 0.21 0.00 0.00 66.02 63.58 2crw s SER 71 CO 0.05 -0.03 0.52 0.35 0.41 0.00 0.00 173.24 174.54 2crw n THR 72 N 0.39 1.57 -0.10 1.44 -2.24 -1.26 -3.70 114.28 110.39 2crw n THR 72 Ca -0.01 -0.80 -0.15 0.00 -2.27 0.00 0.00 64.05 60.82 2crw n THR 72 Cb 0.52 -0.95 -0.06 0.00 -2.10 0.00 0.00 70.33 67.73 2crw n THR 72 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2crw n GLU 73 N -3.00 0.52 0.00 -0.78 1.02 -1.26 -4.72 120.64 112.42 2crw n GLU 73 Ca -0.21 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 2crw n GLU 73 Cb 1.07 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 2crw n GLU 73 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2crw n LEU 74 N -4.47 0.04 -4.66 -4.62 4.77 -1.26 -4.62 117.00 102.18 2crw n LEU 74 Ca -0.24 0.87 -0.42 0.00 -0.03 0.00 0.00 56.01 56.18 2crw n LEU 74 Cb 0.54 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2crw n LEU 74 CO 0.14 -0.46 1.35 -0.62 -1.33 0.00 0.00 177.39 176.46 2crw s ASP 75 N -2.16 6.68 -0.21 -1.43 -1.08 -1.24 -4.88 116.67 112.33 2crw s ASP 75 Ca 0.00 2.24 0.12 0.00 -0.52 0.00 0.00 52.55 54.38 2crw s ASP 75 Cb 0.00 -2.54 0.44 0.00 -1.46 0.00 0.00 42.92 39.36 2crw s ASP 75 CO 0.00 -0.91 1.20 -1.20 0.52 0.00 0.00 175.17 174.78 2crw n SER 76 N 6.94 2.51 -1.51 -0.34 7.64 -1.26 -4.38 113.62 123.21 2crw n SER 76 Ca 0.17 -3.61 -0.13 0.00 1.01 0.00 0.00 58.87 56.31 2crw n SER 76 Cb 0.43 -0.46 0.09 0.00 -1.01 0.00 0.00 64.21 63.26 2crw n SER 76 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2crw n ASN 77 N -0.84 3.68 -4.77 6.43 0.23 -1.26 -4.43 115.26 114.29 2crw n ASN 77 Ca 0.24 -3.77 -0.37 0.00 -0.53 0.00 0.00 54.58 50.15 2crw n ASN 77 Cb 0.81 -0.41 -0.02 0.00 -2.08 0.00 0.00 39.78 38.08 2crw n ASN 77 CO 0.00 0.00 0.00 0.26 -0.93 0.00 0.00 177.26 176.59 2crw s TRP 78 N -3.44 2.99 -0.04 -2.53 0.52 -1.26 -5.02 118.94 110.16 2crw s TRP 78 Ca 0.46 1.56 -0.15 0.00 0.02 0.00 0.00 56.10 57.98 2crw s TRP 78 Cb 0.39 -3.34 -0.05 0.00 -1.15 0.00 0.00 33.47 29.32 2crw s TRP 78 CO -0.00 -1.31 0.40 -1.54 0.02 0.00 0.00 176.95 174.52 2crw s SER 79 N -1.33 6.74 0.26 2.95 1.04 -1.26 -4.34 113.70 117.75 2crw s SER 79 Ca 0.61 0.88 0.16 0.00 0.48 0.00 0.00 55.95 58.07 2crw s SER 79 Cb -0.28 -2.25 0.92 0.00 0.10 0.00 0.00 66.02 64.51 2crw s SER 79 CO 0.34 0.24 1.04 0.79 0.98 0.00 0.00 173.24 176.64 2crw n TRP 80 N 2.35 0.70 0.20 5.02 7.02 -1.26 0.20 117.44 131.68 2crw n TRP 80 Ca -0.13 0.71 -0.08 0.00 -1.02 0.00 0.00 57.50 56.98 2crw n TRP 80 Cb 0.52 -1.14 -0.04 0.00 -2.42 0.00 0.00 31.31 28.24 2crw n TRP 80 CO 0.00 0.00 0.00 0.35 -2.02 0.00 0.00 177.69 176.02 2crw h PHE 81 N 0.00 -0.50 -1.11 -5.99 3.57 -1.92 -2.49 116.94 108.50 2crw h PHE 81 Ca 0.57 -0.01 0.31 0.00 3.53 0.00 0.00 57.97 62.36 2crw h PHE 81 Cb 1.58 0.17 -0.09 0.00 2.79 0.00 0.00 35.95 40.40 2crw h PHE 81 CO -0.01 -0.31 0.73 1.96 -2.23 0.00 0.00 178.31 178.45 2crw h GLN 82 N -0.75 0.26 0.45 1.11 4.20 -0.64 0.50 115.11 120.24 2crw h GLN 82 Ca -0.06 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2crw h GLN 82 Cb 0.42 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2crw h GLN 82 CO 0.09 0.17 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.14 2crw h LEU 83 N 0.27 -0.51 -1.71 1.46 3.38 -1.02 -3.06 115.31 114.13 2crw h LEU 83 Ca 0.62 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.75 2crw h LEU 83 Cb 1.81 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.66 2crw h LEU 83 CO -0.25 -0.33 0.45 0.03 0.09 0.00 0.00 178.44 178.44 2crw h ARG 84 N -0.67 0.29 -0.44 1.13 2.47 -0.89 0.23 114.38 116.50 2crw h ARG 84 Ca -0.06 -0.02 0.13 0.00 -1.26 0.00 0.00 59.98 58.77 2crw h ARG 84 Cb 0.46 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.70 2crw h ARG 84 CO 0.10 0.19 0.55 0.00 0.56 0.00 0.00 179.97 181.38 2crw h MET 86 N 0.00 0.34 0.51 0.00 2.86 -0.98 -3.24 114.93 114.43 2crw h MET 86 Ca 0.21 -0.57 -0.03 0.00 -2.06 0.00 0.00 59.70 57.25 2crw h MET 86 Cb 1.31 0.21 0.01 0.00 0.06 0.00 0.00 31.60 33.19 2crw h MET 86 CO -0.00 1.27 -0.25 1.96 1.06 0.00 0.00 176.91 180.95 2crw h GLN 87 N -0.28 -0.66 0.00 1.72 4.20 -0.83 -2.84 115.11 116.41 2crw h GLN 87 Ca -0.15 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.60 2crw h GLN 87 Cb 1.70 0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.63 2crw h GLN 87 CO 0.17 -0.38 0.57 -0.39 -0.67 0.00 0.00 178.83 178.14 2crw h VAL 88 N -1.08 0.00 0.00 -0.54 -1.51 -1.21 -3.37 116.25 108.54 2crw h VAL 88 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 2crw h VAL 88 Cb 0.59 0.42 0.00 0.00 -2.13 0.00 0.00 31.29 30.18 2crw h VAL 88 CO 0.12 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.07 2crw n GLY 89 N -1.32 0.63 0.00 5.19 0.00 -1.11 -4.97 105.19 103.61 2crw n GLY 89 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 3.20 0.28 -0.02 0.00 -0.56 -4.60 105.19 108.50 2crw n GLY 90 Ca 0.00 -1.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.74 -0.65 1.61 4.21 -1.79 -2.92 115.58 115.30 2crw h ASN 91 Ca 0.00 0.05 0.14 0.00 1.21 0.00 0.00 56.30 57.70 2crw h ASN 91 Cb 0.00 0.23 -0.11 0.00 -1.12 0.00 0.00 38.32 37.33 2crw h ASN 91 CO 0.00 -0.39 0.05 0.00 -1.29 0.00 0.00 177.43 175.80 2crw h ALA 92 N -1.37 0.70 -0.97 -0.83 0.00 -1.92 -0.76 119.26 114.11 2crw h ALA 92 Ca -0.04 0.19 0.24 0.00 0.00 0.00 0.00 54.91 55.29 2crw h ALA 92 Cb 0.50 0.30 -0.18 0.00 0.00 0.00 0.00 17.79 18.42 2crw h ALA 92 CO 0.00 -0.38 -0.08 0.43 0.00 0.00 0.00 179.25 179.22 2crw n SER 93 N -5.25 -0.21 -0.05 0.00 7.64 -1.11 -0.79 113.62 113.85 2crw n SER 93 Ca 0.10 1.65 -0.14 0.00 1.01 0.00 0.00 58.87 61.50 2crw n SER 93 Cb 0.38 -0.56 -0.12 0.00 -1.01 0.00 0.00 64.21 62.90 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 1.94 0.00 -0.90 -0.43 0.00 -1.08 -1.51 119.26 117.27 2crw h ALA 94 Ca 0.54 -0.46 0.35 0.00 0.00 0.00 0.00 54.91 55.34 2crw h ALA 94 Cb 1.01 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.64 2crw h ALA 94 CO -0.95 -0.02 0.40 0.45 0.00 0.00 0.00 179.25 179.14 2crw n SER 95 N -4.62 0.24 -0.08 0.00 2.88 0.03 -1.19 113.62 110.89 2crw n SER 95 Ca -0.10 1.50 -0.10 0.00 -1.33 0.00 0.00 58.87 58.84 2crw n SER 95 Cb 0.46 -0.70 -0.05 0.00 -0.75 0.00 0.00 64.21 63.17 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 -5.08 1.83 -0.29 -3.46 7.64 -0.58 -4.04 113.62 109.63 2crw n SER 96 Ca 0.32 0.57 -0.06 0.00 1.01 0.00 0.00 58.87 60.71 2crw n SER 96 Cb 1.07 -0.90 -0.04 0.00 -1.01 0.00 0.00 64.21 63.33 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 -4.56 -0.22 -0.10 1.43 -0.00 -0.57 0.72 117.46 114.17 2crw n PHE 97 Ca -0.16 0.88 -0.07 0.00 -0.00 0.00 0.00 57.45 58.11 2crw n PHE 97 Cb 0.40 -0.62 -0.01 0.00 -0.00 0.00 0.00 39.48 39.26 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 -0.70 0.21 -5.13 0.04 -1.36 -2.21 116.94 107.78 2crw h PHE 98 Ca 0.15 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.97 2crw h PHE 98 Cb 0.33 0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.82 2crw h PHE 98 CO -0.70 -0.34 -0.22 1.25 -0.60 0.00 0.00 178.31 177.71 2crw h HIS 99 N -0.21 -0.57 -0.91 -0.55 2.76 0.15 -1.80 115.15 114.02 2crw h HIS 99 Ca 0.17 0.00 0.21 0.00 -2.20 0.00 0.00 60.37 58.56 2crw h HIS 99 Cb 0.49 0.22 -0.17 0.00 1.55 0.00 0.00 27.41 29.50 2crw h HIS 99 CO -0.47 -0.32 -0.13 1.04 -1.30 0.00 0.00 177.93 176.76 2crw n GLN 100 N -5.34 -0.08 -0.06 5.26 1.13 0.62 0.57 117.38 119.48 2crw n GLN 100 Ca -0.08 1.40 -0.13 0.00 -1.94 0.00 0.00 57.00 56.25 2crw n GLN 100 Cb 0.25 -2.14 -0.06 0.00 0.11 0.00 0.00 30.24 28.40 2crw n GLN 100 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2crw h HIS 101 N 0.00 0.43 0.00 1.08 2.76 -1.12 -3.48 115.15 114.81 2crw h HIS 101 Ca 0.48 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 2crw h HIS 101 Cb 0.86 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.72 2crw h HIS 101 CO -0.60 0.70 0.00 0.41 -1.30 0.00 0.00 177.93 177.14 2crw n GLY 102 N 0.06 0.91 0.27 5.26 0.00 0.19 -5.02 105.19 106.87 2crw n GLY 102 Ca -0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.98 2crw n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crw n SER 104 N -4.90 -4.46 -3.97 0.00 7.64 -1.26 -4.98 113.62 101.69 2crw n SER 104 Ca 0.11 -0.76 -0.16 0.00 1.01 0.00 0.00 58.87 59.07 2crw n SER 104 Cb 0.30 -4.04 -0.14 0.00 -1.01 0.00 0.00 64.21 59.32 2crw n SER 104 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2crw s THR 105 N -3.36 0.47 -0.09 0.44 2.01 -1.26 -5.03 115.64 108.82 2crw s THR 105 Ca 0.56 -0.25 0.08 0.00 0.31 0.00 0.00 61.69 62.39 2crw s THR 105 Cb -0.28 -0.40 -0.11 0.00 0.01 0.00 0.00 72.50 71.72 2crw s THR 105 CO 0.82 0.13 0.02 -0.46 -0.69 0.00 0.00 174.62 174.44 2crw n ASN 106 N 2.95 2.73 -3.37 3.53 6.94 -1.26 -4.84 115.26 121.94 2crw n ASN 106 Ca -0.13 -0.01 -0.15 0.00 -0.02 0.00 0.00 54.58 54.27 2crw n ASN 106 Cb 0.58 0.65 0.15 0.00 -2.36 0.00 0.00 39.78 38.80 2crw n ASN 106 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2crw n ASP 107 N -2.39 -3.00 -0.02 0.53 2.03 -1.26 -4.89 116.55 107.55 2crw n ASP 107 Ca -0.16 -0.44 -0.03 0.00 0.52 0.00 0.00 54.79 54.68 2crw n ASP 107 Cb 0.80 -0.68 -0.03 0.00 -0.72 0.00 0.00 41.12 40.49 2crw n ASP 107 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2crw n THR 108 N -4.39 0.29 1.21 5.18 -1.04 -1.26 -3.79 114.28 110.48 2crw n THR 108 Ca 0.07 -0.13 0.14 0.00 -2.04 0.00 0.00 64.05 62.10 2crw n THR 108 Cb 0.30 -0.73 0.69 0.00 -1.82 0.00 0.00 70.33 68.77 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 -2.52 0.00 -0.03 8.00 2.85 -1.26 -3.17 115.26 119.14 2crw n ASN 109 Ca -0.08 0.18 -0.07 0.00 -0.11 0.00 0.00 54.58 54.50 2crw n ASN 109 Cb 0.60 -0.39 -0.02 0.00 1.24 0.00 0.00 39.78 41.21 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 -1.39 2.54 -0.27 5.20 0.00 -1.26 -4.08 120.51 121.24 2crw n ALA 110 Ca 0.11 -0.26 0.06 0.00 0.00 0.00 0.00 53.44 53.35 2crw n ALA 110 Cb 0.29 0.37 0.20 0.00 0.00 0.00 0.00 19.45 20.32 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 -0.25 0.50 0.00 0.00 3.64 -1.71 0.03 116.57 118.78 2crw h LYS 111 Ca -0.15 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.04 2crw h LYS 111 Cb 1.00 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 2crw h LYS 111 CO -0.09 0.33 -0.81 1.88 -2.27 0.00 0.00 179.45 178.49 2crw h TYR 112 N 0.51 0.00 -0.25 1.91 0.05 -1.80 -3.22 116.97 114.18 2crw h TYR 112 Ca 0.44 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 59.17 2crw h TYR 112 Cb 0.65 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.36 2crw h TYR 112 CO -0.13 0.76 0.06 0.09 -1.05 0.00 0.00 178.16 177.88 2crw n ASN 113 N -3.26 2.88 -4.68 3.88 3.02 -0.10 -4.63 115.26 112.37 2crw n ASN 113 Ca -0.00 -2.40 -0.24 0.00 -0.03 0.00 0.00 54.58 51.91 2crw n ASN 113 Cb 0.85 -0.58 -0.07 0.00 -0.61 0.00 0.00 39.78 39.36 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 -0.17 4.46 0.10 6.41 1.04 -0.60 -4.94 113.70 120.00 2crw s SER 114 Ca 0.20 -0.85 -0.29 0.00 0.48 0.00 0.00 55.95 55.50 2crw s SER 114 Cb 0.16 -0.66 -0.12 0.00 0.10 0.00 0.00 66.02 65.50 2crw s SER 114 CO 0.05 -0.23 1.63 -0.09 0.98 0.00 0.00 173.24 175.58 2crw h ARG 115 N 1.70 -0.58 -1.52 4.02 9.65 -1.89 -1.33 114.38 124.43 2crw h ARG 115 Ca -0.43 0.04 0.44 0.00 -1.10 0.00 0.00 59.98 58.93 2crw h ARG 115 Cb 1.25 0.13 -0.06 0.00 -1.39 0.00 0.00 29.97 29.90 2crw h ARG 115 CO 0.64 -0.39 1.27 0.00 2.80 0.00 0.00 179.97 184.30 2crw h ALA 116 N -0.01 3.43 0.16 2.80 0.00 -1.94 1.06 119.26 124.76 2crw h ALA 116 Ca -0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 2crw h ALA 116 Cb 0.57 0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.49 2crw h ALA 116 CO -0.08 -2.06 -0.94 0.00 0.00 0.00 0.00 179.25 176.17 2crw h ALA 117 N 0.88 -0.10 -0.17 0.00 0.00 -1.45 -3.32 119.26 115.11 2crw h ALA 117 Ca 0.72 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2crw h ALA 117 Cb 3.26 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 21.17 2crw h ALA 117 CO -0.01 0.44 0.08 -0.56 0.00 0.00 0.00 179.25 179.20 2crw h GLN 118 N -0.29 0.24 -1.12 0.00 3.07 0.14 -2.33 115.11 114.82 2crw h GLN 118 Ca -0.17 -0.04 0.32 0.00 0.09 0.00 0.00 58.65 58.86 2crw h GLN 118 Cb 1.73 -0.04 -0.05 0.00 0.08 0.00 0.00 27.48 29.20 2crw h GLN 118 CO 0.17 0.30 0.80 -0.07 0.09 0.00 0.00 178.83 180.12 2crw h LEU 119 N 0.13 0.02 0.01 0.06 3.38 -1.28 -0.01 115.31 117.61 2crw h LEU 119 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2crw h LEU 119 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2crw h LEU 119 CO -0.01 0.00 -0.00 0.22 0.09 0.00 0.00 178.44 178.74 2crw h TYR 120 N 0.02 -0.01 0.39 1.13 5.03 -1.53 -3.15 116.97 118.85 2crw h TYR 120 Ca 0.54 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.84 2crw h TYR 120 Cb 2.12 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 40.38 2crw h TYR 120 CO -0.00 0.81 -0.49 0.00 -1.32 0.00 0.00 178.16 177.17 2crw h ARG 121 N -0.90 -0.87 -0.94 1.82 3.08 -0.67 -1.25 114.38 114.65 2crw h ARG 121 Ca -0.00 0.06 0.26 0.00 0.07 0.00 0.00 59.98 60.37 2crw h ARG 121 Cb 0.83 0.20 -0.14 0.00 0.08 0.00 0.00 29.97 30.94 2crw h ARG 121 CO 0.00 -0.58 0.42 0.93 -1.07 0.00 0.00 179.97 179.67 2crw h GLU 122 N -0.90 0.32 -0.73 0.04 5.08 -1.36 0.39 114.58 117.42 2crw h GLU 122 Ca -0.05 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2crw h GLU 122 Cb 0.81 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 2crw h GLU 122 CO -0.11 0.21 0.36 -0.22 -1.00 0.00 0.00 179.01 178.26 2crw h LYS 123 N 0.33 1.05 -0.85 2.33 3.64 -1.34 -2.44 116.57 119.29 2crw h LYS 123 Ca 0.62 -0.15 0.06 0.00 -1.27 0.00 0.00 60.65 59.91 2crw h LYS 123 Cb 1.30 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.87 2crw h LYS 123 CO -0.59 0.81 0.55 0.82 -2.27 0.00 0.00 179.45 178.77 2crw h ILE 124 N 1.02 1.08 -0.21 2.00 1.08 0.92 -0.40 117.51 123.01 2crw h ILE 124 Ca 0.25 -0.33 -0.09 0.00 -0.39 0.00 0.00 64.86 64.30 2crw h ILE 124 Cb 0.10 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 33.86 2crw h ILE 124 CO -0.03 0.18 -0.26 0.50 -0.69 0.00 0.00 178.15 177.84 2crw h LYS 125 N 0.97 0.40 -0.10 2.37 3.64 -0.97 0.29 116.57 123.17 2crw h LYS 125 Ca 0.36 -0.15 -0.13 0.00 -1.27 0.00 0.00 60.65 59.46 2crw h LYS 125 Cb 0.16 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2crw h LYS 125 CO -0.12 0.63 -0.45 0.77 -2.27 0.00 0.00 179.45 178.01 2crw h SER 126 N 0.35 0.57 0.49 4.20 0.02 -0.91 -3.26 113.55 115.01 2crw h SER 126 Ca 0.05 -0.64 -0.02 0.00 -0.84 0.00 0.00 61.79 60.34 2crw h SER 126 Cb 0.65 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2crw h SER 126 CO 0.05 1.11 -0.24 -0.07 -1.14 0.00 0.00 176.83 176.54 2crw h LEU 127 N 0.06 -0.56 -0.88 5.07 3.38 -1.04 -3.19 115.31 118.16 2crw h LEU 127 Ca -0.03 0.02 0.32 0.00 0.09 0.00 0.00 57.88 58.28 2crw h LEU 127 Cb 1.09 0.15 -0.11 0.00 0.09 0.00 0.00 40.66 41.88 2crw h LEU 127 CO 0.09 -0.19 0.54 0.00 0.09 0.00 0.00 178.44 178.97 2crw n ALA 128 N -2.66 0.88 -0.06 1.53 0.00 0.08 0.23 120.51 120.50 2crw n ALA 128 Ca -0.08 0.64 -0.10 0.00 0.00 0.00 0.00 53.44 53.90 2crw n ALA 128 Cb 0.26 -0.73 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 2crw n ALA 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2crw h SER 129 N 0.00 0.29 -0.77 0.00 0.87 -1.59 0.24 113.55 112.59 2crw h SER 129 Ca 0.61 -0.07 0.16 0.00 -1.23 0.00 0.00 61.79 61.26 2crw h SER 129 Cb 1.85 -0.07 -0.10 0.00 -0.44 0.00 0.00 62.40 63.63 2crw h SER 129 CO -0.40 0.28 0.28 0.06 -0.53 0.00 0.00 176.83 176.51 2crw h GLN 130 N 0.28 0.37 0.06 2.24 3.07 0.29 0.79 115.11 122.20 2crw h GLN 130 Ca 0.08 -0.02 -0.26 0.00 0.09 0.00 0.00 58.65 58.54 2crw h GLN 130 Cb 0.04 -0.08 0.01 0.00 0.08 0.00 0.00 27.48 27.53 2crw h GLN 130 CO -0.01 0.25 -1.09 0.00 0.09 0.00 0.00 178.83 178.06 2crw h ALA 131 N 1.59 0.18 0.09 0.06 0.00 -1.40 -3.05 119.26 116.74 2crw h ALA 131 Ca 0.44 -0.75 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2crw h ALA 131 Cb 0.71 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2crw h ALA 131 CO -0.45 0.79 -0.05 1.15 0.00 0.00 0.00 179.25 180.69 2crw h THR 132 N 0.24 0.00 -0.75 0.00 2.02 0.85 -3.34 112.91 111.93 2crw h THR 132 Ca -0.13 -0.08 0.11 0.00 0.77 0.00 0.00 66.41 67.08 2crw h THR 132 Cb 1.76 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 68.04 2crw h THR 132 CO 0.20 0.00 -0.43 0.03 0.37 0.00 0.00 175.52 175.69 2crw h ARG 133 N -0.21 -0.12 -6.09 6.66 3.08 0.35 -3.35 114.38 114.69 2crw h ARG 133 Ca -0.01 0.01 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 2crw h ARG 133 Cb 0.10 0.03 0.13 0.00 0.08 0.00 0.00 29.97 30.31 2crw h ARG 133 CO 0.02 -0.08 -0.62 1.17 -1.07 0.00 0.00 179.97 179.39 2crw n LYS 134 N -5.41 0.20 -3.73 0.04 4.81 -1.15 -0.28 118.16 112.64 2crw n LYS 134 Ca 0.04 0.07 -0.30 0.00 -0.87 0.00 0.00 58.31 57.25 2crw n LYS 134 Cb 0.35 -1.15 -0.06 0.00 0.02 0.00 0.00 35.03 34.19 2crw n LYS 134 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2crw n HIS 135 N -0.54 -0.85 0.00 5.64 8.25 -1.26 -4.53 115.22 121.93 2crw n HIS 135 Ca 0.14 0.49 0.00 0.00 -0.26 0.00 0.00 57.72 58.09 2crw n HIS 135 Cb 0.34 -1.42 0.00 0.00 1.12 0.00 0.00 29.99 30.02 2crw n HIS 135 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2crw n GLY 136 N -1.04 1.35 2.35 -1.41 0.00 0.62 0.13 105.19 107.18 2crw n GLY 136 Ca 0.05 0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 3.40 -4.02 2.61 -2.24 -1.26 -4.62 114.28 108.14 2crw n THR 137 Ca 0.00 -2.89 -0.31 0.00 -2.27 0.00 0.00 64.05 58.58 2crw n THR 137 Cb 0.00 -1.26 -0.16 0.00 -2.10 0.00 0.00 70.33 66.81 2crw n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2crw s ASP 138 N -0.98 3.72 -0.70 3.42 2.15 0.34 -5.03 116.67 119.58 2crw s ASP 138 Ca 0.54 -1.04 -0.12 0.00 0.43 0.00 0.00 52.55 52.36 2crw s ASP 138 Cb 0.42 -1.34 -0.21 0.00 -0.30 0.00 0.00 42.92 41.49 2crw s ASP 138 CO -0.11 -0.15 1.66 0.18 -0.17 0.00 0.00 175.17 176.58 2crw n LEU 139 N 4.60 -0.56 -0.22 -1.34 4.77 -1.26 -4.64 117.00 118.36 2crw n LEU 139 Ca -0.15 -0.19 0.18 0.00 -0.03 0.00 0.00 56.01 55.82 2crw n LEU 139 Cb 0.45 -0.48 0.33 0.00 -2.33 0.00 0.00 43.42 41.40 2crw n LEU 139 CO 0.21 -0.82 0.66 -2.67 -1.33 0.00 0.00 177.39 173.44 2crw n TRP 140 N 5.23 0.67 -0.32 -1.77 2.14 -1.26 -0.31 117.44 121.83 2crw n TRP 140 Ca 0.47 0.80 -0.08 0.00 2.07 0.00 0.00 57.50 60.76 2crw n TRP 140 Cb 0.07 -1.16 -0.06 0.00 -0.81 0.00 0.00 31.31 29.35 2crw n TRP 140 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 2crw n LEU 141 N -4.63 -0.78 -3.50 5.67 4.32 -1.26 -4.70 117.00 112.13 2crw n LEU 141 Ca 0.22 1.36 -0.14 0.00 -0.02 0.00 0.00 56.01 57.43 2crw n LEU 141 Cb 0.76 -0.19 -0.04 0.00 -1.62 0.00 0.00 43.42 42.32 2crw n LEU 141 CO -0.01 -1.12 0.51 -1.81 -1.22 0.00 0.00 177.39 173.74 2crw s ASP 142 N -5.37 -0.55 0.41 -1.43 1.01 0.58 -5.16 116.67 106.14 2crw s ASP 142 Ca -0.09 0.38 -0.20 0.00 0.71 0.00 0.00 52.55 53.35 2crw s ASP 142 Cb 0.09 0.50 -0.11 0.00 1.01 0.00 0.00 42.92 44.42 2crw s ASP 142 CO 0.48 -0.67 0.91 -0.55 0.21 0.00 0.00 175.17 175.55 2crw s SER 143 N -1.77 6.91 0.08 0.27 0.15 -1.26 -4.49 113.70 113.58 2crw s SER 143 Ca -0.04 1.61 0.01 0.00 0.70 0.00 0.00 55.95 58.23 2crw s SER 143 Cb -0.00 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.76 2crw s SER 143 CO -0.00 -0.33 0.20 -0.55 1.20 0.00 0.00 173.24 173.76 2crw s SER 144 N -2.19 6.21 1.31 5.45 0.15 -1.26 -5.11 113.70 118.27 2crw s SER 144 Ca 0.60 0.21 -0.18 0.00 0.70 0.00 0.00 55.95 57.28 2crw s SER 144 Cb -0.09 -1.87 0.28 0.00 -1.71 0.00 0.00 66.02 62.62 2crw s SER 144 CO 0.14 0.15 0.76 0.61 1.20 0.00 0.00 173.24 176.10 2crw n GLY 145 N 0.19 -3.44 3.55 9.45 0.00 -1.26 -4.85 105.19 108.85 2crw n GLY 145 Ca -0.06 -1.36 -0.36 0.00 0.00 0.00 0.00 46.02 44.24 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 -4.77 2.61 0.30 1.61 0.04 -1.26 -4.97 135.00 128.56 2crw s PRO 146 Ca 0.54 0.41 0.07 0.00 0.04 0.00 0.00 61.00 62.07 2crw s PRO 146 Cb -0.08 -4.54 -0.03 0.00 0.04 0.00 0.00 34.50 29.90 2crw s PRO 146 CO 0.44 -2.87 0.30 -1.54 0.04 0.00 0.00 177.00 173.36 2crw s SER 147 N 8.09 5.55 0.19 6.66 1.04 -1.26 -5.14 113.70 128.83 2crw s SER 147 Ca 0.68 -0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.80 2crw s SER 147 Cb -0.11 -1.21 -0.05 0.00 0.10 0.00 0.00 66.02 64.75 2crw s SER 147 CO 0.16 -0.25 0.01 -0.44 0.98 0.00 0.00 173.24 173.70 2crw s SER 148 N -3.98 1.23 0.00 7.02 0.01 -1.26 -5.26 113.70 111.45 2crw s SER 148 Ca 0.39 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.44 2crw s SER 148 Cb -0.07 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.28 2crw s SER 148 CO 0.27 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.94