#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 0.72 0.53 1.61 0.15 -1.26 -5.18 113.70 110.27 2crw s SER 2 Ca 0.00 -1.49 0.05 0.00 0.70 0.00 0.00 55.95 55.21 2crw s SER 2 Cb 0.00 0.48 0.03 0.00 -1.71 0.00 0.00 66.02 64.81 2crw s SER 2 CO 0.00 -0.97 0.34 -0.55 1.20 0.00 0.00 173.24 173.26 2crw s SER 3 N -3.23 4.57 0.00 5.45 0.15 -1.26 -5.13 113.70 114.25 2crw s SER 3 Ca 0.38 -1.28 0.00 0.00 0.70 0.00 0.00 55.95 55.75 2crw s SER 3 Cb 0.04 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 2crw s SER 3 CO 0.18 -1.03 0.00 0.61 1.20 0.00 0.00 173.24 174.19 2crw n GLY 4 N -1.67 3.01 3.51 9.45 0.00 -1.26 -5.13 105.19 113.10 2crw n GLY 4 Ca -0.04 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 2crw n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2crw n SER 5 N 0.00 -1.18 -2.21 1.61 2.88 -1.26 -4.96 113.62 108.51 2crw n SER 5 Ca 0.00 0.04 -0.27 0.00 -1.33 0.00 0.00 58.87 57.31 2crw n SER 5 Cb 0.00 -1.30 0.02 0.00 -0.75 0.00 0.00 64.21 62.18 2crw n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2crw n SER 6 N -4.35 5.25 0.00 -3.46 3.41 -1.26 -5.03 113.62 108.18 2crw n SER 6 Ca 0.06 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.92 2crw n SER 6 Cb 0.54 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2crw n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crw n GLY 7 N -0.66 0.61 3.02 5.00 0.00 -1.26 -5.11 105.19 106.79 2crw n GLY 7 Ca 0.45 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 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 -4.81 0.50 -0.60 1.61 0.23 -1.26 -4.92 119.30 110.05 2crw s MET 8 Ca 0.00 -0.48 -0.05 0.00 -1.03 0.00 0.00 55.69 54.12 2crw s MET 8 Cb 0.00 -0.38 0.01 0.00 -1.53 0.00 0.00 34.83 32.93 2crw s MET 8 CO 0.00 0.09 0.40 0.41 -2.03 0.00 0.00 175.02 173.89 2crw n GLY 9 N 2.20 -0.79 3.52 3.16 0.00 -1.26 -4.72 105.19 107.30 2crw n GLY 9 Ca -0.18 0.36 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 2crw n GLY 9 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2crw n ASP 10 N -1.44 0.31 -4.62 1.61 5.68 -1.26 -4.83 116.55 112.00 2crw n ASP 10 Ca -0.18 1.11 -0.43 0.00 -0.50 0.00 0.00 54.79 54.79 2crw n ASP 10 Cb 0.44 -1.18 -0.03 0.00 -1.14 0.00 0.00 41.12 39.21 2crw n ASP 10 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 2crw s PRO 11 N -1.47 3.65 0.93 0.11 0.04 -1.26 -4.99 135.00 132.01 2crw s PRO 11 Ca 0.61 1.53 -0.11 0.00 0.04 0.00 0.00 61.00 63.06 2crw s PRO 11 Cb -0.72 -4.08 0.15 0.00 0.04 0.00 0.00 34.50 29.89 2crw s PRO 11 CO 0.59 -1.47 1.09 -1.12 0.04 0.00 0.00 177.00 176.12 2crw s SER 12 N 4.71 3.08 0.09 6.66 0.01 -1.26 -4.68 113.70 122.31 2crw s SER 12 Ca 0.73 1.58 -0.21 0.00 1.31 0.00 0.00 55.95 59.35 2crw s SER 12 Cb -0.23 -2.24 -0.07 0.00 0.21 0.00 0.00 66.02 63.69 2crw s SER 12 CO 0.31 -2.90 1.35 0.50 0.41 0.00 0.00 173.24 172.91 2crw h LYS 13 N -1.73 -0.20 -0.99 12.44 3.64 -1.95 -1.01 116.57 126.78 2crw h LYS 13 Ca -0.50 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.01 2crw h LYS 13 Cb 1.29 0.05 -0.14 0.00 -0.41 0.00 0.00 32.23 33.01 2crw h LYS 13 CO 0.52 -0.13 -0.48 1.04 -2.27 0.00 0.00 179.45 178.13 2crw n GLN 14 N -4.43 -0.32 -0.14 1.90 6.02 -1.26 -0.00 117.38 119.14 2crw n GLN 14 Ca -0.02 1.50 -0.04 0.00 -0.01 0.00 0.00 57.00 58.44 2crw n GLN 14 Cb 0.21 -2.22 0.02 0.00 1.02 0.00 0.00 30.24 29.27 2crw n GLN 14 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2crw h ASP 15 N 0.00 -0.46 -0.68 1.08 5.19 -1.64 -1.15 116.42 118.76 2crw h ASP 15 Ca 0.26 0.14 0.01 0.00 -0.62 0.00 0.00 57.03 56.82 2crw h ASP 15 Cb 0.50 0.29 -0.04 0.00 0.18 0.00 0.00 39.33 40.27 2crw h ASP 15 CO -0.95 -0.16 0.45 0.40 -3.12 0.00 0.00 179.24 175.85 2crw h ILE 16 N -0.02 1.16 -0.97 0.35 2.04 0.82 -2.05 117.51 118.83 2crw h ILE 16 Ca 0.21 -0.31 0.23 0.00 1.00 0.00 0.00 64.86 65.99 2crw h ILE 16 Cb 0.35 0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 36.52 2crw h ILE 16 CO -0.47 0.17 0.63 -0.07 0.00 0.00 0.00 178.15 178.41 2crw h LEU 17 N 0.90 0.45 0.00 1.44 3.38 0.76 -2.78 115.31 119.47 2crw h LEU 17 Ca 0.25 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 2crw h LEU 17 Cb -0.09 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2crw h LEU 17 CO -0.06 0.14 -0.00 0.74 0.09 0.00 0.00 178.44 179.35 2crw h THR 18 N 0.43 0.00 -0.87 0.22 2.02 -0.98 0.27 112.91 114.00 2crw h THR 18 Ca 0.53 -0.00 0.31 0.00 0.77 0.00 0.00 66.41 68.02 2crw h THR 18 Cb 1.30 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.62 2crw h THR 18 CO -0.24 0.00 0.55 -0.38 0.37 0.00 0.00 175.52 175.82 2crw n ILE 19 N -2.01 -0.18 -0.07 3.11 -0.00 -1.07 0.78 119.36 119.92 2crw n ILE 19 Ca -0.00 1.20 -0.09 0.00 -0.00 0.00 0.00 62.75 63.86 2crw n ILE 19 Cb 0.00 -1.97 -0.07 0.00 -0.00 0.00 0.00 39.64 37.60 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 -1.80 1.39 0.04 -1.42 -3.26 116.94 111.88 2crw h PHE 20 Ca 0.57 0.00 0.52 0.00 2.80 0.00 0.00 57.97 61.87 2crw h PHE 20 Cb 1.81 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.88 2crw h PHE 20 CO -0.00 0.63 1.39 0.36 -0.60 0.00 0.00 178.31 180.08 2crw n LYS 21 N -4.64 0.00 -0.00 1.51 2.85 0.23 0.14 118.16 118.25 2crw n LYS 21 Ca -0.10 1.07 -0.17 0.00 -1.05 0.00 0.00 58.31 58.07 2crw n LYS 21 Cb 0.32 -2.51 -0.13 0.00 -0.65 0.00 0.00 35.03 32.06 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 0.22 0.30 -1.58 2.43 -1.44 -3.17 114.38 111.13 2crw h ARG 22 Ca 0.86 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 59.71 2crw h ARG 22 Cb 3.63 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 33.29 2crw h ARG 22 CO -0.01 1.08 -0.14 -0.07 -1.51 0.00 0.00 179.97 179.32 2crw h LEU 23 N -0.50 -0.34 -0.97 3.80 4.07 0.12 -3.32 115.31 118.16 2crw h LEU 23 Ca -0.07 -0.01 0.23 0.00 0.08 0.00 0.00 57.88 58.11 2crw h LEU 23 Cb 1.29 0.09 -0.18 0.00 1.08 0.00 0.00 40.66 42.93 2crw h LEU 23 CO 0.09 0.12 -0.11 0.03 -1.08 0.00 0.00 178.44 177.48 2crw h ARG 24 N -1.10 0.01 -0.98 1.13 3.08 -0.52 0.71 114.38 116.72 2crw h ARG 24 Ca -0.04 -0.00 0.32 0.00 0.07 0.00 0.00 59.98 60.33 2crw h ARG 24 Cb 0.33 -0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.22 2crw h ARG 24 CO 0.07 0.00 0.46 1.03 -1.07 0.00 0.00 179.97 180.46 2crw h SER 25 N 0.01 0.31 -3.04 7.04 0.87 -1.64 -3.17 113.55 113.93 2crw h SER 25 Ca 0.53 0.21 -0.55 0.00 -1.23 0.00 0.00 61.79 60.75 2crw h SER 25 Cb 0.95 0.21 0.08 0.00 -0.44 0.00 0.00 62.40 63.20 2crw h SER 25 CO -0.96 -0.21 0.80 0.52 -0.53 0.00 0.00 176.83 176.46 2crw n VAL 26 N -5.15 0.93 0.96 2.23 0.31 0.25 -4.83 118.33 113.03 2crw n VAL 26 Ca 0.30 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2crw n VAL 26 Cb 0.96 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 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 2.22 0.49 0.00 5.55 -0.04 -1.26 -1.81 135.00 140.15 2crw n PRO 27 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2crw n PRO 27 Cb 0.35 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.47 0.00 -0.05 0.52 -2.24 -1.26 -4.70 114.28 106.07 2crw n THR 28 Ca 0.00 -0.35 -0.01 0.00 -2.27 0.00 0.00 64.05 61.42 2crw n THR 28 Cb 0.00 0.88 -0.13 0.00 -2.10 0.00 0.00 70.33 68.99 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 -1.00 1.17 0.00 3.42 3.02 -0.75 -4.31 115.26 116.80 2crw n ASN 29 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.60 2crw n ASN 29 Cb 0.00 1.25 0.31 0.00 -0.61 0.00 0.00 39.78 40.73 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 -2.37 0.76 -4.19 3.52 2.85 -0.94 -4.64 118.16 113.16 2crw n LYS 30 Ca -0.16 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 56.89 2crw n LYS 30 Cb 0.77 -1.21 -0.16 0.00 -0.65 0.00 0.00 35.03 33.77 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 0.63 -0.43 0.58 -7.23 -1.26 0.13 120.40 110.82 2crw s VAL 31 Ca 0.16 -0.16 -0.41 0.00 -1.81 0.00 0.00 61.98 59.75 2crw s VAL 31 Cb 0.07 -0.65 -0.17 0.00 0.56 0.00 0.00 36.38 36.20 2crw s VAL 31 CO 0.12 0.25 2.04 0.00 -0.31 0.00 0.00 175.10 177.20 2crw h PHE 33 N 9.25 0.00 0.14 0.00 3.04 -1.59 1.36 116.94 129.15 2crw h PHE 33 Ca -0.24 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.71 2crw h PHE 33 Cb 1.37 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.88 2crw h PHE 33 CO 0.91 0.00 -0.07 0.22 -2.02 0.00 0.00 178.31 177.35 2crw h ASP 34 N 0.00 -0.16 0.00 0.41 1.82 -1.86 -3.42 116.42 113.21 2crw h ASP 34 Ca 0.30 0.01 -0.44 0.00 -0.39 0.00 0.00 57.03 56.51 2crw h ASP 34 Cb 1.30 0.04 -0.07 0.00 0.68 0.00 0.00 39.33 41.29 2crw h ASP 34 CO -0.00 -0.08 -2.46 0.00 -1.61 0.00 0.00 179.24 175.09 2crw n GLY 36 N 1.44 0.30 3.68 0.00 0.00 0.47 -4.93 105.19 106.14 2crw n GLY 36 Ca -0.51 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.01 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 0.66 -1.77 4.61 0.00 -1.26 -3.93 120.51 118.83 2crw n ALA 37 Ca 0.00 0.33 -0.40 0.00 0.00 0.00 0.00 53.44 53.37 2crw n ALA 37 Cb 0.00 -2.41 -0.02 0.00 0.00 0.00 0.00 19.45 17.02 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 3.41 4.32 -0.57 0.00 3.01 -1.26 -0.15 119.74 128.50 2crw s LYS 38 Ca 0.92 2.03 -0.00 0.00 -1.01 0.00 0.00 55.97 57.91 2crw s LYS 38 Cb -0.77 -2.98 -0.00 0.00 -1.01 0.00 0.00 37.83 33.06 2crw s LYS 38 CO 0.52 -0.15 0.48 -1.71 0.51 0.00 0.00 175.35 175.00 2crw n ASN 39 N 0.67 -2.22 -4.58 2.83 5.15 0.12 -4.90 115.26 112.33 2crw n ASN 39 Ca 0.01 -0.30 -0.28 0.00 -0.60 0.00 0.00 54.58 53.41 2crw n ASN 39 Cb 0.44 -2.74 -0.06 0.00 -0.53 0.00 0.00 39.78 36.89 2crw n ASN 39 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2crw s PRO 40 N -4.56 2.50 0.25 1.20 0.04 -1.24 -4.80 135.00 128.39 2crw s PRO 40 Ca 0.02 -1.07 -0.08 0.00 0.04 0.00 0.00 61.00 59.91 2crw s PRO 40 Cb -0.00 -5.22 0.44 0.00 0.04 0.00 0.00 34.50 29.75 2crw s PRO 40 CO 0.35 -3.92 1.61 0.66 0.04 0.00 0.00 177.00 175.74 2crw h SER 41 N 9.90 -0.54 -4.10 6.66 4.64 -1.91 -3.40 113.55 124.79 2crw h SER 41 Ca 0.20 0.23 -0.50 0.00 -0.47 0.00 0.00 61.79 61.25 2crw h SER 41 Cb 0.95 0.43 0.07 0.00 -0.31 0.00 0.00 62.40 63.54 2crw h SER 41 CO 1.22 -0.24 0.42 0.26 -0.87 0.00 0.00 176.83 177.62 2crw s TRP 42 N -6.16 2.70 -0.20 4.77 0.52 -1.13 -2.47 118.94 116.97 2crw s TRP 42 Ca -0.14 1.55 -0.10 0.00 0.02 0.00 0.00 56.10 57.43 2crw s TRP 42 Cb 0.23 -3.25 0.07 0.00 -1.15 0.00 0.00 33.47 29.37 2crw s TRP 42 CO 0.76 -1.52 0.46 0.00 0.02 0.00 0.00 176.95 176.67 2crw s ALA 43 N -1.87 -1.23 -0.41 0.98 0.00 -1.02 -1.41 121.76 116.79 2crw s ALA 43 Ca 0.71 1.70 -0.20 0.00 0.00 0.00 0.00 51.96 54.17 2crw s ALA 43 Cb -0.23 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 21.81 2crw s ALA 43 CO 0.28 -0.39 0.62 0.45 0.00 0.00 0.00 175.76 176.73 2crw s SER 44 N 1.69 6.34 0.12 0.00 0.15 0.32 -2.22 113.70 120.10 2crw s SER 44 Ca -0.08 -0.22 -0.17 0.00 0.70 0.00 0.00 55.95 56.18 2crw s SER 44 Cb -0.09 -2.31 -0.03 0.00 -1.71 0.00 0.00 66.02 61.88 2crw s SER 44 CO -0.14 -0.71 1.63 0.40 1.20 0.00 0.00 173.24 175.62 2crw h ILE 45 N 5.81 1.21 -0.91 6.45 2.04 -1.78 0.12 117.51 130.45 2crw h ILE 45 Ca -0.26 -0.69 0.09 0.00 1.00 0.00 0.00 64.86 65.00 2crw h ILE 45 Cb 1.10 1.02 -0.12 0.00 -0.74 0.00 0.00 36.82 38.08 2crw h ILE 45 CO 0.87 0.24 -0.57 0.74 0.00 0.00 0.00 178.15 179.42 2crw h THR 46 N 0.40 0.00 -0.54 -0.27 2.02 -1.93 0.46 112.91 113.05 2crw h THR 46 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.29 2crw h THR 46 Cb 0.26 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 2crw h THR 46 CO -0.00 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.67 2crw n TYR 47 N -5.28 1.17 -4.21 3.16 4.02 -1.21 -4.51 117.16 110.30 2crw n TYR 47 Ca 0.02 -0.48 -0.31 0.00 -0.01 0.00 0.00 57.90 57.12 2crw n TYR 47 Cb 0.28 -0.18 -0.09 0.00 -0.02 0.00 0.00 39.34 39.33 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 1.06 -0.16 3.46 2.72 0.00 0.16 -4.49 105.19 107.94 2crw n GLY 48 Ca 0.21 0.15 -0.22 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 -4.07 1.37 -0.06 1.61 -7.23 -0.33 -0.63 120.40 111.06 2crw s VAL 49 Ca 0.14 -2.03 -0.05 0.00 -1.81 0.00 0.00 61.98 58.24 2crw s VAL 49 Cb -0.08 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 2crw s VAL 49 CO 0.93 -0.09 0.17 -0.36 -0.31 0.00 0.00 175.10 175.44 2crw s PHE 50 N -3.18 3.57 0.15 2.82 0.08 -1.26 -0.52 117.98 119.65 2crw s PHE 50 Ca 0.34 0.43 -0.00 0.00 0.12 0.00 0.00 56.93 57.82 2crw s PHE 50 Cb 0.08 -1.88 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 2crw s PHE 50 CO 0.15 0.69 0.05 -0.51 -0.10 0.00 0.00 175.22 175.49 2crw s LEU 51 N -1.56 1.81 0.09 -0.37 1.43 -0.50 -1.58 118.68 118.00 2crw s LEU 51 Ca 0.22 -1.22 0.06 0.00 -1.03 0.00 0.00 54.13 52.16 2crw s LEU 51 Cb -0.12 0.21 -0.04 0.00 0.03 0.00 0.00 46.19 46.27 2crw s LEU 51 CO 0.13 -0.70 -0.07 0.00 0.23 0.00 0.00 176.35 175.93 2crw n ILE 53 N 0.73 -0.04 0.00 0.00 0.13 -1.26 -0.30 119.36 118.62 2crw n ILE 53 Ca -0.13 1.21 0.00 0.00 -1.10 0.00 0.00 62.75 62.74 2crw n ILE 53 Cb 0.52 -2.02 0.00 0.00 -0.84 0.00 0.00 39.64 37.31 2crw n ILE 53 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 2crw n ASP 54 N -3.65 0.00 0.07 9.51 -0.08 -1.26 -3.55 116.55 117.59 2crw n ASP 54 Ca 0.34 0.68 -0.11 0.00 -1.51 0.00 0.00 54.79 54.19 2crw n ASP 54 Cb 1.52 -0.46 -0.05 0.00 2.34 0.00 0.00 41.12 44.47 2crw n ASP 54 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2crw n SER 56 N -5.36 -0.08 -0.22 0.00 3.41 0.59 0.16 113.62 112.13 2crw n SER 56 Ca -0.05 1.12 0.02 0.00 -0.26 0.00 0.00 58.87 59.70 2crw n SER 56 Cb 0.27 -0.41 0.12 0.00 -0.26 0.00 0.00 64.21 63.93 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 0.73 0.27 5.00 0.00 -1.47 -0.11 103.07 107.49 2crw h GLY 57 Ca 0.40 0.08 0.12 0.00 0.00 0.00 0.00 47.33 47.92 2crw h GLY 57 CO -0.62 -0.22 0.26 1.76 0.00 0.00 0.00 176.54 177.72 2crw h SER 58 N 0.13 0.24 -0.15 0.19 0.02 0.15 -1.74 113.55 112.39 2crw h SER 58 Ca 0.35 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.39 2crw h SER 58 Cb 0.58 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2crw h SER 58 CO -0.55 0.12 0.08 0.45 -1.14 0.00 0.00 176.83 175.78 2crw h HIS 59 N 0.42 0.22 -0.94 3.45 3.86 -1.03 -2.38 115.15 118.75 2crw h HIS 59 Ca 0.36 -0.01 0.26 0.00 -1.16 0.00 0.00 60.37 59.81 2crw h HIS 59 Cb 0.49 -0.07 -0.05 0.00 1.06 0.00 0.00 27.41 28.85 2crw h HIS 59 CO -0.17 0.25 0.66 0.00 0.86 0.00 0.00 177.93 179.52 2crw h ARG 60 N 0.12 0.12 0.05 2.45 3.08 -0.42 -0.76 114.38 119.03 2crw h ARG 60 Ca 0.05 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 2crw h ARG 60 Cb 0.11 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2crw h ARG 60 CO -0.01 0.08 -0.03 1.03 -1.07 0.00 0.00 179.97 179.98 2crw h SER 61 N 0.13 -0.06 -0.97 7.04 0.87 -0.94 -3.17 113.55 116.44 2crw h SER 61 Ca 0.47 -0.43 0.29 0.00 -1.23 0.00 0.00 61.79 60.89 2crw h SER 61 Cb 1.63 0.02 -0.15 0.00 -0.44 0.00 0.00 62.40 63.46 2crw h SER 61 CO -0.07 0.42 0.47 -0.07 -0.53 0.00 0.00 176.83 177.05 2crw h LEU 62 N -0.56 0.37 0.00 2.23 3.38 -0.95 -3.46 115.31 116.32 2crw h LEU 62 Ca -0.01 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2crw h LEU 62 Cb 0.49 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2crw h LEU 62 CO 0.01 -0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.02 2crw n GLY 63 N -1.32 4.03 0.67 0.83 0.00 -1.12 -4.63 105.19 103.65 2crw n GLY 63 Ca 0.29 -1.17 0.49 0.00 0.00 0.00 0.00 46.02 45.62 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 0.11 -0.31 1.61 -1.51 -1.78 1.48 116.25 115.84 2crw h VAL 64 Ca 0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 65.30 2crw h VAL 64 Cb 0.00 0.11 -0.00 0.00 -2.13 0.00 0.00 31.29 29.27 2crw h VAL 64 CO 0.00 0.00 -0.48 1.12 -1.23 0.00 0.00 177.57 176.98 2crw h HIS 65 N 0.00 1.03 -0.07 5.19 -0.00 -1.97 -2.87 115.15 116.46 2crw h HIS 65 Ca 0.84 -0.34 -0.16 0.00 -0.00 0.00 0.00 60.37 60.71 2crw h HIS 65 Cb 3.39 -0.20 0.01 0.00 -0.00 0.00 0.00 27.41 30.60 2crw h HIS 65 CO 0.00 1.15 -0.56 1.25 -0.00 0.00 0.00 177.93 179.77 2crw h LEU 66 N 0.66 0.62 -6.13 6.12 6.46 0.17 -3.44 115.31 119.77 2crw h LEU 66 Ca 0.03 -0.68 -0.02 0.00 -0.12 0.00 0.00 57.88 57.10 2crw h LEU 66 Cb 1.07 -0.18 -0.24 0.00 -0.73 0.00 0.00 40.66 40.58 2crw h LEU 66 CO 0.11 1.20 -0.39 -0.44 -0.62 0.00 0.00 178.44 178.30 2crw s SER 67 N -6.73 -0.87 0.09 1.25 0.01 -0.40 -4.97 113.70 102.07 2crw s SER 67 Ca -0.13 0.32 -0.30 0.00 1.31 0.00 0.00 55.95 57.16 2crw s SER 67 Cb 0.05 1.76 -0.06 0.00 0.21 0.00 0.00 66.02 67.98 2crw s SER 67 CO 0.83 -0.30 1.09 0.12 0.41 0.00 0.00 173.24 175.40 2crw s PHE 68 N 2.74 3.58 0.14 2.43 2.19 -1.09 -4.36 117.98 123.61 2crw s PHE 68 Ca 0.14 1.54 0.05 0.00 0.33 0.00 0.00 56.93 58.99 2crw s PHE 68 Cb -0.13 -3.27 -0.04 0.00 -1.31 0.00 0.00 43.02 38.27 2crw s PHE 68 CO -0.23 -0.62 0.08 0.42 1.83 0.00 0.00 175.22 176.70 2crw s ILE 69 N 0.53 4.27 -0.29 3.12 -1.09 -1.26 -2.76 121.20 123.72 2crw s ILE 69 Ca 0.53 -1.07 -0.15 0.00 -2.23 0.00 0.00 60.65 57.73 2crw s ILE 69 Cb -0.27 -3.13 0.15 0.00 -1.58 0.00 0.00 42.46 37.63 2crw s ILE 69 CO 0.31 -0.03 0.94 -0.13 -1.23 0.00 0.00 174.94 174.80 2crw s ARG 70 N -2.81 0.37 0.90 2.79 0.52 -0.94 -4.96 118.95 114.81 2crw s ARG 70 Ca 0.29 0.78 -0.15 0.00 -0.52 0.00 0.00 55.73 56.13 2crw s ARG 70 Cb -0.11 0.32 0.23 0.00 0.52 0.00 0.00 34.95 35.92 2crw s ARG 70 CO 0.21 -0.10 0.60 0.43 0.02 0.00 0.00 175.30 176.46 2crw n SER 71 N 4.48 -2.93 -0.00 0.23 7.64 -1.26 -2.44 113.62 119.34 2crw n SER 71 Ca -0.14 -0.67 -0.00 0.00 1.01 0.00 0.00 58.87 59.07 2crw n SER 71 Cb 0.54 -0.64 -0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2crw n SER 71 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2crw n THR 72 N -4.60 0.03 -0.05 0.44 -2.24 -1.03 -4.40 114.28 102.43 2crw n THR 72 Ca 0.09 -0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.73 2crw n THR 72 Cb 0.38 -1.30 -0.12 0.00 -2.10 0.00 0.00 70.33 67.19 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 0.02 0.09 -0.78 4.39 -1.96 -3.40 114.58 112.93 2crw h GLU 73 Ca -0.01 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 2crw h GLU 73 Cb 1.01 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 2crw h GLU 73 CO -0.01 0.82 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.55 2crw h LEU 74 N -0.76 -0.11 -9.01 1.33 3.38 -1.95 -3.43 115.31 104.76 2crw h LEU 74 Ca -0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 2crw h LEU 74 Cb 0.84 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2crw h LEU 74 CO 0.01 0.13 1.46 0.47 0.09 0.00 0.00 178.44 180.60 2crw n ASP 75 N -3.47 3.33 -0.00 -0.43 9.92 -1.26 -4.76 116.55 119.88 2crw n ASP 75 Ca -0.02 0.29 0.01 0.00 -0.53 0.00 0.00 54.79 54.54 2crw n ASP 75 Cb 0.05 -1.54 -0.01 0.00 -0.64 0.00 0.00 41.12 38.98 2crw n ASP 75 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2crw n SER 76 N 11.13 2.22 -1.68 -2.24 3.41 -1.26 -4.33 113.62 120.86 2crw n SER 76 Ca 0.29 -0.28 -0.04 0.00 -0.26 0.00 0.00 58.87 58.58 2crw n SER 76 Cb 0.43 1.03 -0.05 0.00 -0.26 0.00 0.00 64.21 65.36 2crw n SER 76 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2crw n ASN 77 N -1.27 5.11 -2.95 4.04 2.85 -1.26 -4.62 115.26 117.16 2crw n ASN 77 Ca 0.00 -2.38 -0.14 0.00 -0.11 0.00 0.00 54.58 51.95 2crw n ASN 77 Cb 0.03 -1.18 0.11 0.00 1.24 0.00 0.00 39.78 39.98 2crw n ASN 77 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 2crw n TRP 78 N 1.85 -3.56 -4.25 1.20 7.02 -1.26 -5.09 117.44 113.34 2crw n TRP 78 Ca 0.14 -0.48 -0.20 0.00 -1.02 0.00 0.00 57.50 55.94 2crw n TRP 78 Cb 0.61 -0.51 -0.12 0.00 -2.42 0.00 0.00 31.31 28.87 2crw n TRP 78 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2crw s SER 79 N -2.96 1.79 0.41 -0.99 0.15 -1.26 -4.65 113.70 106.19 2crw s SER 79 Ca 0.33 -0.57 0.16 0.00 0.70 0.00 0.00 55.95 56.57 2crw s SER 79 Cb -0.03 -0.08 1.04 0.00 -1.71 0.00 0.00 66.02 65.25 2crw s SER 79 CO 0.25 -0.02 1.87 -0.50 1.20 0.00 0.00 173.24 176.04 2crw h TRP 80 N 4.49 0.56 -0.08 3.44 -0.00 -1.95 0.23 115.95 122.65 2crw h TRP 80 Ca -0.41 0.02 -0.20 0.00 -0.00 0.00 0.00 58.89 58.30 2crw h TRP 80 Cb 1.19 -0.17 0.01 0.00 -0.00 0.00 0.00 29.16 30.18 2crw h TRP 80 CO 0.59 0.17 -0.74 0.35 -0.00 0.00 0.00 178.44 178.81 2crw h PHE 81 N 0.44 0.89 -0.02 0.49 3.57 -1.95 -3.09 116.94 117.28 2crw h PHE 81 Ca 0.44 -0.43 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 2crw h PHE 81 Cb 1.04 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 2crw h PHE 81 CO -0.00 1.25 -0.39 1.96 -2.23 0.00 0.00 178.31 178.90 2crw h GLN 82 N 0.29 0.04 0.69 1.11 4.20 -1.51 -2.54 115.11 117.38 2crw h GLN 82 Ca -0.07 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 2crw h GLN 82 Cb 1.40 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.18 2crw h GLN 82 CO 0.15 0.43 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.34 2crw h LEU 83 N 0.04 -0.78 -1.34 1.46 -0.00 -0.62 -3.09 115.31 110.98 2crw h LEU 83 Ca 0.00 0.03 0.13 0.00 -0.00 0.00 0.00 57.88 58.04 2crw h LEU 83 Cb 0.71 0.20 -0.06 0.00 -0.00 0.00 0.00 40.66 41.51 2crw h LEU 83 CO 0.05 -0.48 0.55 0.03 -0.00 0.00 0.00 178.44 178.59 2crw h ARG 84 N -1.08 0.66 -0.80 1.13 2.47 -1.57 -1.87 114.38 113.32 2crw h ARG 84 Ca -0.09 -0.04 0.19 0.00 -1.26 0.00 0.00 59.98 58.78 2crw h ARG 84 Cb 0.71 -0.15 -0.14 0.00 -1.65 0.00 0.00 29.97 28.74 2crw h ARG 84 CO 0.16 0.43 0.03 0.00 0.56 0.00 0.00 179.97 181.15 2crw h MET 86 N 0.11 1.06 0.51 0.00 2.86 -1.33 -2.15 114.93 115.98 2crw h MET 86 Ca 0.45 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.88 2crw h MET 86 Cb 0.82 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 32.31 2crw h MET 86 CO -0.70 0.86 -0.25 1.96 1.06 0.00 0.00 176.91 179.85 2crw h GLN 87 N 1.03 -0.66 -0.70 1.72 4.20 -0.24 -3.10 115.11 117.36 2crw h GLN 87 Ca 0.24 0.05 0.20 0.00 0.06 0.00 0.00 58.65 59.20 2crw h GLN 87 Cb 0.21 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 2crw h GLN 87 CO -0.02 -0.44 0.70 -0.39 -0.67 0.00 0.00 178.83 178.01 2crw h VAL 88 N -1.14 0.28 0.00 -0.54 -1.51 -0.36 -3.40 116.25 109.59 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 0.53 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 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 -1.59 1.20 0.00 5.19 0.00 -0.81 -5.00 105.19 104.17 2crw n GLY 89 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 1.75 0.32 -0.02 0.00 0.20 -4.73 105.19 107.70 2crw n GLY 90 Ca 0.00 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.66 -0.77 1.61 4.21 -1.78 -3.25 115.58 114.95 2crw h ASN 91 Ca 0.00 0.02 0.17 0.00 1.21 0.00 0.00 56.30 57.70 2crw h ASN 91 Cb 0.00 0.17 -0.14 0.00 -1.12 0.00 0.00 38.32 37.23 2crw h ASN 91 CO 0.00 -0.33 -0.11 0.00 -1.29 0.00 0.00 177.43 175.70 2crw h ALA 92 N -1.37 0.64 -0.92 -0.83 0.00 -1.92 -0.61 119.26 114.24 2crw h ALA 92 Ca -0.08 0.28 0.13 0.00 0.00 0.00 0.00 54.91 55.24 2crw h ALA 92 Cb 0.59 0.52 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 2crw h ALA 92 CO 0.13 -0.42 -0.39 0.43 0.00 0.00 0.00 179.25 179.00 2crw n SER 93 N -5.44 -0.66 -0.06 0.00 7.64 -1.23 -0.31 113.62 113.56 2crw n SER 93 Ca 0.12 1.61 -0.13 0.00 1.01 0.00 0.00 58.87 61.48 2crw n SER 93 Cb 0.44 -0.35 -0.07 0.00 -1.01 0.00 0.00 64.21 63.23 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 1.15 0.25 -0.94 -0.43 0.00 -1.21 0.91 119.26 118.99 2crw h ALA 94 Ca 0.29 -0.34 0.37 0.00 0.00 0.00 0.00 54.91 55.24 2crw h ALA 94 Cb 0.53 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.12 2crw h ALA 94 CO -0.91 0.16 0.54 0.45 0.00 0.00 0.00 179.25 179.49 2crw n SER 95 N -4.50 0.27 -0.14 0.00 2.88 0.57 -1.31 113.62 111.39 2crw n SER 95 Ca -0.06 1.36 -0.27 0.00 -1.33 0.00 0.00 58.87 58.58 2crw n SER 95 Cb 0.38 -0.67 -0.10 0.00 -0.75 0.00 0.00 64.21 63.07 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 -4.81 1.95 -0.30 -3.46 7.64 -0.88 -4.29 113.62 109.46 2crw n SER 96 Ca 0.33 0.22 -0.01 0.00 1.01 0.00 0.00 58.87 60.42 2crw n SER 96 Cb 1.17 -0.71 0.03 0.00 -1.01 0.00 0.00 64.21 63.69 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 -3.99 0.02 0.21 1.43 -0.00 0.31 -0.04 117.46 115.40 2crw n PHE 97 Ca -0.52 0.97 -0.10 0.00 -0.00 0.00 0.00 57.45 57.80 2crw n PHE 97 Cb 0.91 -0.79 -0.05 0.00 -0.00 0.00 0.00 39.48 39.54 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 -0.72 -0.57 -5.13 0.04 -1.53 -2.68 116.94 106.35 2crw h PHE 98 Ca 0.27 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 61.12 2crw h PHE 98 Cb 0.47 0.26 -0.10 0.00 2.20 0.00 0.00 35.95 38.77 2crw h PHE 98 CO -0.69 -0.39 -0.44 1.25 -0.60 0.00 0.00 178.31 177.44 2crw h HIS 99 N -0.62 -1.30 -1.00 -0.55 2.76 -1.15 0.26 115.15 113.55 2crw h HIS 99 Ca -0.05 0.08 0.37 0.00 -2.20 0.00 0.00 60.37 58.57 2crw h HIS 99 Cb 0.51 0.65 -0.16 0.00 1.55 0.00 0.00 27.41 29.95 2crw h HIS 99 CO -0.04 -0.43 0.53 1.96 -1.30 0.00 0.00 177.93 178.65 2crw h GLN 100 N -0.23 0.15 -1.22 5.26 4.20 -0.41 1.42 115.11 124.28 2crw h GLN 100 Ca 0.17 -0.01 -0.25 0.00 0.06 0.00 0.00 58.65 58.62 2crw h GLN 100 Cb 0.56 -0.03 -0.13 0.00 0.30 0.00 0.00 27.48 28.18 2crw h GLN 100 CO -0.68 0.10 0.32 0.72 -0.67 0.00 0.00 178.83 178.62 2crw n HIS 101 N -5.17 1.34 -4.01 2.96 8.25 0.87 -4.85 115.22 114.61 2crw n HIS 101 Ca 0.34 -1.39 -0.30 0.00 -0.26 0.00 0.00 57.72 56.12 2crw n HIS 101 Cb 1.12 -0.69 -0.08 0.00 1.12 0.00 0.00 29.99 31.46 2crw n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2crw n GLY 102 N 0.06 -0.20 2.68 -1.41 0.00 0.49 -4.87 105.19 101.93 2crw n GLY 102 Ca 0.26 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 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 1.03 5.73 -0.30 0.00 1.04 -1.26 -3.87 113.70 116.08 2crw s SER 104 Ca 0.14 -3.78 -0.08 0.00 0.48 0.00 0.00 55.95 52.71 2crw s SER 104 Cb -0.21 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.07 2crw s SER 104 CO -0.11 -0.15 0.11 -0.89 0.98 0.00 0.00 173.24 173.17 2crw s THR 105 N -1.41 4.23 -0.24 2.02 2.01 -1.26 -4.98 115.64 116.01 2crw s THR 105 Ca 0.27 -0.56 -0.02 0.00 0.31 0.00 0.00 61.69 61.69 2crw s THR 105 Cb -0.06 -3.16 0.07 0.00 0.01 0.00 0.00 72.50 69.36 2crw s THR 105 CO -0.14 0.09 2.38 0.59 -0.69 0.00 0.00 174.62 176.85 2crw n ASN 106 N 4.92 6.08 -3.02 3.53 3.02 -1.26 -4.64 115.26 123.89 2crw n ASN 106 Ca -0.14 -2.88 -0.14 0.00 -0.03 0.00 0.00 54.58 51.38 2crw n ASN 106 Cb 0.49 -1.16 -0.03 0.00 -0.61 0.00 0.00 39.78 38.47 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 0.98 1.95 0.00 6.41 2.03 -1.26 -5.05 116.55 121.61 2crw n ASP 107 Ca 0.29 -2.09 0.00 0.00 0.52 0.00 0.00 54.79 53.51 2crw n ASP 107 Cb 0.60 0.33 0.00 0.00 -0.72 0.00 0.00 41.12 41.33 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 -0.55 0.00 1.15 5.18 -1.04 -1.26 -4.08 114.28 113.68 2crw n THR 108 Ca -0.07 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.07 2crw n THR 108 Cb 0.31 -0.63 0.33 0.00 -1.82 0.00 0.00 70.33 68.52 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 -1.95 0.82 -0.00 8.00 2.85 -1.26 -3.49 115.26 120.22 2crw n ASN 109 Ca 0.00 -0.64 -0.01 0.00 -0.11 0.00 0.00 54.58 53.82 2crw n ASN 109 Cb 0.40 0.18 -0.00 0.00 1.24 0.00 0.00 39.78 41.59 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 -0.98 1.98 -0.11 5.20 0.00 -1.26 -4.31 120.51 121.03 2crw n ALA 110 Ca 0.10 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 2crw n ALA 110 Cb 0.34 0.47 -0.03 0.00 0.00 0.00 0.00 19.45 20.23 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 0.53 0.00 0.00 3.64 -1.75 -2.49 116.57 116.50 2crw h LYS 111 Ca -0.02 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2crw h LYS 111 Cb 1.03 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2crw h LYS 111 CO -0.00 0.63 0.00 0.66 -2.27 0.00 0.00 179.45 178.47 2crw n TYR 112 N -4.60 0.66 -0.99 1.91 4.01 -1.23 -3.11 117.16 113.82 2crw n TYR 112 Ca -0.02 0.19 0.03 0.00 -0.16 0.00 0.00 57.90 57.94 2crw n TYR 112 Cb 0.23 -0.82 0.34 0.00 -0.31 0.00 0.00 39.34 38.79 2crw n TYR 112 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2crw n ASN 113 N -2.04 5.04 -4.85 7.72 3.02 -1.02 -4.58 115.26 118.55 2crw n ASN 113 Ca 0.06 -3.07 -0.21 0.00 -0.03 0.00 0.00 54.58 51.33 2crw n ASN 113 Cb 0.40 -0.68 -0.04 0.00 -0.61 0.00 0.00 39.78 38.86 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 -1.13 5.23 0.10 6.41 1.04 -0.97 -4.94 113.70 119.44 2crw s SER 114 Ca 0.52 -0.53 -0.29 0.00 0.48 0.00 0.00 55.95 56.14 2crw s SER 114 Cb 0.41 -0.93 -0.12 0.00 0.10 0.00 0.00 66.02 65.48 2crw s SER 114 CO 0.13 -0.37 1.64 -0.09 0.98 0.00 0.00 173.24 175.54 2crw h ARG 115 N 1.25 -0.56 -0.76 4.02 9.65 -1.91 -1.95 114.38 124.13 2crw h ARG 115 Ca -0.44 0.04 0.15 0.00 -1.10 0.00 0.00 59.98 58.62 2crw h ARG 115 Cb 1.25 0.13 -0.14 0.00 -1.39 0.00 0.00 29.97 29.82 2crw h ARG 115 CO 0.59 -0.37 -0.21 0.00 2.80 0.00 0.00 179.97 182.77 2crw h ALA 116 N 0.03 0.45 0.04 2.80 0.00 -1.91 0.18 119.26 120.85 2crw h ALA 116 Ca -0.01 0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.20 2crw h ALA 116 Cb 0.53 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2crw h ALA 116 CO -0.05 -0.44 -0.09 0.00 0.00 0.00 0.00 179.25 178.67 2crw h ALA 117 N 1.70 -0.13 0.19 0.00 0.00 -1.69 -2.85 119.26 116.47 2crw h ALA 117 Ca 0.36 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.27 2crw h ALA 117 Cb 0.56 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2crw h ALA 117 CO -0.79 -0.60 -0.50 1.96 0.00 0.00 0.00 179.25 179.32 2crw h GLN 118 N -0.18 -0.74 -1.02 0.00 4.20 -0.25 -1.22 115.11 115.91 2crw h GLN 118 Ca 0.02 0.05 0.40 0.00 0.06 0.00 0.00 58.65 59.18 2crw h GLN 118 Cb 0.20 0.17 -0.17 0.00 0.30 0.00 0.00 27.48 27.98 2crw h GLN 118 CO -0.07 -0.49 0.56 -0.07 -0.67 0.00 0.00 178.83 178.09 2crw h LEU 119 N -0.77 0.36 0.94 1.46 3.38 -1.06 0.73 115.31 120.36 2crw h LEU 119 Ca -0.02 0.24 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 2crw h LEU 119 Cb 0.75 0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.74 2crw h LEU 119 CO -0.23 -0.35 -0.45 0.22 0.09 0.00 0.00 178.44 177.71 2crw h TYR 120 N 0.08 -1.17 -0.40 1.13 5.03 -1.00 -1.96 116.97 118.70 2crw h TYR 120 Ca 0.82 -0.03 0.04 0.00 2.58 0.00 0.00 58.73 62.14 2crw h TYR 120 Cb 2.13 0.39 -0.05 0.00 1.55 0.00 0.00 36.73 40.74 2crw h TYR 120 CO -0.01 -0.73 -0.28 0.00 -1.32 0.00 0.00 178.16 175.83 2crw h ARG 121 N -1.32 -0.05 -0.68 1.82 3.08 -0.45 0.84 114.38 117.60 2crw h ARG 121 Ca -0.13 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.07 2crw h ARG 121 Cb 0.96 0.01 -0.12 0.00 0.08 0.00 0.00 29.97 30.90 2crw h ARG 121 CO 0.21 -0.04 -0.06 0.93 -1.07 0.00 0.00 179.97 179.94 2crw h GLU 122 N -0.06 0.06 0.18 0.04 5.08 -1.53 -1.85 114.58 116.51 2crw h GLU 122 Ca 0.06 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2crw h GLU 122 Cb 0.22 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 2crw h GLU 122 CO -0.40 0.04 -0.51 -0.22 -1.00 0.00 0.00 179.01 176.92 2crw h LYS 123 N 0.07 -0.74 -0.99 2.33 3.64 -0.11 -2.01 116.57 118.75 2crw h LYS 123 Ca 0.35 0.05 0.24 0.00 -1.27 0.00 0.00 60.65 60.02 2crw h LYS 123 Cb 0.58 0.17 -0.19 0.00 -0.41 0.00 0.00 32.23 32.39 2crw h LYS 123 CO -0.64 -0.50 -0.10 0.82 -2.27 0.00 0.00 179.45 176.77 2crw h ILE 124 N -0.77 0.02 -0.77 2.00 1.08 -0.15 0.90 117.51 119.81 2crw h ILE 124 Ca -0.02 -0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.55 2crw h ILE 124 Cb 0.76 0.01 -0.07 0.00 -3.07 0.00 0.00 36.82 34.44 2crw h ILE 124 CO -0.25 0.00 0.41 0.50 -0.69 0.00 0.00 178.15 178.13 2crw h LYS 125 N 0.00 0.66 0.86 2.37 3.64 -1.07 0.24 116.57 123.28 2crw h LYS 125 Ca 0.54 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.84 2crw h LYS 125 Cb 1.00 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.68 2crw h LYS 125 CO -0.97 0.44 -0.42 1.03 -2.27 0.00 0.00 179.45 177.26 2crw h SER 126 N 0.68 -0.98 0.10 4.20 0.87 0.11 -2.86 113.55 115.67 2crw h SER 126 Ca 0.38 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.99 2crw h SER 126 Cb 0.40 0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.58 2crw h SER 126 CO -0.27 -0.65 -0.26 -0.07 -0.53 0.00 0.00 176.83 175.04 2crw h LEU 127 N -1.25 -0.76 -0.96 2.23 3.38 -1.09 -2.33 115.31 114.52 2crw h LEU 127 Ca -0.12 0.09 0.25 0.00 0.09 0.00 0.00 57.88 58.19 2crw h LEU 127 Cb 0.90 0.29 -0.18 0.00 0.09 0.00 0.00 40.66 41.76 2crw h LEU 127 CO 0.19 -0.35 -0.04 0.00 0.09 0.00 0.00 178.44 178.34 2crw n ALA 128 N -2.63 0.44 -0.10 1.53 0.00 0.82 0.55 120.51 121.12 2crw n ALA 128 Ca -0.06 1.04 -0.06 0.00 0.00 0.00 0.00 53.44 54.36 2crw n ALA 128 Cb 0.29 -0.73 0.01 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.30 -0.58 0.00 0.87 -1.17 0.24 113.55 112.61 2crw h SER 129 Ca 0.56 0.10 0.09 0.00 -1.23 0.00 0.00 61.79 61.31 2crw h SER 129 Cb 1.10 0.20 -0.11 0.00 -0.44 0.00 0.00 62.40 63.16 2crw h SER 129 CO -0.92 -0.10 -0.44 1.56 -0.53 0.00 0.00 176.83 176.39 2crw h GLN 130 N 0.01 -0.22 -0.17 2.24 1.08 0.13 0.60 115.11 118.78 2crw h GLN 130 Ca 0.17 0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 57.28 2crw h GLN 130 Cb 0.25 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 2crw h GLN 130 CO -0.35 -0.15 -0.35 0.00 -0.95 0.00 0.00 178.83 177.04 2crw h ALA 131 N 0.61 1.08 -1.24 3.87 0.00 -1.33 -2.99 119.26 119.25 2crw h ALA 131 Ca 0.18 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2crw h ALA 131 Cb 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2crw h ALA 131 CO -0.69 0.58 0.00 2.41 0.00 0.00 0.00 179.25 181.55 2crw n THR 132 N -4.06 0.00 -0.33 0.00 -1.04 0.81 -3.87 114.28 105.78 2crw n THR 132 Ca -0.01 0.95 -0.04 0.00 -2.04 0.00 0.00 64.05 62.91 2crw n THR 132 Cb 0.45 -1.80 -0.01 0.00 -1.82 0.00 0.00 70.33 67.15 2crw n THR 132 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2crw n ARG 133 N -1.38 -0.26 -1.68 -2.82 1.74 0.18 -1.27 116.66 111.17 2crw n ARG 133 Ca 0.00 1.28 -0.36 0.00 -0.77 0.00 0.00 57.85 58.00 2crw n ARG 133 Cb 0.00 -1.89 -0.03 0.00 -1.02 0.00 0.00 32.46 29.52 2crw n ARG 133 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2crw s LYS 134 N -5.65 2.21 -1.06 5.56 2.47 -1.13 -2.71 119.74 119.43 2crw s LYS 134 Ca -0.11 1.17 -0.02 0.00 -1.56 0.00 0.00 55.97 55.45 2crw s LYS 134 Cb 0.14 -4.55 -0.02 0.00 -1.46 0.00 0.00 37.83 31.94 2crw s LYS 134 CO 0.57 -3.19 0.90 0.72 0.16 0.00 0.00 175.35 174.51 2crw n HIS 135 N 15.24 -2.11 0.00 4.03 8.25 -1.25 -4.63 115.22 134.75 2crw n HIS 135 Ca 0.33 0.85 0.00 0.00 -0.26 0.00 0.00 57.72 58.64 2crw n HIS 135 Cb 0.54 -4.58 0.00 0.00 1.12 0.00 0.00 29.99 27.07 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 -1.16 -3.30 1.94 -1.41 0.00 -0.40 -1.54 105.19 99.32 2crw n GLY 136 Ca -0.20 0.55 -0.08 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.70 2.46 -3.33 2.61 -2.24 -1.26 -4.61 114.28 106.20 2crw n THR 137 Ca 0.00 -1.13 0.02 0.00 -2.27 0.00 0.00 64.05 60.68 2crw n THR 137 Cb 0.00 -1.83 -0.03 0.00 -2.10 0.00 0.00 70.33 66.37 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 2.09 -0.65 -0.78 3.42 -1.08 -0.59 -5.09 116.67 113.99 2crw s ASP 138 Ca 0.46 0.72 -0.23 0.00 -0.52 0.00 0.00 52.55 52.98 2crw s ASP 138 Cb 0.22 1.67 -0.17 0.00 -1.46 0.00 0.00 42.92 43.18 2crw s ASP 138 CO 0.00 -0.12 2.41 0.18 0.52 0.00 0.00 175.17 178.15 2crw n LEU 139 N 5.14 1.07 -0.30 -1.34 4.77 -1.26 -4.67 117.00 120.41 2crw n LEU 139 Ca -0.08 -0.80 0.26 0.00 -0.03 0.00 0.00 56.01 55.37 2crw n LEU 139 Cb 0.52 -1.31 0.46 0.00 -2.33 0.00 0.00 43.42 40.77 2crw n LEU 139 CO -0.05 -1.83 0.83 -2.67 -1.33 0.00 0.00 177.39 172.33 2crw n TRP 140 N 14.15 0.62 -1.24 -1.77 2.14 -1.26 -4.52 117.44 125.56 2crw n TRP 140 Ca 0.51 0.63 -0.47 0.00 2.07 0.00 0.00 57.50 60.24 2crw n TRP 140 Cb 0.35 -1.04 -0.06 0.00 -0.81 0.00 0.00 31.31 29.75 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 -4.29 -0.25 -3.26 5.67 4.77 -1.26 -4.67 117.00 113.70 2crw n LEU 141 Ca 0.28 0.97 -0.35 0.00 -0.03 0.00 0.00 56.01 56.88 2crw n LEU 141 Cb 1.04 -0.78 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 2crw n LEU 141 CO 0.08 -1.81 -0.09 0.47 -1.33 0.00 0.00 177.39 174.72 2crw n ASP 142 N 1.35 -1.23 -4.62 -1.43 8.00 -1.26 -4.57 116.55 112.79 2crw n ASP 142 Ca 0.16 0.78 -0.59 0.00 0.71 0.00 0.00 54.79 55.86 2crw n ASP 142 Cb 0.10 -0.70 -0.08 0.00 -0.02 0.00 0.00 41.12 40.42 2crw n ASP 142 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2crw n SER 143 N 1.55 1.96 -4.98 -2.24 2.88 -1.26 -4.94 113.62 106.60 2crw n SER 143 Ca 0.12 0.95 -0.20 0.00 -1.33 0.00 0.00 58.87 58.41 2crw n SER 143 Cb 0.21 -1.09 0.02 0.00 -0.75 0.00 0.00 64.21 62.61 2crw n SER 143 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2crw s SER 144 N 4.35 5.22 -0.86 -3.46 0.15 -1.26 -5.07 113.70 112.76 2crw s SER 144 Ca 1.04 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 56.95 2crw s SER 144 Cb -1.16 -0.15 0.24 0.00 -1.71 0.00 0.00 66.02 63.24 2crw s SER 144 CO 0.66 -1.00 0.90 0.61 1.20 0.00 0.00 173.24 175.61 2crw n GLY 145 N -1.93 4.49 3.58 9.45 0.00 -1.26 -5.07 105.19 114.45 2crw n GLY 145 Ca 0.09 -2.65 -0.30 0.00 0.00 0.00 0.00 46.02 43.15 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 -1.93 -1.54 0.37 1.61 0.04 -1.26 -5.08 135.00 127.21 2crw s PRO 146 Ca 0.31 -0.18 0.08 0.00 0.04 0.00 0.00 61.00 61.25 2crw s PRO 146 Cb 0.01 -1.57 -0.03 0.00 0.04 0.00 0.00 34.50 32.95 2crw s PRO 146 CO -0.06 -3.90 0.26 -1.12 0.04 0.00 0.00 177.00 172.22 2crw s SER 147 N -3.99 4.93 -0.42 6.66 0.01 -1.26 -5.10 113.70 114.53 2crw s SER 147 Ca 0.72 -0.72 -0.14 0.00 1.31 0.00 0.00 55.95 57.12 2crw s SER 147 Cb -0.08 -0.72 0.05 0.00 0.21 0.00 0.00 66.02 65.48 2crw s SER 147 CO 0.56 -0.45 0.31 -0.55 0.41 0.00 0.00 173.24 173.52 2crw s SER 148 N -3.98 5.99 0.00 2.44 0.15 -1.26 -5.30 113.70 111.74 2crw s SER 148 Ca 0.42 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 55.94 2crw s SER 148 Cb -0.03 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 2crw s SER 148 CO 0.25 -0.51 0.38 0.61 1.20 0.00 0.00 173.24 175.17