#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crw h SER 2 N 0.00 -0.05 -2.77 1.61 4.64 -1.98 -3.42 113.55 111.58 2crw h SER 2 Ca 0.00 0.16 -0.59 0.00 -0.47 0.00 0.00 61.79 60.89 2crw h SER 2 Cb 0.00 0.23 0.17 0.00 -0.31 0.00 0.00 62.40 62.49 2crw h SER 2 CO 0.00 -0.07 -0.55 -0.24 -0.87 0.00 0.00 176.83 175.09 2crw n SER 3 N -5.20 -1.59 -1.12 4.97 2.88 -1.26 -4.32 113.62 107.99 2crw n SER 3 Ca 0.15 0.72 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 2crw n SER 3 Cb 0.49 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 2crw n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2crw n GLY 4 N 1.93 0.25 3.64 0.46 0.00 -1.26 -5.06 105.19 105.16 2crw n GLY 4 Ca 0.11 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.22 6.20 0.10 1.61 0.15 -1.26 -5.08 113.70 113.21 2crw s SER 5 Ca 0.00 0.22 0.09 0.00 0.70 0.00 0.00 55.95 56.96 2crw s SER 5 Cb 0.00 -2.16 -0.04 0.00 -1.71 0.00 0.00 66.02 62.12 2crw s SER 5 CO 0.00 -0.03 -0.20 -0.94 1.20 0.00 0.00 173.24 173.27 2crw s SER 6 N 1.26 3.76 -0.96 5.45 1.04 -1.26 -4.71 113.70 118.29 2crw s SER 6 Ca 0.11 -0.57 -0.04 0.00 0.48 0.00 0.00 55.95 55.94 2crw s SER 6 Cb -0.15 -0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.48 2crw s SER 6 CO 0.07 0.19 0.82 0.61 0.98 0.00 0.00 173.24 175.92 2crw n GLY 7 N 0.97 -0.15 3.54 7.32 0.00 -1.26 -4.93 105.19 110.67 2crw n GLY 7 Ca -0.16 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2crw n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2crw s MET 8 N -5.58 3.41 0.55 1.61 -2.45 -1.26 -4.99 119.30 110.59 2crw s MET 8 Ca 0.26 -0.86 -0.00 0.00 -1.25 0.00 0.00 55.69 53.84 2crw s MET 8 Cb -0.11 -4.82 0.11 0.00 1.25 0.00 0.00 34.83 31.26 2crw s MET 8 CO 0.54 -2.11 0.75 0.41 1.05 0.00 0.00 175.02 175.66 2crw n GLY 9 N 6.10 0.64 3.86 2.11 0.00 -1.26 -5.09 105.19 111.56 2crw n GLY 9 Ca 0.19 -2.01 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 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 -4.04 6.69 0.62 1.61 1.01 -1.26 -4.94 116.67 116.36 2crw s ASP 10 Ca 0.49 1.18 -0.16 0.00 0.71 0.00 0.00 52.55 54.77 2crw s ASP 10 Cb -0.03 -2.33 -0.02 0.00 1.01 0.00 0.00 42.92 41.55 2crw s ASP 10 CO 0.33 -0.23 1.12 -2.16 0.21 0.00 0.00 175.17 174.44 2crw s PRO 11 N -3.16 2.99 0.57 8.23 0.04 -1.26 -5.05 135.00 137.36 2crw s PRO 11 Ca 0.52 1.46 -0.02 0.00 0.04 0.00 0.00 61.00 63.01 2crw s PRO 11 Cb -0.10 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.50 2crw s PRO 11 CO 0.21 -1.11 0.83 -1.12 0.04 0.00 0.00 177.00 175.85 2crw s SER 12 N -2.31 5.31 0.13 6.66 0.01 -1.26 -4.78 113.70 117.46 2crw s SER 12 Ca 0.69 0.26 -0.28 0.00 1.31 0.00 0.00 55.95 57.93 2crw s SER 12 Cb -0.22 -1.17 -0.05 0.00 0.21 0.00 0.00 66.02 64.80 2crw s SER 12 CO 0.37 -1.16 1.61 0.50 0.41 0.00 0.00 173.24 174.96 2crw h LYS 13 N -0.06 -0.46 -0.32 12.44 3.64 -1.98 -1.40 116.57 128.43 2crw h LYS 13 Ca -0.44 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.05 2crw h LYS 13 Cb 1.29 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 33.13 2crw h LYS 13 CO 0.56 -0.31 -0.26 1.96 -2.27 0.00 0.00 179.45 179.13 2crw h GLN 14 N -0.48 -0.22 -0.55 1.90 4.20 -1.95 0.53 115.11 118.54 2crw h GLN 14 Ca 0.07 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.90 2crw h GLN 14 Cb 0.58 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.32 2crw h GLN 14 CO -0.30 -0.15 -0.02 -0.44 -0.67 0.00 0.00 178.83 177.25 2crw h ASP 15 N -0.23 -0.28 -0.62 1.46 5.19 -1.83 -0.91 116.42 119.21 2crw h ASP 15 Ca 0.16 0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.70 2crw h ASP 15 Cb 0.48 0.25 -0.03 0.00 0.18 0.00 0.00 39.33 40.22 2crw h ASP 15 CO -0.46 -0.11 0.35 0.40 -3.12 0.00 0.00 179.24 176.30 2crw h ILE 16 N 0.10 1.20 -1.04 0.35 2.04 -0.16 -2.44 117.51 117.56 2crw h ILE 16 Ca 0.28 -0.49 0.26 0.00 1.00 0.00 0.00 64.86 65.92 2crw h ILE 16 Cb 0.44 0.39 -0.11 0.00 -0.74 0.00 0.00 36.82 36.80 2crw h ILE 16 CO -0.48 0.21 0.65 -0.07 0.00 0.00 0.00 178.15 178.46 2crw h LEU 17 N 0.85 0.52 0.20 1.44 3.38 0.49 -2.50 115.31 119.69 2crw h LEU 17 Ca 0.22 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 2crw h LEU 17 Cb 0.03 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2crw h LEU 17 CO -0.04 0.08 -0.10 0.74 0.09 0.00 0.00 178.44 179.22 2crw h THR 18 N 0.45 0.00 -0.79 0.22 2.02 -1.14 0.22 112.91 113.89 2crw h THR 18 Ca 0.62 -0.06 0.30 0.00 0.77 0.00 0.00 66.41 68.04 2crw h THR 18 Cb 1.44 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.75 2crw h THR 18 CO -0.36 0.00 0.47 -0.38 0.37 0.00 0.00 175.52 175.62 2crw n ILE 19 N -2.90 -0.22 -0.07 3.11 -0.00 -0.96 0.46 119.36 118.78 2crw n ILE 19 Ca -0.03 1.28 -0.08 0.00 -0.00 0.00 0.00 62.75 63.91 2crw n ILE 19 Cb 0.11 -2.09 -0.06 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 -1.00 1.39 0.04 -1.42 -3.32 116.94 112.64 2crw h PHE 20 Ca 0.58 0.00 0.37 0.00 2.80 0.00 0.00 57.97 61.71 2crw h PHE 20 Cb 1.69 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 39.68 2crw h PHE 20 CO -0.01 0.53 0.53 1.57 -0.60 0.00 0.00 178.31 180.33 2crw h LYS 21 N -1.00 0.15 -0.89 1.51 2.10 0.34 1.24 116.57 120.02 2crw h LYS 21 Ca -0.04 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 2crw h LYS 21 Cb 0.57 -0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 31.83 2crw h LYS 21 CO -0.02 0.10 0.51 -0.09 -2.00 0.00 0.00 179.45 177.95 2crw h ARG 22 N 0.16 1.22 0.00 0.07 9.65 -1.17 -2.64 114.38 121.66 2crw h ARG 22 Ca 0.78 -0.12 -0.01 0.00 -1.10 0.00 0.00 59.98 59.53 2crw h ARG 22 Cb 1.92 -0.25 -0.00 0.00 -1.39 0.00 0.00 29.97 30.25 2crw h ARG 22 CO -0.70 0.87 -0.18 -0.07 2.80 0.00 0.00 179.97 182.69 2crw h LEU 23 N 1.23 0.00 -0.75 3.80 3.38 0.12 -3.37 115.31 119.72 2crw h LEU 23 Ca 0.32 -0.06 0.17 0.00 0.09 0.00 0.00 57.88 58.40 2crw h LEU 23 Cb -0.02 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.59 2crw h LEU 23 CO -0.06 0.62 -0.13 0.54 0.09 0.00 0.00 178.44 179.51 2crw n ARG 24 N -4.72 -0.06 -0.34 1.13 1.74 0.15 0.10 116.66 114.67 2crw n ARG 24 Ca -0.03 1.15 0.11 0.00 -0.77 0.00 0.00 57.85 58.31 2crw n ARG 24 Cb 0.11 -1.75 0.23 0.00 -1.02 0.00 0.00 32.46 30.03 2crw n ARG 24 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2crw n SER 25 N -5.16 -0.20 -4.72 0.55 3.41 -1.00 -3.35 113.62 103.15 2crw n SER 25 Ca 0.14 1.65 -0.43 0.00 -0.26 0.00 0.00 58.87 59.97 2crw n SER 25 Cb 0.44 -0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 63.81 2crw n SER 25 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2crw n VAL 26 N -5.49 1.19 0.98 -3.33 0.31 0.29 -4.84 118.33 107.44 2crw n VAL 26 Ca 0.20 -0.30 0.05 0.00 -0.01 0.00 0.00 64.34 64.28 2crw n VAL 26 Cb 0.65 -1.75 0.28 0.00 -0.91 0.00 0.00 33.84 32.11 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 1.79 0.49 0.00 5.55 -0.04 -1.26 -1.76 135.00 139.77 2crw n PRO 27 Ca 0.09 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.57 2crw n PRO 27 Cb 0.35 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.80 0.00 -0.01 0.52 -2.24 -1.26 -4.59 114.28 105.89 2crw n THR 28 Ca 0.07 -0.44 0.02 0.00 -2.27 0.00 0.00 64.05 61.43 2crw n THR 28 Cb 0.03 1.07 -0.05 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.31 3.37 -0.16 3.42 3.02 -0.72 -4.37 115.26 119.50 2crw n ASN 29 Ca 0.03 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.60 2crw n ASN 29 Cb 0.13 1.14 0.09 0.00 -0.61 0.00 0.00 39.78 40.53 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 -1.89 1.20 -3.78 3.52 2.85 -0.95 -4.66 118.16 114.45 2crw n LYS 30 Ca -0.04 -0.31 -0.25 0.00 -1.05 0.00 0.00 58.31 56.66 2crw n LYS 30 Cb 0.34 -1.10 -0.17 0.00 -0.65 0.00 0.00 35.03 33.45 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 -1.89 0.48 -0.44 0.58 -7.23 -1.26 -1.20 120.40 109.45 2crw s VAL 31 Ca 0.09 -0.10 -0.40 0.00 -1.81 0.00 0.00 61.98 59.76 2crw s VAL 31 Cb 0.04 -0.72 -0.17 0.00 0.56 0.00 0.00 36.38 36.09 2crw s VAL 31 CO 0.06 0.15 1.56 0.00 -0.31 0.00 0.00 175.10 176.56 2crw h PHE 33 N 5.56 0.49 0.01 0.00 3.04 -1.07 1.76 116.94 126.73 2crw h PHE 33 Ca -0.28 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.68 2crw h PHE 33 Cb 1.21 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.58 2crw h PHE 33 CO 0.67 0.06 -0.01 0.22 -2.02 0.00 0.00 178.31 177.22 2crw h ASP 34 N 0.30 -0.02 0.00 0.41 1.82 -1.85 -3.41 116.42 113.67 2crw h ASP 34 Ca 0.56 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 56.84 2crw h ASP 34 Cb 1.61 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 41.57 2crw h ASP 34 CO -0.21 -0.01 -2.25 0.00 -1.61 0.00 0.00 179.24 175.15 2crw n GLY 36 N 1.87 0.81 3.61 0.00 0.00 0.60 -4.89 105.19 107.18 2crw n GLY 36 Ca -0.42 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.23 -1.79 4.61 0.00 -1.26 -3.66 120.51 117.18 2crw n ALA 37 Ca 0.00 0.50 -0.41 0.00 0.00 0.00 0.00 53.44 53.53 2crw n ALA 37 Cb 0.00 -2.05 -0.02 0.00 0.00 0.00 0.00 19.45 17.37 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 1.21 4.40 -1.01 0.00 1.02 -1.26 -1.01 119.74 123.09 2crw s LYS 38 Ca 0.90 2.15 -0.01 0.00 0.02 0.00 0.00 55.97 59.03 2crw s LYS 38 Cb -1.06 -3.10 -0.01 0.00 -0.52 0.00 0.00 37.83 33.15 2crw s LYS 38 CO 0.54 -0.14 0.85 0.09 -0.92 0.00 0.00 175.35 175.77 2crw n ASN 39 N 1.05 -2.68 -4.55 2.83 3.02 -0.34 -4.86 115.26 109.73 2crw n ASN 39 Ca 0.01 -0.55 -0.29 0.00 -0.03 0.00 0.00 54.58 53.72 2crw n ASN 39 Cb 0.42 -4.50 -0.06 0.00 -0.61 0.00 0.00 39.78 35.04 2crw n ASN 39 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2crw n PRO 40 N -3.58 1.61 -0.16 3.52 -0.04 -1.22 -4.82 135.00 130.32 2crw n PRO 40 Ca -0.22 -2.46 -0.08 0.00 -0.04 0.00 0.00 63.50 60.71 2crw n PRO 40 Cb 0.64 -3.71 -0.06 0.00 -0.04 0.00 0.00 33.50 30.33 2crw n PRO 40 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2crw h SER 41 N 9.61 -1.21 -3.02 3.54 0.87 -1.90 -3.39 113.55 118.06 2crw h SER 41 Ca 0.23 0.17 -0.58 0.00 -1.23 0.00 0.00 61.79 60.38 2crw h SER 41 Cb 0.93 0.52 0.14 0.00 -0.44 0.00 0.00 62.40 63.55 2crw h SER 41 CO 1.25 -0.20 0.00 0.79 -0.53 0.00 0.00 176.83 178.15 2crw n TRP 42 N -4.34 0.63 -3.70 2.24 7.02 -1.16 -3.27 117.44 114.85 2crw n TRP 42 Ca -0.01 0.53 -0.12 0.00 -1.02 0.00 0.00 57.50 56.89 2crw n TRP 42 Cb 0.18 -2.14 -0.10 0.00 -2.42 0.00 0.00 31.31 26.83 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 -1.40 -1.14 -0.64 6.99 0.00 -1.23 -0.77 121.76 123.57 2crw s ALA 43 Ca 0.66 1.45 -0.20 0.00 0.00 0.00 0.00 51.96 53.87 2crw s ALA 43 Cb -0.53 -0.86 0.09 0.00 0.00 0.00 0.00 23.12 21.83 2crw s ALA 43 CO 0.55 -0.25 0.82 0.45 0.00 0.00 0.00 175.76 177.34 2crw s SER 44 N 0.80 6.21 0.17 0.00 0.15 0.52 -3.00 113.70 118.55 2crw s SER 44 Ca -0.05 -1.32 -0.18 0.00 0.70 0.00 0.00 55.95 55.10 2crw s SER 44 Cb -0.05 -2.35 0.10 0.00 -1.71 0.00 0.00 66.02 62.01 2crw s SER 44 CO -0.06 -1.23 1.64 0.40 1.20 0.00 0.00 173.24 175.19 2crw h ILE 45 N 5.92 0.47 -0.96 6.45 2.04 -1.70 1.37 117.51 131.11 2crw h ILE 45 Ca -0.26 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.68 2crw h ILE 45 Cb 1.08 0.47 -0.11 0.00 -0.74 0.00 0.00 36.82 37.52 2crw h ILE 45 CO 1.13 0.00 -0.56 0.41 0.00 0.00 0.00 178.15 179.12 2crw n THR 46 N -5.36 -0.65 1.00 -0.27 -1.04 -1.26 0.62 114.28 107.31 2crw n THR 46 Ca 0.02 2.36 0.11 0.00 -2.04 0.00 0.00 64.05 64.50 2crw n THR 46 Cb 0.27 -2.92 0.32 0.00 -1.82 0.00 0.00 70.33 66.18 2crw n THR 46 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2crw n TYR 47 N -5.17 0.28 -4.22 -1.42 4.02 -0.95 -4.46 117.16 105.23 2crw n TYR 47 Ca 0.02 -0.14 -0.36 0.00 -0.01 0.00 0.00 57.90 57.41 2crw n TYR 47 Cb 0.25 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.54 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 1.23 -0.43 3.66 2.72 0.00 0.46 -4.52 105.19 108.31 2crw n GLY 48 Ca 0.17 0.13 -0.24 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 -3.34 2.66 -0.17 1.61 -7.23 -0.76 -2.01 120.40 111.15 2crw s VAL 49 Ca 0.69 -1.89 -0.09 0.00 -1.81 0.00 0.00 61.98 58.89 2crw s VAL 49 Cb -0.38 -2.86 -0.05 0.00 0.56 0.00 0.00 36.38 33.66 2crw s VAL 49 CO 0.93 -0.17 0.12 -0.36 -0.31 0.00 0.00 175.10 175.31 2crw s PHE 50 N -2.51 3.44 0.24 2.82 0.08 -1.26 -0.36 117.98 120.43 2crw s PHE 50 Ca 0.36 0.35 0.05 0.00 0.12 0.00 0.00 56.93 57.81 2crw s PHE 50 Cb 0.00 -2.08 -0.05 0.00 -0.57 0.00 0.00 43.02 40.32 2crw s PHE 50 CO 0.20 0.40 -0.04 -0.51 -0.10 0.00 0.00 175.22 175.18 2crw s LEU 51 N -0.05 2.34 0.12 -0.37 1.43 0.05 -0.43 118.68 121.76 2crw s LEU 51 Ca 0.09 -1.18 0.06 0.00 -1.03 0.00 0.00 54.13 52.07 2crw s LEU 51 Cb -0.11 -0.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.64 2crw s LEU 51 CO -0.00 -0.42 -0.00 0.00 0.23 0.00 0.00 176.35 176.15 2crw n ILE 53 N 0.36 -0.25 0.00 0.00 0.13 -1.26 0.11 119.36 118.45 2crw n ILE 53 Ca -0.11 1.36 0.00 0.00 -1.10 0.00 0.00 62.75 62.90 2crw n ILE 53 Cb 0.53 -1.92 0.00 0.00 -0.84 0.00 0.00 39.64 37.40 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 -4.89 0.00 0.19 9.51 2.03 -1.26 -2.68 116.55 119.44 2crw n ASP 54 Ca 0.12 0.91 -0.16 0.00 0.52 0.00 0.00 54.79 56.18 2crw n ASP 54 Cb 0.37 -0.41 -0.09 0.00 -0.72 0.00 0.00 41.12 40.27 2crw n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2crw n SER 56 N -5.51 0.18 -0.12 0.00 3.41 0.29 0.16 113.62 112.04 2crw n SER 56 Ca -0.09 1.04 -0.04 0.00 -0.26 0.00 0.00 58.87 59.51 2crw n SER 56 Cb 0.42 -0.51 0.03 0.00 -0.26 0.00 0.00 64.21 63.89 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 0.45 0.24 5.00 0.00 -1.08 -1.77 103.07 105.91 2crw h GLY 57 Ca 0.60 0.01 0.07 0.00 0.00 0.00 0.00 47.33 48.01 2crw h GLY 57 CO -0.41 -0.07 -0.10 1.76 0.00 0.00 0.00 176.54 177.72 2crw h SER 58 N 0.16 -0.38 -0.86 0.19 0.02 0.14 -1.14 113.55 111.69 2crw h SER 58 Ca 0.20 0.11 0.06 0.00 -0.84 0.00 0.00 61.79 61.32 2crw h SER 58 Cb 0.26 0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.98 2crw h SER 58 CO -0.29 -0.14 0.54 0.45 -1.14 0.00 0.00 176.83 176.26 2crw h HIS 59 N -0.02 1.01 -0.91 3.45 3.86 -1.46 -1.53 115.15 119.55 2crw h HIS 59 Ca 0.18 0.03 0.12 0.00 -1.16 0.00 0.00 60.37 59.54 2crw h HIS 59 Cb 0.29 -0.33 -0.07 0.00 1.06 0.00 0.00 27.41 28.36 2crw h HIS 59 CO -0.34 0.53 0.58 0.00 0.86 0.00 0.00 177.93 179.56 2crw h ARG 60 N 1.00 0.78 -0.42 2.45 3.08 -0.36 -1.23 114.38 119.68 2crw h ARG 60 Ca 0.37 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.25 2crw h ARG 60 Cb 0.13 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2crw h ARG 60 CO -0.16 0.51 -0.21 1.03 -1.07 0.00 0.00 179.97 180.07 2crw h SER 61 N 0.80 0.91 -0.65 7.04 0.87 -0.85 -3.24 113.55 118.44 2crw h SER 61 Ca 0.44 -0.41 0.10 0.00 -1.23 0.00 0.00 61.79 60.69 2crw h SER 61 Cb 0.58 -0.25 -0.11 0.00 -0.44 0.00 0.00 62.40 62.18 2crw h SER 61 CO -0.21 1.12 -0.43 -0.07 -0.53 0.00 0.00 176.83 176.71 2crw h LEU 62 N 0.70 -1.50 0.00 2.23 3.38 -0.88 -3.47 115.31 115.77 2crw h LEU 62 Ca 0.09 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2crw h LEU 62 Cb 0.78 0.70 0.00 0.00 0.09 0.00 0.00 40.66 42.22 2crw h LEU 62 CO 0.06 -0.32 0.00 0.61 0.09 0.00 0.00 178.44 178.88 2crw n GLY 63 N -1.41 3.97 0.59 0.83 0.00 -1.19 -4.75 105.19 103.23 2crw n GLY 63 Ca 0.03 -0.55 0.46 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.07 0.00 1.61 0.24 -1.26 0.21 118.33 119.07 2crw n VAL 64 Ca 0.00 1.45 -0.18 0.00 -2.04 0.00 0.00 64.34 63.58 2crw n VAL 64 Cb 0.00 -2.41 -0.10 0.00 -1.47 0.00 0.00 33.84 29.86 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 0.70 -0.05 6.34 -0.00 -1.97 -3.08 115.15 117.09 2crw h HIS 65 Ca 0.85 -0.37 -0.01 0.00 -0.00 0.00 0.00 60.37 60.84 2crw h HIS 65 Cb 3.24 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 30.56 2crw h HIS 65 CO -0.00 1.18 -0.01 -0.07 -0.00 0.00 0.00 177.93 179.04 2crw h LEU 66 N 0.02 0.09 -6.21 6.12 3.38 0.23 -3.43 115.31 115.50 2crw h LEU 66 Ca -0.08 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 2crw h LEU 66 Cb 1.35 -0.02 -0.25 0.00 0.09 0.00 0.00 40.66 41.82 2crw h LEU 66 CO 0.13 0.41 -0.43 -0.44 0.09 0.00 0.00 178.44 178.21 2crw s SER 67 N -5.64 -0.50 -0.06 -0.43 0.01 0.01 -4.88 113.70 102.20 2crw s SER 67 Ca -0.15 0.20 -0.27 0.00 1.31 0.00 0.00 55.95 57.04 2crw s SER 67 Cb 0.04 1.56 -0.03 0.00 0.21 0.00 0.00 66.02 67.80 2crw s SER 67 CO 0.69 -0.31 0.86 0.12 0.41 0.00 0.00 173.24 175.01 2crw s PHE 68 N 2.68 3.58 0.13 2.43 2.19 -1.16 -4.41 117.98 123.41 2crw s PHE 68 Ca 0.13 1.46 0.05 0.00 0.33 0.00 0.00 56.93 58.90 2crw s PHE 68 Cb -0.13 -3.00 -0.04 0.00 -1.31 0.00 0.00 43.02 38.54 2crw s PHE 68 CO -0.23 -0.04 0.08 0.42 1.83 0.00 0.00 175.22 177.28 2crw s ILE 69 N 1.24 4.35 -0.30 3.12 -1.09 -1.26 -2.15 121.20 125.10 2crw s ILE 69 Ca 0.44 -1.01 -0.14 0.00 -2.23 0.00 0.00 60.65 57.72 2crw s ILE 69 Cb -0.19 -3.15 0.14 0.00 -1.58 0.00 0.00 42.46 37.68 2crw s ILE 69 CO 0.21 -0.00 0.84 -0.13 -1.23 0.00 0.00 174.94 174.63 2crw s ARG 70 N -2.75 0.45 0.75 2.79 0.52 -1.16 -4.99 118.95 114.55 2crw s ARG 70 Ca 0.29 1.01 -0.15 0.00 -0.52 0.00 0.00 55.73 56.36 2crw s ARG 70 Cb -0.11 0.49 0.01 0.00 0.52 0.00 0.00 34.95 35.86 2crw s ARG 70 CO 0.22 -0.14 0.87 0.43 0.02 0.00 0.00 175.30 176.71 2crw n SER 71 N 4.86 0.05 -0.09 0.23 7.64 -1.26 -3.55 113.62 121.49 2crw n SER 71 Ca -0.13 0.62 -0.12 0.00 1.01 0.00 0.00 58.87 60.25 2crw n SER 71 Cb 0.53 -1.37 -0.09 0.00 -1.01 0.00 0.00 64.21 62.27 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 -2.66 1.07 0.06 0.44 -2.24 -1.20 -3.89 114.28 105.86 2crw n THR 72 Ca 0.12 -0.44 -0.21 0.00 -2.27 0.00 0.00 64.05 61.25 2crw n THR 72 Cb 0.50 -1.10 -0.15 0.00 -2.10 0.00 0.00 70.33 67.48 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 0.00 0.34 0.00 -0.78 5.08 -1.93 -3.42 114.58 113.87 2crw h GLU 73 Ca -0.42 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 57.37 2crw h GLU 73 Cb 1.68 0.21 0.00 0.00 0.50 0.00 0.00 28.75 31.15 2crw h GLU 73 CO -0.05 1.27 0.00 1.28 -1.00 0.00 0.00 179.01 180.51 2crw n LEU 74 N -4.00 0.15 -4.68 1.33 4.77 -1.26 -4.83 117.00 108.48 2crw n LEU 74 Ca -0.17 0.43 -0.42 0.00 -0.03 0.00 0.00 56.01 55.82 2crw n LEU 74 Cb 0.90 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 2crw n LEU 74 CO 0.49 -0.47 1.51 -0.67 -1.33 0.00 0.00 177.39 176.93 2crw n ASP 75 N -1.97 4.12 -1.30 -1.43 -0.08 -1.25 -4.88 116.55 109.76 2crw n ASP 75 Ca 0.00 0.97 -0.00 0.00 -1.51 0.00 0.00 54.79 54.25 2crw n ASP 75 Cb 0.00 -1.55 0.11 0.00 2.34 0.00 0.00 41.12 42.02 2crw n ASP 75 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2crw n SER 76 N 6.08 2.03 -2.10 1.67 7.64 -1.26 -4.33 113.62 123.35 2crw n SER 76 Ca 0.18 -3.18 -0.22 0.00 1.01 0.00 0.00 58.87 56.66 2crw n SER 76 Cb 0.38 -0.43 0.02 0.00 -1.01 0.00 0.00 64.21 63.17 2crw n SER 76 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2crw n ASN 77 N -0.56 4.66 -4.78 6.43 2.85 -1.26 -4.18 115.26 118.42 2crw n ASN 77 Ca 0.18 -3.62 -0.32 0.00 -0.11 0.00 0.00 54.58 50.72 2crw n ASN 77 Cb 0.87 -0.36 0.05 0.00 1.24 0.00 0.00 39.78 41.59 2crw n ASN 77 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 2crw s TRP 78 N -3.61 2.77 -0.07 1.20 0.52 -1.26 -5.03 118.94 113.45 2crw s TRP 78 Ca 0.49 1.52 -0.11 0.00 0.02 0.00 0.00 56.10 58.02 2crw s TRP 78 Cb 0.40 -3.05 -0.05 0.00 -1.15 0.00 0.00 33.47 29.62 2crw s TRP 78 CO 0.02 -1.52 0.28 -1.12 0.02 0.00 0.00 176.95 174.63 2crw s SER 79 N -3.05 6.59 0.27 2.95 0.01 -1.26 -4.38 113.70 114.83 2crw s SER 79 Ca 0.63 0.70 -0.07 0.00 1.31 0.00 0.00 55.95 58.52 2crw s SER 79 Cb -0.18 -2.17 0.48 0.00 0.21 0.00 0.00 66.02 64.37 2crw s SER 79 CO 0.47 0.33 1.58 -0.50 0.41 0.00 0.00 173.24 175.53 2crw h TRP 80 N 5.06 -0.36 -0.20 2.43 4.06 -1.96 0.40 115.95 125.38 2crw h TRP 80 Ca -0.52 0.08 -0.03 0.00 2.06 0.00 0.00 58.89 60.48 2crw h TRP 80 Cb 1.22 0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 29.67 2crw h TRP 80 CO 0.72 -0.39 0.01 0.35 -3.56 0.00 0.00 178.44 175.57 2crw h PHE 81 N 0.01 0.37 0.00 0.49 3.57 -1.94 -2.42 116.94 117.02 2crw h PHE 81 Ca 0.47 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.91 2crw h PHE 81 Cb 0.79 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.43 2crw h PHE 81 CO -0.64 0.52 0.00 1.96 -2.23 0.00 0.00 178.31 177.91 2crw h GLN 82 N 0.11 0.00 0.06 1.11 4.20 -0.96 -2.63 115.11 117.01 2crw h GLN 82 Ca 0.06 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 2crw h GLN 82 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2crw h GLN 82 CO 0.01 0.00 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.07 2crw h LEU 83 N 0.00 -0.07 -1.62 1.46 3.38 0.08 -3.33 115.31 115.21 2crw h LEU 83 Ca 0.00 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.25 2crw h LEU 83 Cb 0.08 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 2crw h LEU 83 CO 0.00 0.32 0.70 0.03 0.09 0.00 0.00 178.44 179.58 2crw h ARG 84 N -0.83 0.24 -0.95 1.13 2.47 -1.35 0.22 114.38 115.31 2crw h ARG 84 Ca -0.01 -0.01 0.16 0.00 -1.26 0.00 0.00 59.98 58.86 2crw h ARG 84 Cb 0.06 -0.05 -0.08 0.00 -1.65 0.00 0.00 29.97 28.24 2crw h ARG 84 CO 0.01 0.16 0.60 0.00 0.56 0.00 0.00 179.97 181.31 2crw h MET 86 N 0.73 0.38 0.56 0.00 2.86 -0.68 -2.47 114.93 116.31 2crw h MET 86 Ca 0.50 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.98 2crw h MET 86 Cb 0.80 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.44 2crw h MET 86 CO -0.27 0.60 -0.27 1.96 1.06 0.00 0.00 176.91 180.00 2crw h GLN 87 N 0.13 -0.72 0.00 1.72 4.20 -1.24 -2.66 115.11 116.54 2crw h GLN 87 Ca 0.06 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2crw h GLN 87 Cb 0.45 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.39 2crw h GLN 87 CO 0.02 -0.46 0.36 -0.39 -0.67 0.00 0.00 178.83 177.68 2crw h VAL 88 N -1.18 0.00 0.00 -0.54 -1.51 -0.36 -3.37 116.25 109.29 2crw h VAL 88 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 2crw h VAL 88 Cb 0.59 0.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.08 2crw h VAL 88 CO 0.13 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.08 2crw n GLY 89 N -1.27 0.68 0.00 5.19 0.00 -0.93 -4.96 105.19 103.89 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 1.88 0.04 -0.02 0.00 -0.85 -4.67 105.19 106.57 2crw n GLY 90 Ca 0.00 -2.17 -0.01 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.08 -0.94 1.61 4.21 -1.77 -3.33 115.58 115.28 2crw h ASN 91 Ca 0.00 0.00 0.16 0.00 1.21 0.00 0.00 56.30 57.67 2crw h ASN 91 Cb 0.00 0.02 -0.16 0.00 -1.12 0.00 0.00 38.32 37.06 2crw h ASN 91 CO 0.00 0.01 -0.33 0.00 -1.29 0.00 0.00 177.43 175.82 2crw h ALA 92 N -1.82 0.29 -0.72 -0.83 0.00 -1.92 -0.00 119.26 114.26 2crw h ALA 92 Ca -0.01 0.30 0.09 0.00 0.00 0.00 0.00 54.91 55.29 2crw h ALA 92 Cb 0.07 0.89 -0.10 0.00 0.00 0.00 0.00 17.79 18.65 2crw h ALA 92 CO 0.02 -0.55 -0.35 0.43 0.00 0.00 0.00 179.25 178.80 2crw n SER 93 N -5.51 -0.61 -0.03 0.00 7.64 -1.26 0.03 113.62 113.88 2crw n SER 93 Ca 0.11 1.27 -0.13 0.00 1.01 0.00 0.00 58.87 61.13 2crw n SER 93 Cb 0.42 -0.23 -0.09 0.00 -1.01 0.00 0.00 64.21 63.30 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 0.70 0.08 -1.12 -0.43 0.00 -1.14 1.00 119.26 118.34 2crw h ALA 94 Ca 0.19 -0.26 0.41 0.00 0.00 0.00 0.00 54.91 55.25 2crw h ALA 94 Cb 0.37 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.98 2crw h ALA 94 CO -0.70 -0.14 0.66 1.03 0.00 0.00 0.00 179.25 180.10 2crw h SER 95 N -0.30 0.33 0.03 0.00 0.87 0.52 0.10 113.55 115.10 2crw h SER 95 Ca 0.01 0.21 -0.30 0.00 -1.23 0.00 0.00 61.79 60.48 2crw h SER 95 Cb 0.53 0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.65 2crw h SER 95 CO 0.01 -0.30 -1.66 -1.20 -0.53 0.00 0.00 176.83 173.15 2crw n SER 96 N -5.03 1.95 -0.20 6.23 7.64 -0.14 -4.02 113.62 120.05 2crw n SER 96 Ca 0.37 0.33 -0.06 0.00 1.01 0.00 0.00 58.87 60.52 2crw n SER 96 Cb 1.30 -0.90 -0.00 0.00 -1.01 0.00 0.00 64.21 63.59 2crw n SER 96 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2crw h PHE 97 N -0.68 -1.00 -0.28 1.43 3.04 0.84 0.22 116.94 120.52 2crw h PHE 97 Ca -0.42 0.07 0.07 0.00 3.98 0.00 0.00 57.97 61.67 2crw h PHE 97 Cb 1.56 0.52 -0.07 0.00 2.56 0.00 0.00 35.95 40.52 2crw h PHE 97 CO 0.07 -0.39 -0.22 0.74 -2.02 0.00 0.00 178.31 176.48 2crw h PHE 98 N -0.18 -0.59 0.28 0.41 -1.00 -1.09 -2.51 116.94 112.26 2crw h PHE 98 Ca 0.22 0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.04 2crw h PHE 98 Cb 0.55 0.30 -0.02 0.00 3.61 0.00 0.00 35.95 40.40 2crw h PHE 98 CO -0.65 -0.30 -0.26 1.25 -1.61 0.00 0.00 178.31 176.74 2crw h HIS 99 N -0.21 -0.68 -0.69 -0.55 2.76 -1.30 -2.11 115.15 112.36 2crw h HIS 99 Ca 0.15 0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.48 2crw h HIS 99 Cb 0.44 0.26 -0.13 0.00 1.55 0.00 0.00 27.41 29.53 2crw h HIS 99 CO -0.40 -0.38 -0.11 1.04 -1.30 0.00 0.00 177.93 176.79 2crw n GLN 100 N -5.38 -0.06 0.16 5.26 1.13 0.64 -0.21 117.38 118.92 2crw n GLN 100 Ca -0.09 1.07 -0.10 0.00 -1.94 0.00 0.00 57.00 55.94 2crw n GLN 100 Cb 0.29 -1.63 -0.06 0.00 0.11 0.00 0.00 30.24 28.95 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 -1.34 -3.49 115.15 113.74 2crw h HIS 101 Ca 0.36 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 2crw h HIS 101 Cb 0.63 0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.73 2crw h HIS 101 CO -0.47 -0.14 0.00 0.41 -1.30 0.00 0.00 177.93 176.43 2crw n GLY 102 N 0.31 0.49 2.90 5.26 0.00 0.71 -5.12 105.19 109.74 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 0.79 3.08 0.00 0.00 0.01 -1.26 -4.55 113.70 111.77 2crw s SER 104 Ca 0.13 -3.44 0.20 0.00 1.31 0.00 0.00 55.95 54.15 2crw s SER 104 Cb -0.20 -1.02 0.42 0.00 0.21 0.00 0.00 66.02 65.43 2crw s SER 104 CO -0.10 -0.13 1.35 1.07 0.41 0.00 0.00 173.24 175.85 2crw n THR 105 N 2.44 0.62 -4.44 1.44 5.66 -1.26 -4.96 114.28 113.78 2crw n THR 105 Ca 0.25 -0.81 -0.38 0.00 -3.05 0.00 0.00 64.05 60.05 2crw n THR 105 Cb 0.42 0.85 -0.08 0.00 -1.55 0.00 0.00 70.33 69.97 2crw n THR 105 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2crw n ASN 106 N 1.31 -1.08 -2.04 1.09 2.85 -1.26 -4.89 115.26 111.24 2crw n ASN 106 Ca 0.18 -1.23 -0.07 0.00 -0.11 0.00 0.00 54.58 53.35 2crw n ASN 106 Cb 0.56 -1.73 -0.02 0.00 1.24 0.00 0.00 39.78 39.82 2crw n ASN 106 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2crw n ASP 107 N -2.62 0.61 0.00 1.20 9.92 -1.26 -5.05 116.55 119.35 2crw n ASP 107 Ca -0.03 -1.67 0.00 0.00 -0.53 0.00 0.00 54.79 52.56 2crw n ASP 107 Cb 0.53 0.38 0.00 0.00 -0.64 0.00 0.00 41.12 41.40 2crw n ASP 107 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2crw n THR 108 N -0.25 0.00 1.48 -3.53 -1.04 -1.26 -4.19 114.28 105.49 2crw n THR 108 Ca -0.00 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.15 2crw n THR 108 Cb 0.19 -0.43 0.60 0.00 -1.82 0.00 0.00 70.33 68.87 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 -1.90 0.71 0.00 8.00 2.85 -1.26 -3.27 115.26 120.39 2crw n ASN 109 Ca 0.00 -0.88 0.00 0.00 -0.11 0.00 0.00 54.58 53.59 2crw n ASN 109 Cb 0.32 -0.02 0.00 0.00 1.24 0.00 0.00 39.78 41.32 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 -0.67 2.82 -0.27 5.20 0.00 -1.26 -4.33 120.51 122.00 2crw n ALA 110 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.55 2crw n ALA 110 Cb 0.28 0.41 0.06 0.00 0.00 0.00 0.00 19.45 20.20 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 1.01 0.01 0.00 3.64 -1.74 -2.18 116.57 117.31 2crw h LYS 111 Ca 0.00 -0.10 -0.22 0.00 -1.27 0.00 0.00 60.65 59.06 2crw h LYS 111 Cb 0.81 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 2crw h LYS 111 CO 0.00 0.72 -1.06 1.88 -2.27 0.00 0.00 179.45 178.72 2crw h TYR 112 N 1.02 0.04 -0.12 1.91 0.05 -1.79 -3.20 116.97 114.88 2crw h TYR 112 Ca 0.27 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.01 2crw h TYR 112 Cb -0.02 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.71 2crw h TYR 112 CO -0.01 1.03 0.00 0.09 -1.05 0.00 0.00 178.16 178.22 2crw n ASN 113 N -3.35 1.72 -3.66 3.88 3.02 -1.02 -4.41 115.26 111.44 2crw n ASN 113 Ca -0.02 -2.15 -0.11 0.00 -0.03 0.00 0.00 54.58 52.27 2crw n ASN 113 Cb 0.95 -0.45 0.03 0.00 -0.61 0.00 0.00 39.78 39.71 2crw n ASN 113 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2crw n SER 114 N 0.09 1.31 -0.04 6.41 3.41 -0.85 -4.94 113.62 119.00 2crw n SER 114 Ca 0.06 -1.90 -0.13 0.00 -0.26 0.00 0.00 58.87 56.64 2crw n SER 114 Cb 0.38 -0.21 -0.11 0.00 -0.26 0.00 0.00 64.21 64.00 2crw n SER 114 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2crw h ARG 115 N 0.00 -0.02 -0.65 4.33 9.65 -1.88 -3.18 114.38 122.63 2crw h ARG 115 Ca -0.16 0.00 0.14 0.00 -1.10 0.00 0.00 59.98 58.86 2crw h ARG 115 Cb 0.71 0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 29.18 2crw h ARG 115 CO 0.23 0.73 -0.07 0.00 2.80 0.00 0.00 179.97 183.67 2crw h ALA 116 N 0.10 0.57 -0.07 2.80 0.00 -1.94 -1.05 119.26 119.66 2crw h ALA 116 Ca -0.00 0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2crw h ALA 116 Cb 0.76 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2crw h ALA 116 CO 0.00 -0.41 -0.17 0.00 0.00 0.00 0.00 179.25 178.67 2crw h ALA 117 N 1.62 -0.15 0.01 0.00 0.00 -1.73 -2.96 119.26 116.06 2crw h ALA 117 Ca 0.33 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.29 2crw h ALA 117 Cb 0.54 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 2crw h ALA 117 CO -0.61 -0.64 -0.49 1.96 0.00 0.00 0.00 179.25 179.47 2crw h GLN 118 N -0.24 -0.60 -1.07 0.00 1.08 -1.19 -0.43 115.11 112.66 2crw h GLN 118 Ca 0.08 0.04 0.41 0.00 -1.45 0.00 0.00 58.65 57.72 2crw h GLN 118 Cb 0.35 0.14 -0.15 0.00 -0.05 0.00 0.00 27.48 27.77 2crw h GLN 118 CO -0.21 -0.40 0.63 1.28 -0.95 0.00 0.00 178.83 179.19 2crw n LEU 119 N -5.20 0.26 0.22 1.46 4.77 -0.79 -0.51 117.00 117.22 2crw n LEU 119 Ca -0.07 1.40 -0.09 0.00 -0.03 0.00 0.00 56.01 57.22 2crw n LEU 119 Cb 0.36 -0.68 -0.04 0.00 -2.33 0.00 0.00 43.42 40.73 2crw n LEU 119 CO 0.11 -1.55 0.34 0.22 -1.33 0.00 0.00 177.39 175.19 2crw h TYR 120 N 0.00 -0.55 -0.68 -1.77 5.03 -0.96 -2.66 116.97 115.38 2crw h TYR 120 Ca 0.79 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 62.14 2crw h TYR 120 Cb 2.29 0.18 -0.08 0.00 1.55 0.00 0.00 36.73 40.67 2crw h TYR 120 CO -0.01 -0.34 -0.40 0.54 -1.32 0.00 0.00 178.16 176.63 2crw n ARG 121 N -4.26 -0.30 -0.09 1.82 1.74 0.34 -0.10 116.66 115.80 2crw n ARG 121 Ca -0.07 1.18 -0.07 0.00 -0.77 0.00 0.00 57.85 58.11 2crw n ARG 121 Cb 0.23 -1.73 -0.01 0.00 -1.02 0.00 0.00 32.46 29.93 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 -0.23 -0.64 5.56 4.39 -1.56 -1.48 114.58 120.63 2crw h GLU 122 Ca 0.11 0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.95 2crw h GLU 122 Cb 0.28 0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 28.86 2crw h GLU 122 CO -0.63 -0.15 -0.21 -0.22 -1.16 0.00 0.00 179.01 176.63 2crw h LYS 123 N -0.24 -0.05 -0.46 2.33 3.64 -0.13 -0.24 116.57 121.42 2crw h LYS 123 Ca 0.16 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.64 2crw h LYS 123 Cb 0.50 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.25 2crw h LYS 123 CO -0.48 -0.03 -0.13 0.82 -2.27 0.00 0.00 179.45 177.36 2crw h ILE 124 N -0.05 0.52 -1.00 2.00 1.08 -0.09 0.58 117.51 120.56 2crw h ILE 124 Ca 0.29 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.96 2crw h ILE 124 Cb 0.50 0.52 -0.10 0.00 -3.07 0.00 0.00 36.82 34.67 2crw h ILE 124 CO -0.68 0.00 0.61 0.50 -0.69 0.00 0.00 178.15 177.90 2crw h LYS 125 N -0.02 0.70 0.35 2.37 3.64 -0.66 0.45 116.57 123.40 2crw h LYS 125 Ca 0.22 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2crw h LYS 125 Cb 0.35 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2crw h LYS 125 CO -0.48 0.46 -0.17 0.77 -2.27 0.00 0.00 179.45 177.77 2crw h SER 126 N 0.72 -0.39 -0.60 4.20 0.02 -0.54 -2.78 113.55 114.17 2crw h SER 126 Ca 0.56 -0.11 0.13 0.00 -0.84 0.00 0.00 61.79 61.53 2crw h SER 126 Cb 0.93 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.54 2crw h SER 126 CO -0.35 0.06 0.41 -0.07 -1.14 0.00 0.00 176.83 175.74 2crw h LEU 127 N -1.03 0.24 -1.14 5.07 3.38 -0.59 0.31 115.31 121.56 2crw h LEU 127 Ca -0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2crw h LEU 127 Cb 0.48 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2crw h LEU 127 CO 0.08 0.14 -0.05 0.00 0.09 0.00 0.00 178.44 178.69 2crw h ALA 128 N 1.70 1.00 0.04 1.53 0.00 -0.12 -2.97 119.26 120.45 2crw h ALA 128 Ca 0.29 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.92 2crw h ALA 128 Cb 0.77 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2crw h ALA 128 CO -0.06 0.06 -1.02 0.77 0.00 0.00 0.00 179.25 179.00 2crw h SER 129 N 0.00 0.27 0.07 0.00 0.02 -0.09 -2.57 113.55 111.25 2crw h SER 129 Ca -0.00 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2crw h SER 129 Cb 0.65 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2crw h SER 129 CO 0.01 1.13 -0.03 0.06 -1.14 0.00 0.00 176.83 176.85 2crw h GLN 130 N 0.08 -0.09 -0.12 3.45 3.07 -1.34 0.56 115.11 120.73 2crw h GLN 130 Ca -0.07 0.01 -0.13 0.00 0.09 0.00 0.00 58.65 58.55 2crw h GLN 130 Cb 1.71 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 29.28 2crw h GLN 130 CO 0.16 -0.04 -0.48 0.00 0.09 0.00 0.00 178.83 178.56 2crw h ALA 131 N 0.80 0.97 0.04 0.06 0.00 -1.65 -2.84 119.26 116.64 2crw h ALA 131 Ca -0.01 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2crw h ALA 131 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2crw h ALA 131 CO 0.02 0.65 -0.02 1.15 0.00 0.00 0.00 179.25 181.04 2crw h THR 132 N 0.24 0.00 -0.97 0.00 2.02 -1.19 -3.36 112.91 109.65 2crw h THR 132 Ca 0.01 -0.10 0.17 0.00 0.77 0.00 0.00 66.41 67.26 2crw h THR 132 Cb 0.94 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.18 2crw h THR 132 CO 0.08 0.00 -0.33 0.03 0.37 0.00 0.00 175.52 175.66 2crw h ARG 133 N -0.16 -0.01 -0.01 6.66 3.08 -0.01 0.26 114.38 124.19 2crw h ARG 133 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2crw h ARG 133 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 2crw h ARG 133 CO 0.01 -0.01 -0.00 1.17 -1.07 0.00 0.00 179.97 180.07 2crw n LYS 134 N -5.52 -0.00 0.00 0.04 0.00 -1.07 -4.21 118.16 107.40 2crw n LYS 134 Ca 0.12 0.25 0.00 0.00 0.00 0.00 0.00 58.31 58.68 2crw n LYS 134 Cb 0.43 -0.38 0.00 0.00 0.00 0.00 0.00 35.03 35.08 2crw n LYS 134 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2crw n HIS 135 N -2.30 0.00 0.00 5.64 -0.00 -0.85 -4.91 115.22 112.80 2crw n HIS 135 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2crw n HIS 135 Cb 0.00 0.13 0.00 0.00 -0.12 0.00 0.00 29.99 30.00 2crw n HIS 135 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2crw n GLY 136 N 2.33 0.97 0.59 1.57 0.00 0.84 -4.40 105.19 107.10 2crw n GLY 136 Ca 0.00 -1.23 0.45 0.00 0.00 0.00 0.00 46.02 45.23 2crw n GLY 136 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2crw h THR 137 N 0.00 0.10 -2.92 2.61 1.35 -1.92 -3.37 112.91 108.76 2crw h THR 137 Ca 0.00 -0.01 -0.57 0.00 -0.55 0.00 0.00 66.41 65.28 2crw h THR 137 Cb 0.00 0.06 -0.04 0.00 -1.73 0.00 0.00 68.15 66.45 2crw h THR 137 CO 0.00 0.01 0.99 -0.62 -0.25 0.00 0.00 175.52 175.65 2crw s ASP 138 N -4.27 6.71 -0.88 5.36 -1.08 -1.26 -4.91 116.67 116.34 2crw s ASP 138 Ca -0.06 1.58 -0.25 0.00 -0.52 0.00 0.00 52.55 53.30 2crw s ASP 138 Cb 0.28 -2.54 -0.09 0.00 -1.46 0.00 0.00 42.92 39.11 2crw s ASP 138 CO 0.86 -0.98 2.13 -0.76 0.52 0.00 0.00 175.17 176.93 2crw s LEU 139 N 4.18 3.01 0.32 -1.34 1.43 -1.26 -4.76 118.68 120.26 2crw s LEU 139 Ca 0.61 -0.46 0.26 0.00 -1.03 0.00 0.00 54.13 53.51 2crw s LEU 139 Cb -0.22 -2.56 1.04 0.00 0.03 0.00 0.00 46.19 44.49 2crw s LEU 139 CO 0.22 -3.27 1.02 -2.67 0.23 0.00 0.00 176.35 171.88 2crw n TRP 140 N 16.01 0.27 -0.17 0.29 2.14 -1.26 -0.26 117.44 134.45 2crw n TRP 140 Ca 0.43 0.27 -0.10 0.00 2.07 0.00 0.00 57.50 60.17 2crw n TRP 140 Cb 0.45 -0.63 -0.08 0.00 -0.81 0.00 0.00 31.31 30.24 2crw n TRP 140 CO 0.00 0.00 0.00 -0.07 2.07 0.00 0.00 177.69 179.69 2crw h LEU 141 N 0.00 -1.49 -7.30 5.67 3.38 -2.00 -3.44 115.31 110.12 2crw h LEU 141 Ca 0.59 0.21 -0.08 0.00 0.09 0.00 0.00 57.88 58.69 2crw h LEU 141 Cb 2.12 0.63 -0.17 0.00 0.09 0.00 0.00 40.66 43.33 2crw h LEU 141 CO -0.18 -0.27 -0.05 1.51 0.09 0.00 0.00 178.44 179.54 2crw s ASP 142 N -4.62 -0.36 -0.13 -0.43 1.47 0.64 -5.12 116.67 108.12 2crw s ASP 142 Ca -0.10 0.15 -0.36 0.00 1.18 0.00 0.00 52.55 53.41 2crw s ASP 142 Cb 0.07 0.44 -0.13 0.00 -0.34 0.00 0.00 42.92 42.96 2crw s ASP 142 CO 0.47 -0.64 1.81 -0.24 0.68 0.00 0.00 175.17 177.25 2crw n SER 143 N 0.63 3.07 -4.75 2.11 2.88 -1.26 -4.51 113.62 111.79 2crw n SER 143 Ca -0.19 1.01 -0.40 0.00 -1.33 0.00 0.00 58.87 57.96 2crw n SER 143 Cb 0.59 -1.30 -0.05 0.00 -0.75 0.00 0.00 64.21 62.70 2crw n SER 143 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2crw s SER 144 N 3.69 7.45 0.46 -3.46 1.04 -1.26 -5.03 113.70 116.58 2crw s SER 144 Ca 0.94 1.72 -0.24 0.00 0.48 0.00 0.00 55.95 58.85 2crw s SER 144 Cb -0.81 -2.54 -0.07 0.00 0.10 0.00 0.00 66.02 62.69 2crw s SER 144 CO 0.55 0.09 1.24 -0.83 0.98 0.00 0.00 173.24 175.28 2crw s GLY 145 N -0.66 2.85 0.76 7.32 0.00 -1.26 -5.00 107.32 111.33 2crw s GLY 145 Ca 0.40 1.11 -0.11 0.00 0.00 0.00 0.00 44.72 46.12 2crw s GLY 145 CO 0.28 1.62 1.09 2.56 0.00 0.00 0.00 173.10 178.65 2crw s PRO 146 N -2.57 2.31 -0.69 2.90 0.04 -1.26 -4.96 135.00 130.78 2crw s PRO 146 Ca 0.63 1.20 -0.02 0.00 0.04 0.00 0.00 61.00 62.85 2crw s PRO 146 Cb -0.34 -1.90 0.43 0.00 0.04 0.00 0.00 34.50 32.73 2crw s PRO 146 CO 0.42 -1.60 2.00 0.43 0.04 0.00 0.00 177.00 178.29 2crw n SER 147 N -3.38 7.58 -4.67 6.66 7.64 -1.26 -5.01 113.62 121.18 2crw n SER 147 Ca 0.09 -3.80 -0.50 0.00 1.01 0.00 0.00 58.87 55.67 2crw n SER 147 Cb 0.53 -0.97 -0.05 0.00 -1.01 0.00 0.00 64.21 62.70 2crw n SER 147 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2crw n SER 148 N -0.84 2.89 0.00 6.43 7.64 -1.26 -5.38 113.62 123.10 2crw n SER 148 Ca 0.60 1.04 0.00 0.00 1.01 0.00 0.00 58.87 61.53 2crw n SER 148 Cb 0.59 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 2crw n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64