#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yra h ARG 488 N 0.00 0.83 0.00 3.17 2.43 -1.69 0.57 114.38 119.69 1yra h ARG 488 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1yra h ARG 488 Cb 0.00 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1yra h ARG 488 CO 0.00 0.55 0.00 0.41 -1.51 0.00 0.00 179.97 179.42 1yra n GLY 489 N -1.33 -1.37 3.74 2.80 0.00 -1.26 -4.85 105.19 102.92 1yra n GLY 489 Ca 0.18 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1yra n GLY 489 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yra s SER 490 N -2.84 4.83 -1.01 1.61 0.01 0.19 -4.94 113.70 111.56 1yra s SER 490 Ca 0.19 2.53 -0.09 0.00 1.31 0.00 0.00 55.95 59.89 1yra s SER 490 Cb 0.18 -2.61 0.25 0.00 0.21 0.00 0.00 66.02 64.06 1yra s SER 490 CO 0.48 -1.85 0.97 -1.00 0.41 0.00 0.00 173.24 172.25 1yra s HIS 491 N -1.48 4.09 0.51 2.43 3.76 -1.26 -4.91 115.29 118.42 1yra s HIS 491 Ca 0.80 -2.62 -0.23 0.00 -0.15 0.00 0.00 55.06 52.87 1yra s HIS 491 Cb -0.35 -3.71 -0.06 0.00 1.11 0.00 0.00 32.58 29.57 1yra s HIS 491 CO 0.37 -0.92 1.36 0.72 -0.85 0.00 0.00 174.74 175.42 1yra n HIS 492 N 2.91 2.36 -3.82 1.40 8.25 -1.26 -4.98 115.22 120.07 1yra n HIS 492 Ca 0.21 0.44 -0.36 0.00 -0.26 0.00 0.00 57.72 57.75 1yra n HIS 492 Cb 0.40 -2.39 -0.10 0.00 1.12 0.00 0.00 29.99 29.03 1yra n HIS 492 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1yra s HIS 493 N -1.26 3.25 -0.19 4.41 2.46 -1.26 -4.79 115.29 117.91 1yra s HIS 493 Ca 0.68 0.07 -0.07 0.00 0.47 0.00 0.00 55.06 56.20 1yra s HIS 493 Cb -0.43 -2.18 -0.04 0.00 -0.13 0.00 0.00 32.58 29.79 1yra s HIS 493 CO 0.52 0.04 0.06 -1.58 -2.47 0.00 0.00 174.74 171.32 1yra s HIS 494 N 0.83 3.24 -0.33 3.88 2.46 -1.26 -4.94 115.29 119.17 1yra s HIS 494 Ca 0.05 0.05 -0.29 0.00 0.47 0.00 0.00 55.06 55.34 1yra s HIS 494 Cb -0.13 -2.09 0.00 0.00 -0.13 0.00 0.00 32.58 30.23 1yra s HIS 494 CO 0.02 0.12 1.38 -1.58 -2.47 0.00 0.00 174.74 172.21 1yra s HIS 495 N 0.45 2.52 0.27 3.88 2.46 -1.26 -4.89 115.29 118.72 1yra s HIS 495 Ca 0.03 0.77 -0.00 0.00 0.47 0.00 0.00 55.06 56.32 1yra s HIS 495 Cb -0.13 -4.05 0.61 0.00 -0.13 0.00 0.00 32.58 28.88 1yra s HIS 495 CO 0.01 -1.94 1.69 1.25 -2.47 0.00 0.00 174.74 173.27 1yra h HIS 496 N 9.95 0.46 -1.56 3.88 2.76 -1.96 -1.15 115.15 127.52 1yra h HIS 496 Ca -0.27 0.04 -0.74 0.00 -2.20 0.00 0.00 60.37 57.20 1yra h HIS 496 Cb 1.11 -0.07 -0.15 0.00 1.55 0.00 0.00 27.41 29.85 1yra h HIS 496 CO 0.92 -0.07 1.84 0.41 -1.30 0.00 0.00 177.93 179.72 1yra n GLY 497 N -1.35 3.91 3.20 5.26 0.00 -1.26 -4.79 105.19 110.16 1yra n GLY 497 Ca 0.19 -1.96 0.05 0.00 0.00 0.00 0.00 46.02 44.29 1yra n GLY 497 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1yra s MET 498 N 1.51 0.17 0.40 1.61 -2.45 -0.44 -5.16 119.30 114.94 1yra s MET 498 Ca 0.43 0.33 -0.26 0.00 -1.25 0.00 0.00 55.69 54.94 1yra s MET 498 Cb 0.04 0.19 -0.09 0.00 1.25 0.00 0.00 34.83 36.22 1yra s MET 498 CO 0.00 -0.14 1.30 0.00 1.05 0.00 0.00 175.02 177.24 1yra s ALA 499 N 2.74 3.28 0.70 4.11 0.00 -1.26 -4.81 121.76 126.52 1yra s ALA 499 Ca -0.02 1.24 0.03 0.00 0.00 0.00 0.00 51.96 53.20 1yra s ALA 499 Cb -0.08 -3.49 0.13 0.00 0.00 0.00 0.00 23.12 19.68 1yra s ALA 499 CO -0.12 -0.81 0.96 -1.54 0.00 0.00 0.00 175.76 174.25 1yra s SER 500 N -0.71 4.45 -0.25 0.00 1.04 -1.26 -4.99 113.70 111.98 1yra s SER 500 Ca 0.56 -0.60 -0.06 0.00 0.48 0.00 0.00 55.95 56.34 1yra s SER 500 Cb -0.38 0.25 -0.01 0.00 0.10 0.00 0.00 66.02 65.98 1yra s SER 500 CO 0.49 -1.81 0.02 -0.04 0.98 0.00 0.00 173.24 172.89 1yra s MET 1 N -5.04 3.33 -0.24 4.02 1.00 0.99 -4.99 119.30 118.36 1yra s MET 1 Ca 0.66 -0.68 -0.15 0.00 0.00 0.00 0.00 55.69 55.53 1yra s MET 1 Cb -0.05 -3.21 -0.04 0.00 0.00 0.00 0.00 34.83 31.54 1yra s MET 1 CO 0.43 -0.29 0.35 0.42 0.00 0.00 0.00 175.02 175.94 1yra s ILE 2 N 1.51 5.21 -0.15 2.53 1.01 -1.26 -1.40 121.20 128.64 1yra s ILE 2 Ca 0.05 0.56 0.02 0.00 0.00 0.00 0.00 60.65 61.27 1yra s ILE 2 Cb -0.16 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1yra s ILE 2 CO 0.00 0.21 -0.21 -0.69 0.00 0.00 0.00 174.94 174.26 1yra s VAL 3 N 1.68 2.10 -0.21 2.92 1.01 -0.30 -0.48 120.40 127.13 1yra s VAL 3 Ca 0.15 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 1yra s VAL 3 Cb -0.15 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1yra s VAL 3 CO 0.09 0.54 -0.06 -0.69 0.00 0.00 0.00 175.10 174.98 1yra s VAL 4 N 0.98 3.30 -0.30 2.92 1.01 0.24 -0.26 120.40 128.29 1yra s VAL 4 Ca -0.03 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 1yra s VAL 4 Cb -0.15 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1yra s VAL 4 CO -0.06 0.44 0.38 -0.36 0.00 0.00 0.00 175.10 175.50 1yra s PHE 5 N 1.34 3.23 0.01 5.22 0.08 -0.46 0.51 117.98 127.91 1yra s PHE 5 Ca 0.04 0.24 0.07 0.00 0.12 0.00 0.00 56.93 57.41 1yra s PHE 5 Cb -0.14 -2.64 -0.02 0.00 -0.57 0.00 0.00 43.02 39.65 1yra s PHE 5 CO -0.03 -0.32 -0.22 0.08 -0.10 0.00 0.00 175.22 174.63 1yra s VAL 6 N 2.08 1.76 0.00 -0.44 1.01 -0.51 -3.34 120.40 120.96 1yra s VAL 6 Ca 0.14 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1yra s VAL 6 Cb -0.16 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1yra s VAL 6 CO 0.11 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1yra n GLY 7 N 2.18 1.31 3.39 4.51 0.00 -1.26 -1.21 105.19 114.11 1yra n GLY 7 Ca -0.16 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 1yra n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1yra n THR 8 N -0.19 1.39 -1.70 2.61 5.66 -1.26 -4.11 114.28 116.68 1yra n THR 8 Ca 0.00 -0.43 -0.44 0.00 -3.05 0.00 0.00 64.05 60.13 1yra n THR 8 Cb 0.00 -0.56 -0.03 0.00 -1.55 0.00 0.00 70.33 68.20 1yra n THR 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1yra n ALA 9 N -2.20 1.82 -0.01 1.79 0.00 -0.90 -1.46 120.51 119.54 1yra n ALA 9 Ca 0.09 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1yra n ALA 9 Cb 0.50 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1yra n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yra n GLY 10 N 2.67 1.59 0.26 0.00 0.00 -1.26 -4.95 105.19 103.50 1yra n GLY 10 Ca 0.12 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.32 1yra n GLY 10 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1yra h SER 11 N 0.00 0.00 0.00 1.61 4.64 -1.56 -3.46 113.55 114.78 1yra h SER 11 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yra h SER 11 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1yra h SER 11 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1yra n GLY 12 N -0.36 1.85 0.20 -0.77 0.00 -1.26 -4.73 105.19 100.11 1yra n GLY 12 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1yra n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yra h LYS 13 N 0.00 0.61 0.01 1.61 1.57 -1.89 -1.12 116.57 117.36 1yra h LYS 13 Ca 0.00 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.58 1yra h LYS 13 Cb 0.00 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.19 1yra h LYS 13 CO 0.00 0.42 -0.62 1.15 -0.57 0.00 0.00 179.45 179.83 1yra h THR 14 N 0.62 1.43 -0.45 -0.16 2.02 -1.96 -1.00 112.91 113.41 1yra h THR 14 Ca 0.17 -2.11 -0.00 0.00 0.77 0.00 0.00 66.41 65.24 1yra h THR 14 Cb -0.05 2.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 1yra h THR 14 CO -0.03 0.61 0.26 0.74 0.37 0.00 0.00 175.52 177.47 1yra h THR 15 N -0.10 1.15 -0.16 3.16 2.02 -1.96 -1.34 112.91 115.68 1yra h THR 15 Ca -0.08 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 1yra h THR 15 Cb 1.34 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1yra h THR 15 CO 0.12 0.15 0.10 0.25 0.37 0.00 0.00 175.52 176.51 1yra h LEU 16 N 0.59 0.20 -0.04 2.58 5.85 -1.15 -0.39 115.31 122.94 1yra h LEU 16 Ca 0.16 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1yra h LEU 16 Cb 0.01 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1yra h LEU 16 CO -0.03 0.20 -0.15 0.74 -0.34 0.00 0.00 178.44 178.85 1yra h THR 17 N 0.18 0.62 0.22 1.05 2.02 -1.05 0.49 112.91 116.43 1yra h THR 17 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.24 1yra h THR 17 Cb 0.04 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1yra h THR 17 CO -0.01 0.00 -0.22 1.23 0.37 0.00 0.00 175.52 176.89 1yra h GLY 18 N -0.23 -0.47 1.52 2.16 0.00 -1.12 -2.46 103.07 102.47 1yra h GLY 18 Ca 0.06 0.25 -0.15 0.00 0.00 0.00 0.00 47.33 47.49 1yra h GLY 18 CO -0.18 -0.20 -0.52 -2.09 0.00 0.00 0.00 176.54 173.55 1yra h GLU 19 N -0.46 0.51 -0.58 4.80 4.57 -0.85 -2.37 114.58 120.18 1yra h GLU 19 Ca -0.00 -0.31 -0.03 0.00 -1.18 0.00 0.00 59.36 57.84 1yra h GLU 19 Cb 0.44 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 1yra h GLU 19 CO -0.05 0.91 0.24 0.35 -1.18 0.00 0.00 179.01 179.28 1yra h PHE 20 N 0.39 0.88 -0.90 0.92 3.57 -0.94 -2.18 116.94 118.69 1yra h PHE 20 Ca 0.01 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.46 1yra h PHE 20 Cb 1.05 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.48 1yra h PHE 20 CO 0.04 0.70 0.59 0.78 -2.23 0.00 0.00 178.31 178.20 1yra h GLY 21 N 0.80 1.27 1.02 2.40 0.00 -1.28 -0.55 103.07 106.74 1yra h GLY 21 Ca 0.20 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 1yra h GLY 21 CO -0.02 0.45 0.10 -0.09 0.00 0.00 0.00 176.54 176.98 1yra h ARG 22 N 1.20 0.96 -0.41 4.80 2.43 -1.22 0.13 114.38 122.27 1yra h ARG 22 Ca 0.33 -0.25 0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1yra h ARG 22 Cb -0.11 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.28 1yra h ARG 22 CO -0.08 0.91 0.17 -0.92 -1.51 0.00 0.00 179.97 178.54 1yra h TYR 23 N 0.86 0.31 0.00 2.20 3.20 -1.10 -2.77 116.97 119.66 1yra h TYR 23 Ca 0.18 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 1yra h TYR 23 Cb 0.41 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1yra h TYR 23 CO 0.03 0.14 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.41 1yra h LEU 24 N 0.35 0.00 -1.32 2.82 3.38 -0.39 -3.19 115.31 116.95 1yra h LEU 24 Ca 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1yra h LEU 24 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1yra h LEU 24 CO -0.17 0.20 -0.16 -0.33 0.09 0.00 0.00 178.44 178.07 1yra h GLU 25 N 0.00 0.00 -0.93 1.13 5.08 -0.47 0.14 114.58 119.53 1yra h GLU 25 Ca -0.00 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 1yra h GLU 25 Cb 0.60 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 1yra h GLU 25 CO 0.03 0.16 0.58 -0.44 -1.00 0.00 0.00 179.01 178.34 1yra h ASP 26 N 0.00 0.88 0.00 1.42 3.32 -1.64 -3.28 116.42 117.12 1yra h ASP 26 Ca -0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1yra h ASP 26 Cb 0.63 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1yra h ASP 26 CO 0.02 0.53 -1.01 0.59 -1.72 0.00 0.00 179.24 177.65 1yra n ASN 27 N -4.61 3.23 -4.36 6.45 4.13 -0.64 -2.15 115.26 117.31 1yra n ASN 27 Ca 0.15 -0.12 -0.18 0.00 1.68 0.00 0.00 54.58 56.11 1yra n ASN 27 Cb 0.25 1.16 -0.10 0.00 -1.54 0.00 0.00 39.78 39.55 1yra n ASN 27 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1yra s TYR 28 N -2.13 1.67 -0.43 3.10 1.51 0.40 -4.99 117.35 116.47 1yra s TYR 28 Ca -0.01 -0.96 -0.25 0.00 -1.01 0.00 0.00 57.07 54.84 1yra s TYR 28 Cb 0.03 -1.00 0.02 0.00 -0.11 0.00 0.00 41.96 40.90 1yra s TYR 28 CO 0.18 -0.06 0.90 0.21 -1.11 0.00 0.00 175.55 175.68 1yra s LYS 29 N -3.89 3.61 -0.10 -0.62 2.20 -1.26 -4.36 119.74 115.33 1yra s LYS 29 Ca 0.32 0.24 -0.01 0.00 -0.36 0.00 0.00 55.97 56.15 1yra s LYS 29 Cb 0.07 -3.89 -0.03 0.00 -1.51 0.00 0.00 37.83 32.47 1yra s LYS 29 CO 0.11 -1.12 -0.03 0.08 -0.36 0.00 0.00 175.35 174.04 1yra s VAL 30 N 3.58 4.02 0.08 4.02 1.01 -1.26 -0.47 120.40 131.38 1yra s VAL 30 Ca 0.36 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.07 1yra s VAL 30 Cb -0.11 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1yra s VAL 30 CO 0.23 0.58 -0.14 0.00 0.00 0.00 0.00 175.10 175.77 1yra s ALA 31 N -0.56 2.81 -0.10 5.51 0.00 0.34 -4.98 121.76 124.77 1yra s ALA 31 Ca 0.09 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 50.84 1yra s ALA 31 Cb -0.12 -0.81 -0.00 0.00 0.00 0.00 0.00 23.12 22.18 1yra s ALA 31 CO 0.02 0.61 -0.22 0.71 0.00 0.00 0.00 175.76 176.88 1yra s TYR 32 N -1.11 2.60 -0.20 0.00 2.02 -1.26 -0.30 117.35 119.09 1yra s TYR 32 Ca 0.19 -0.92 -0.01 0.00 -0.37 0.00 0.00 57.07 55.96 1yra s TYR 32 Cb -0.11 -1.72 0.01 0.00 -0.40 0.00 0.00 41.96 39.74 1yra s TYR 32 CO 0.10 -0.35 -0.13 0.08 -1.57 0.00 0.00 175.55 173.68 1yra s VAL 33 N 0.27 2.57 -0.30 0.71 1.01 0.55 -0.61 120.40 124.60 1yra s VAL 33 Ca -0.15 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 1yra s VAL 33 Cb -0.17 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 1yra s VAL 33 CO 0.08 0.47 0.17 0.21 0.00 0.00 0.00 175.10 176.03 1yra s ASN 34 N 1.35 5.75 0.00 3.32 3.04 0.11 -0.16 114.94 128.36 1yra s ASN 34 Ca 0.05 -0.32 0.17 0.00 0.04 0.00 0.00 52.86 52.80 1yra s ASN 34 Cb -0.14 -2.06 0.42 0.00 -1.54 0.00 0.00 41.25 37.93 1yra s ASN 34 CO -0.09 -0.14 1.34 0.18 -3.04 0.00 0.00 177.10 175.34 1yra n LEU 35 N 5.03 3.27 -4.48 3.21 4.77 -0.44 -2.09 117.00 126.26 1yra n LEU 35 Ca -0.14 -1.82 -0.43 0.00 -0.03 0.00 0.00 56.01 53.59 1yra n LEU 35 Cb 0.50 -0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 41.20 1yra n LEU 35 CO 0.34 0.78 0.04 -0.62 -1.33 0.00 0.00 177.39 176.61 1yra s ASP 36 N -1.08 6.17 0.00 -1.43 2.15 -1.26 -4.08 116.67 117.14 1yra s ASP 36 Ca 0.33 -0.70 0.23 0.00 0.43 0.00 0.00 52.55 52.84 1yra s ASP 36 Cb 0.18 -2.20 1.35 0.00 -0.30 0.00 0.00 42.92 41.95 1yra s ASP 36 CO 0.24 -0.51 1.78 0.35 -0.17 0.00 0.00 175.17 176.85 1yra n THR 37 N 5.33 0.00 -1.17 1.71 -2.24 -1.26 -3.85 114.28 112.80 1yra n THR 37 Ca -0.09 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.74 1yra n THR 37 Cb 0.47 -0.51 0.07 0.00 -2.10 0.00 0.00 70.33 68.26 1yra n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yra n GLY 38 N 0.62 2.73 3.87 3.38 0.00 -1.26 -1.13 105.19 113.40 1yra n GLY 38 Ca 0.17 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 1yra n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yra s VAL 39 N -1.56 5.28 -0.18 1.61 0.11 -1.25 -4.98 120.40 119.43 1yra s VAL 39 Ca 0.16 0.41 -0.22 0.00 -2.93 0.00 0.00 61.98 59.40 1yra s VAL 39 Cb 0.14 -3.56 -0.19 0.00 -1.53 0.00 0.00 36.38 31.24 1yra s VAL 39 CO 0.01 0.52 0.34 0.50 -3.33 0.00 0.00 175.10 173.14 1yra h LYS 40 N 4.54 0.00 -4.92 1.54 3.64 -1.95 -3.47 116.57 115.96 1yra h LYS 40 Ca -0.52 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 58.45 1yra h LYS 40 Cb 1.22 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.76 1yra h LYS 40 CO 0.62 0.87 -0.78 -1.83 -2.27 0.00 0.00 179.45 176.06 1yra s GLU 41 N -2.27 0.80 -0.16 1.90 -1.05 -1.26 -5.14 118.70 111.52 1yra s GLU 41 Ca -0.23 -0.48 -0.09 0.00 -0.15 0.00 0.00 54.97 54.02 1yra s GLU 41 Cb 0.03 -0.77 -0.05 0.00 -0.44 0.00 0.00 34.13 32.90 1yra s GLU 41 CO 0.56 0.20 0.13 -0.51 0.95 0.00 0.00 175.26 176.60 1yra s LEU 42 N -0.56 4.29 0.00 1.83 1.43 -1.26 -4.97 118.68 119.43 1yra s LEU 42 Ca 0.02 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.48 1yra s LEU 42 Cb -0.05 -2.08 0.09 0.00 0.03 0.00 0.00 46.19 44.18 1yra s LEU 42 CO 0.00 0.29 1.04 -0.81 0.23 0.00 0.00 176.35 177.10 1yra n PRO 43 N 2.79 0.98 -4.05 1.29 -0.04 -1.26 -4.84 135.00 129.88 1yra n PRO 43 Ca -0.18 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.19 1yra n PRO 43 Cb 0.53 -1.02 -0.09 0.00 -0.04 0.00 0.00 33.50 32.88 1yra n PRO 43 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1yra s TYR 44 N -2.00 0.57 -0.29 0.54 -0.85 -1.26 -4.91 117.35 109.16 1yra s TYR 44 Ca 0.02 -0.99 -0.17 0.00 -0.52 0.00 0.00 57.07 55.41 1yra s TYR 44 Cb 0.01 -0.30 -0.02 0.00 0.38 0.00 0.00 41.96 42.03 1yra s TYR 44 CO 0.02 -0.54 0.47 -2.00 -1.52 0.00 0.00 175.55 171.98 1yra s GLU 45 N -3.97 3.93 0.28 -3.49 2.56 -1.26 -5.04 118.70 111.70 1yra s GLU 45 Ca 0.16 0.09 -0.28 0.00 0.00 0.00 0.00 54.97 54.94 1yra s GLU 45 Cb 0.06 -3.70 -0.09 0.00 2.00 0.00 0.00 34.13 32.40 1yra s GLU 45 CO -0.03 -0.41 0.95 -1.25 -0.56 0.00 0.00 175.26 173.96 1yra s PRO 46 N 2.25 4.73 0.13 4.30 0.04 -1.26 -4.60 135.00 140.60 1yra s PRO 46 Ca 0.18 1.43 0.02 0.00 0.04 0.00 0.00 61.00 62.68 1yra s PRO 46 Cb -0.16 -3.07 -0.14 0.00 0.04 0.00 0.00 34.50 31.17 1yra s PRO 46 CO 0.11 0.41 1.29 0.77 0.04 0.00 0.00 177.00 179.61 1yra h SER 47 N 3.73 0.22 -3.59 6.66 0.02 -1.25 -3.45 113.55 115.89 1yra h SER 47 Ca -0.46 -0.21 -0.45 0.00 -0.84 0.00 0.00 61.79 59.83 1yra h SER 47 Cb 1.20 -0.07 -0.33 0.00 0.14 0.00 0.00 62.40 63.34 1yra h SER 47 CO 0.67 1.10 -0.79 -0.63 -1.14 0.00 0.00 176.83 176.03 1yra s ILE 48 N -2.91 0.82 -0.28 3.27 1.01 -1.03 -5.05 121.20 117.04 1yra s ILE 48 Ca -0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 1yra s ILE 48 Cb 0.09 -0.77 0.11 0.00 0.01 0.00 0.00 42.46 41.91 1yra s ILE 48 CO 0.84 0.27 0.19 -0.62 0.00 0.00 0.00 174.94 175.63 1yra s ASP 49 N 0.54 2.66 0.23 3.58 -1.08 -1.26 -0.71 116.67 120.64 1yra s ASP 49 Ca -0.09 -0.99 0.18 0.00 -0.52 0.00 0.00 52.55 51.12 1yra s ASP 49 Cb -0.13 0.02 0.90 0.00 -1.46 0.00 0.00 42.92 42.25 1yra s ASP 49 CO 0.01 -0.41 1.55 1.33 0.52 0.00 0.00 175.17 178.17 1yra n VAL 50 N 5.28 1.15 0.43 1.11 0.24 -0.89 -1.77 118.33 123.89 1yra n VAL 50 Ca -0.05 0.56 0.06 0.00 -2.04 0.00 0.00 64.34 62.87 1yra n VAL 50 Cb 0.44 -1.53 0.27 0.00 -1.47 0.00 0.00 33.84 31.55 1yra n VAL 50 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1yra n ARG 51 N -2.08 0.01 0.17 7.34 1.74 -1.26 -2.13 116.66 120.45 1yra n ARG 51 Ca -0.00 0.28 0.12 0.00 -0.77 0.00 0.00 57.85 57.48 1yra n ARG 51 Cb 0.08 -1.50 0.13 0.00 -1.02 0.00 0.00 32.46 30.15 1yra n ARG 51 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1yra h GLU 52 N 0.00 0.00 0.02 5.56 4.39 -1.77 -3.31 114.58 119.47 1yra h GLU 52 Ca 0.00 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.52 1yra h GLU 52 Cb 0.21 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1yra h GLU 52 CO 0.00 0.00 -0.97 0.35 -1.16 0.00 0.00 179.01 177.23 1yra h PHE 53 N 0.00 0.08 -2.25 4.33 3.57 -1.63 -3.50 116.94 117.54 1yra h PHE 53 Ca 0.00 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.46 1yra h PHE 53 Cb 0.97 -0.00 -0.17 0.00 2.79 0.00 0.00 35.95 39.54 1yra h PHE 53 CO 0.00 1.38 0.34 0.54 -2.23 0.00 0.00 178.31 178.34 1yra s VAL 54 N -2.35 0.00 0.19 1.41 0.11 -1.02 -5.12 120.40 113.62 1yra s VAL 54 Ca -0.25 0.00 0.11 0.00 -2.93 0.00 0.00 61.98 58.92 1yra s VAL 54 Cb 0.03 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 1yra s VAL 54 CO 0.65 0.00 -0.24 0.42 -3.33 0.00 0.00 175.10 172.60 1yra s THR 55 N -2.34 2.34 0.31 5.04 -4.23 -1.26 -4.00 115.64 111.50 1yra s THR 55 Ca -0.02 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 58.46 1yra s THR 55 Cb -0.01 -2.12 0.28 0.00 1.34 0.00 0.00 72.50 71.99 1yra s THR 55 CO -0.03 -0.13 1.93 0.58 -0.54 0.00 0.00 174.62 176.44 1yra h VAL 56 N 3.18 1.09 -0.09 2.29 2.07 -1.42 -2.81 116.25 120.56 1yra h VAL 56 Ca -0.46 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1yra h VAL 56 Cb 1.21 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1yra h VAL 56 CO 0.48 0.18 0.01 -0.33 0.02 0.00 0.00 177.57 177.93 1yra h GLU 57 N 0.99 0.15 -0.78 1.57 5.08 -1.95 -0.75 114.58 118.89 1yra h GLU 57 Ca 0.35 -0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.82 1yra h GLU 57 Cb 0.14 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.28 1yra h GLU 57 CO -0.12 0.37 0.31 1.49 -1.00 0.00 0.00 179.01 180.06 1yra h GLU 58 N -0.10 0.43 -0.24 2.33 4.57 -1.93 -2.25 114.58 117.40 1yra h GLU 58 Ca 0.03 -0.03 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 1yra h GLU 58 Cb 0.30 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 1yra h GLU 58 CO 0.00 0.29 -0.49 0.82 -1.18 0.00 0.00 179.01 178.45 1yra h ILE 59 N 0.44 1.30 -0.31 2.32 2.04 -1.23 -2.73 117.51 119.34 1yra h ILE 59 Ca 0.43 -1.70 -0.03 0.00 1.00 0.00 0.00 64.86 64.56 1yra h ILE 59 Cb 0.67 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 1yra h ILE 59 CO -0.42 0.54 0.07 0.24 0.00 0.00 0.00 178.15 178.58 1yra h MET 60 N 0.51 0.45 0.00 2.37 2.86 -0.59 0.18 114.93 120.72 1yra h MET 60 Ca 0.02 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1yra h MET 60 Cb 1.04 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.62 1yra h MET 60 CO 0.10 0.43 0.00 0.00 1.06 0.00 0.00 176.91 178.49 1yra h ARG 61 N 0.45 0.00 -0.00 1.72 3.08 -1.11 0.17 114.38 118.69 1yra h ARG 61 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1yra h ARG 61 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1yra h ARG 61 CO -0.00 0.00 -0.19 0.39 -1.07 0.00 0.00 179.97 179.09 1yra n GLU 62 N -2.42 0.01 0.00 0.04 1.02 0.63 -4.91 120.64 115.01 1yra n GLU 62 Ca -0.01 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1yra n GLU 62 Cb 0.06 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1yra n GLU 62 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yra n GLY 63 N 1.50 1.25 3.83 0.62 0.00 0.58 -5.10 105.19 107.87 1yra n GLY 63 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1yra n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yra s TYR 64 N -2.00 3.39 0.89 1.61 2.02 -1.21 -5.04 117.35 117.02 1yra s TYR 64 Ca 0.00 1.43 -0.12 0.00 -0.37 0.00 0.00 57.07 58.01 1yra s TYR 64 Cb 0.00 -2.69 0.12 0.00 -0.40 0.00 0.00 41.96 38.99 1yra s TYR 64 CO 0.00 0.04 1.12 0.20 -1.57 0.00 0.00 175.55 175.34 1yra s GLY 65 N -2.14 1.59 0.16 0.71 0.00 -1.26 -4.41 107.32 101.98 1yra s GLY 65 Ca 0.56 -0.38 -0.18 0.00 0.00 0.00 0.00 44.72 44.72 1yra s GLY 65 CO 0.16 0.14 1.67 -2.55 0.00 0.00 0.00 173.10 172.52 1yra h PRO 66 N -1.44 -0.04 -0.07 2.90 0.11 -1.97 0.13 132.00 131.62 1yra h PRO 66 Ca -0.50 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.42 1yra h PRO 66 Cb 1.31 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 1yra h PRO 66 CO 0.60 -0.03 -0.75 -0.91 -0.21 0.00 0.00 178.00 176.70 1yra h ASN 67 N -0.04 0.50 -0.70 -2.05 2.35 -1.99 -1.45 115.58 112.18 1yra h ASN 67 Ca 0.17 -0.33 -0.05 0.00 -0.55 0.00 0.00 56.30 55.54 1yra h ASN 67 Cb 0.30 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 1yra h ASN 67 CO -0.38 1.08 0.24 1.23 -1.65 0.00 0.00 177.43 177.95 1yra h GLY 68 N 1.27 1.17 2.00 2.83 0.00 -1.86 -2.72 103.07 105.76 1yra h GLY 68 Ca -0.04 -0.67 -0.10 0.00 0.00 0.00 0.00 47.33 46.53 1yra h GLY 68 CO 0.13 0.63 -0.48 0.00 0.00 0.00 0.00 176.54 176.82 1yra h ALA 69 N 1.20 0.96 -0.05 3.60 0.00 -0.47 -1.56 119.26 122.95 1yra h ALA 69 Ca 0.23 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1yra h ALA 69 Cb 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1yra h ALA 69 CO -0.01 0.60 -0.15 0.82 0.00 0.00 0.00 179.25 180.51 1yra h ILE 70 N 0.00 1.44 0.18 0.00 2.04 -1.10 0.19 117.51 120.26 1yra h ILE 70 Ca -0.00 -1.53 -0.01 0.00 1.00 0.00 0.00 64.86 64.32 1yra h ILE 70 Cb 1.00 2.31 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 1yra h ILE 70 CO 0.06 0.42 -0.09 0.58 0.00 0.00 0.00 178.15 179.13 1yra h VAL 71 N -0.33 0.86 -0.62 1.67 2.07 -1.47 -2.97 116.25 115.47 1yra h VAL 71 Ca -0.00 -0.18 0.12 0.00 0.82 0.00 0.00 66.70 67.45 1yra h VAL 71 Cb 0.76 0.98 -0.09 0.00 -1.52 0.00 0.00 31.29 31.42 1yra h VAL 71 CO 0.03 0.04 0.15 -0.08 0.02 0.00 0.00 177.57 177.73 1yra h GLU 72 N -0.33 0.27 -0.88 1.57 4.57 -1.27 -1.02 114.58 117.49 1yra h GLU 72 Ca -0.02 -0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.29 1yra h GLU 72 Cb 0.25 -0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 28.72 1yra h GLU 72 CO 0.04 0.18 0.57 0.66 -1.18 0.00 0.00 179.01 179.28 1yra h SER 73 N 0.28 0.61 0.77 1.04 4.64 -0.47 -0.66 113.55 119.76 1yra h SER 73 Ca 0.33 0.04 -0.25 0.00 -0.47 0.00 0.00 61.79 61.44 1yra h SER 73 Cb 0.48 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.46 1yra h SER 73 CO -0.40 0.30 -1.32 1.88 -0.87 0.00 0.00 176.83 176.42 1yra h TYR 74 N 0.64 0.00 -0.35 4.77 0.05 -1.14 -0.48 116.97 120.47 1yra h TYR 74 Ca 0.44 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 59.26 1yra h TYR 74 Cb 0.77 -0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.48 1yra h TYR 74 CO -0.00 1.00 0.13 -0.44 -1.05 0.00 0.00 178.16 177.80 1yra h ASP 75 N 0.00 0.16 -0.49 3.88 3.32 -0.49 -2.23 116.42 120.57 1yra h ASP 75 Ca -0.13 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.84 1yra h ASP 75 Cb 1.88 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 41.43 1yra h ASP 75 CO 0.11 0.13 -0.12 0.03 -1.72 0.00 0.00 179.24 177.66 1yra h ARG 76 N 0.29 0.96 -0.42 3.56 3.08 -1.16 -2.51 114.38 118.18 1yra h ARG 76 Ca 0.15 -0.37 0.12 0.00 0.07 0.00 0.00 59.98 59.96 1yra h ARG 76 Cb 0.11 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1yra h ARG 76 CO -0.15 1.03 0.50 -0.07 -1.07 0.00 0.00 179.97 180.21 1yra h LEU 77 N 0.81 0.00 -1.12 3.04 3.38 -0.82 -2.31 115.31 118.30 1yra h LEU 77 Ca 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1yra h LEU 77 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1yra h LEU 77 CO 0.05 0.00 -0.18 0.24 0.09 0.00 0.00 178.44 178.64 1yra h MET 78 N 0.00 0.00 0.00 1.13 2.86 -0.93 -2.02 114.93 115.97 1yra h MET 78 Ca 0.20 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.80 1yra h MET 78 Cb 1.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 1yra h MET 78 CO -0.00 0.18 -0.19 0.93 1.06 0.00 0.00 176.91 178.89 1yra h GLU 79 N 0.00 0.00 -0.47 1.72 5.08 -1.56 -1.91 114.58 117.43 1yra h GLU 79 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1yra h GLU 79 Cb 0.72 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1yra h GLU 79 CO 0.02 0.19 0.04 1.63 -1.00 0.00 0.00 179.01 179.89 1yra n LYS 80 N -3.65 3.80 0.12 2.33 4.01 -0.77 -4.81 118.16 119.20 1yra n LYS 80 Ca -0.01 -3.04 -0.13 0.00 -0.51 0.00 0.00 58.31 54.62 1yra n LYS 80 Cb 0.31 -2.08 -0.06 0.00 -0.51 0.00 0.00 35.03 32.69 1yra n LYS 80 CO 0.00 0.00 0.00 0.35 -1.11 0.00 0.00 177.40 176.64 1yra h PHE 81 N 2.78 -0.41 -0.59 2.13 3.57 -1.22 -2.31 116.94 120.90 1yra h PHE 81 Ca 0.06 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1yra h PHE 81 Cb 1.83 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 40.71 1yra h PHE 81 CO 0.90 -0.24 0.14 -0.91 -2.23 0.00 0.00 178.31 175.97 1yra h ASN 82 N -0.34 0.89 -0.70 0.41 -0.26 -1.87 0.17 115.58 113.88 1yra h ASN 82 Ca 0.01 -0.23 0.08 0.00 -0.56 0.00 0.00 56.30 55.59 1yra h ASN 82 Cb 0.33 -0.24 -0.06 0.00 -1.06 0.00 0.00 38.32 37.29 1yra h ASN 82 CO -0.05 0.89 0.36 -0.08 -1.06 0.00 0.00 177.43 177.50 1yra h GLU 83 N 0.85 0.62 -0.17 0.81 4.81 -1.92 0.62 114.58 120.21 1yra h GLU 83 Ca 0.18 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1yra h GLU 83 Cb 0.35 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 1yra h GLU 83 CO 0.00 0.41 -0.15 1.88 -0.73 0.00 0.00 179.01 180.42 1yra h TYR 84 N 0.64 0.47 -0.22 0.92 0.05 -0.83 -1.30 116.97 116.71 1yra h TYR 84 Ca 0.33 -0.14 0.06 0.00 0.05 0.00 0.00 58.73 59.03 1yra h TYR 84 Cb 0.30 -0.10 -0.06 0.00 1.01 0.00 0.00 36.73 37.88 1yra h TYR 84 CO -0.09 0.76 -0.16 1.25 -1.05 0.00 0.00 178.16 178.87 1yra h LEU 85 N 0.05 -0.51 -0.51 3.88 5.85 -0.36 -1.47 115.31 122.24 1yra h LEU 85 Ca 0.03 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 1yra h LEU 85 Cb 0.68 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1yra h LEU 85 CO 0.04 -0.20 0.06 0.78 -0.34 0.00 0.00 178.44 178.78 1yra h ASN 86 N -0.15 0.83 -0.64 1.25 2.35 0.26 0.11 115.58 119.59 1yra h ASN 86 Ca 0.13 -0.27 0.08 0.00 -0.55 0.00 0.00 56.30 55.68 1yra h ASN 86 Cb 0.34 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.43 1yra h ASN 86 CO -0.31 0.89 0.31 0.11 -1.65 0.00 0.00 177.43 176.78 1yra h LYS 87 N 0.73 0.53 -0.36 0.81 1.57 -1.11 0.31 116.57 119.05 1yra h LYS 87 Ca 0.15 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1yra h LYS 87 Cb 0.43 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1yra h LYS 87 CO 0.01 0.35 -0.05 0.82 -0.57 0.00 0.00 179.45 180.01 1yra h ILE 88 N 0.54 1.27 -1.01 1.86 2.04 -0.91 -1.29 117.51 120.02 1yra h ILE 88 Ca 0.31 -1.09 0.07 0.00 1.00 0.00 0.00 64.86 65.15 1yra h ILE 88 Cb 0.31 1.25 -0.07 0.00 -0.74 0.00 0.00 36.82 37.57 1yra h ILE 88 CO -0.25 0.36 0.65 -0.07 0.00 0.00 0.00 178.15 178.84 1yra h LEU 89 N 0.47 1.03 -0.25 1.44 3.38 -0.42 0.21 115.31 121.17 1yra h LEU 89 Ca 0.10 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1yra h LEU 89 Cb 0.54 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1yra h LEU 89 CO 0.03 0.64 0.16 0.03 0.09 0.00 0.00 178.44 179.39 1yra h ARG 90 N 1.16 0.33 -0.98 1.13 3.08 -0.69 -2.93 114.38 115.48 1yra h ARG 90 Ca 0.44 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.57 1yra h ARG 90 Cb 0.21 -0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.10 1yra h ARG 90 CO -0.18 0.25 0.61 -0.07 -1.07 0.00 0.00 179.97 179.51 1yra h LEU 91 N 0.32 0.92 -1.47 3.04 3.38 0.19 -0.34 115.31 121.35 1yra h LEU 91 Ca 0.09 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1yra h LEU 91 Cb -0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1yra h LEU 91 CO -0.02 0.52 -0.11 -0.08 0.09 0.00 0.00 178.44 178.85 1yra h GLU 92 N 1.01 0.00 0.00 1.13 4.22 -1.07 -1.92 114.58 117.96 1yra h GLU 92 Ca 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.89 1yra h GLU 92 Cb 0.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1yra h GLU 92 CO -0.24 0.11 -0.16 0.87 -2.18 0.00 0.00 179.01 177.41 1yra h LYS 93 N 0.00 0.00 -0.04 1.92 1.57 -0.89 -3.35 116.57 115.78 1yra h LYS 93 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yra h LYS 93 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1yra h LYS 93 CO 0.01 0.05 0.00 0.39 -0.57 0.00 0.00 179.45 179.34 1yra n GLU 94 N -3.07 1.04 -4.18 3.15 1.02 -0.80 -4.35 120.64 113.45 1yra n GLU 94 Ca 0.03 -1.38 -0.11 0.00 -0.02 0.00 0.00 57.16 55.69 1yra n GLU 94 Cb 0.56 -1.27 -0.10 0.00 -0.02 0.00 0.00 31.44 30.61 1yra n GLU 94 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1yra s ASN 95 N -1.15 1.05 -0.06 1.62 0.01 -0.79 -4.64 114.94 110.99 1yra s ASN 95 Ca 0.17 -1.05 -0.25 0.00 -0.71 0.00 0.00 52.86 51.02 1yra s ASN 95 Cb 0.12 0.12 -0.23 0.00 0.41 0.00 0.00 41.25 41.67 1yra s ASN 95 CO 0.17 -0.51 1.04 0.44 -1.51 0.00 0.00 177.10 176.73 1yra h ASP 96 N 2.92 0.17 -4.09 -1.22 3.32 -1.11 -3.38 116.42 113.02 1yra h ASP 96 Ca -0.35 -0.76 -0.62 0.00 0.02 0.00 0.00 57.03 55.32 1yra h ASP 96 Cb 1.17 -0.05 -0.31 0.00 0.22 0.00 0.00 39.33 40.36 1yra h ASP 96 CO 0.64 0.90 -0.86 -0.31 -1.72 0.00 0.00 179.24 177.89 1yra s TYR 97 N -3.20 2.02 -0.26 4.55 1.51 -0.96 -0.00 117.35 121.00 1yra s TYR 97 Ca -0.16 -0.53 -0.03 0.00 -1.01 0.00 0.00 57.07 55.34 1yra s TYR 97 Cb 0.01 -1.33 0.02 0.00 -0.11 0.00 0.00 41.96 40.55 1yra s TYR 97 CO 0.73 -0.15 -0.03 0.08 -1.11 0.00 0.00 175.55 175.07 1yra s VAL 98 N -0.18 3.13 -0.25 0.71 1.01 -0.49 -0.51 120.40 123.82 1yra s VAL 98 Ca -0.00 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 1yra s VAL 98 Cb -0.11 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1yra s VAL 98 CO 0.02 0.18 0.25 -0.76 0.00 0.00 0.00 175.10 174.78 1yra s LEU 99 N 1.37 4.08 -0.18 3.92 1.43 0.58 -1.14 118.68 128.73 1yra s LEU 99 Ca 0.01 0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 1yra s LEU 99 Cb -0.17 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 1yra s LEU 99 CO -0.03 -0.04 -0.04 -0.63 0.23 0.00 0.00 176.35 175.83 1yra s ILE 100 N 1.51 3.61 -0.28 -0.59 1.01 0.64 -0.33 121.20 126.77 1yra s ILE 100 Ca 0.11 -0.44 -0.09 0.00 0.00 0.00 0.00 60.65 60.22 1yra s ILE 100 Cb -0.15 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 1yra s ILE 100 CO 0.08 0.46 0.14 -0.62 0.00 0.00 0.00 174.94 175.00 1yra s ASP 101 N 0.86 5.60 0.60 3.58 -1.08 0.77 -1.35 116.67 125.65 1yra s ASP 101 Ca -0.01 -0.19 -0.00 0.00 -0.52 0.00 0.00 52.55 51.83 1yra s ASP 101 Cb -0.15 -2.03 0.05 0.00 -1.46 0.00 0.00 42.92 39.34 1yra s ASP 101 CO 0.01 -0.07 0.84 0.42 0.52 0.00 0.00 175.17 176.89 1yra s THR 102 N 1.68 2.53 0.68 1.71 -4.23 -1.21 -1.33 115.64 115.47 1yra s THR 102 Ca 0.06 -0.59 -0.17 0.00 -1.18 0.00 0.00 61.69 59.82 1yra s THR 102 Cb -0.16 -2.94 -0.05 0.00 1.34 0.00 0.00 72.50 70.70 1yra s THR 102 CO 0.07 0.00 0.56 -2.65 -0.54 0.00 0.00 174.62 172.07 1yra n PRO 103 N -2.50 0.39 -0.07 3.99 -0.02 -1.26 -4.32 135.00 131.21 1yra n PRO 103 Ca 0.09 0.17 -0.04 0.00 -2.02 0.00 0.00 63.50 61.70 1yra n PRO 103 Cb 0.60 -1.83 0.17 0.00 -0.02 0.00 0.00 33.50 32.42 1yra n PRO 103 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1yra h GLY 104 N -0.18 0.76 -7.14 -1.23 0.00 -1.93 -3.36 103.07 90.00 1yra h GLY 104 Ca -0.46 -0.54 -0.65 0.00 0.00 0.00 0.00 47.33 45.69 1yra h GLY 104 CO 0.44 0.50 0.23 1.20 0.00 0.00 0.00 176.54 178.91 1yra s GLN 105 N -4.84 3.30 0.40 4.80 -1.52 -1.26 -2.11 119.66 118.43 1yra s GLN 105 Ca -0.09 -0.35 0.23 0.00 -1.95 0.00 0.00 55.36 53.20 1yra s GLN 105 Cb 0.14 -3.98 1.26 0.00 -0.22 0.00 0.00 33.01 30.22 1yra s GLN 105 CO 0.81 -1.12 1.66 1.98 -0.25 0.00 0.00 175.29 178.36 1yra h MET 106 N 8.97 0.20 0.00 2.91 1.85 -1.71 -0.52 114.93 126.63 1yra h MET 106 Ca -0.26 -0.01 -0.13 0.00 -0.61 0.00 0.00 59.70 58.70 1yra h MET 106 Cb 1.09 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 33.06 1yra h MET 106 CO 0.94 0.14 -0.61 1.05 -0.40 0.00 0.00 176.91 178.03 1yra h GLU 107 N 0.21 0.00 -0.67 0.39 4.11 -1.92 0.31 114.58 117.01 1yra h GLU 107 Ca 0.75 0.00 0.09 0.00 0.07 0.00 0.00 59.36 60.27 1yra h GLU 107 Cb 2.08 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 31.26 1yra h GLU 107 CO -0.46 0.61 0.32 1.15 0.07 0.00 0.00 179.01 180.69 1yra h THR 108 N 0.00 0.85 -0.19 -1.06 2.02 -1.47 0.68 112.91 113.74 1yra h THR 108 Ca -0.01 -0.19 -0.20 0.00 0.77 0.00 0.00 66.41 66.78 1yra h THR 108 Cb 1.09 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1yra h THR 108 CO 0.08 0.10 -0.69 0.15 0.37 0.00 0.00 175.52 175.53 1yra h PHE 109 N 0.56 0.99 0.00 3.16 3.57 -1.30 -2.80 116.94 121.13 1yra h PHE 109 Ca 0.33 -0.41 -0.12 0.00 3.53 0.00 0.00 57.97 61.30 1yra h PHE 109 Cb 0.34 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1yra h PHE 109 CO -0.12 1.22 -0.56 -0.07 -2.23 0.00 0.00 178.31 176.56 1yra h LEU 110 N 0.54 0.00 0.00 0.59 3.38 -0.64 -3.31 115.31 115.87 1yra h LEU 110 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1yra h LEU 110 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1yra h LEU 110 CO 0.14 0.56 -0.74 0.49 0.09 0.00 0.00 178.44 178.98 1yra n PHE 111 N -3.26 0.00 -3.47 1.13 3.72 0.20 -4.85 117.46 110.93 1yra n PHE 111 Ca 0.02 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.04 1yra n PHE 111 Cb 0.75 -0.07 -0.06 0.00 -0.94 0.00 0.00 39.48 39.16 1yra n PHE 111 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1yra s HIS 112 N -2.02 3.72 0.42 1.38 2.46 -1.06 -4.98 115.29 115.22 1yra s HIS 112 Ca 0.01 1.01 0.23 0.00 0.47 0.00 0.00 55.06 56.77 1yra s HIS 112 Cb 0.05 -2.32 1.22 0.00 -0.13 0.00 0.00 32.58 31.40 1yra s HIS 112 CO 0.30 0.61 1.74 1.49 -2.47 0.00 0.00 174.74 176.41 1yra h GLU 113 N 4.83 0.28 -0.80 2.88 4.81 -1.91 -1.49 114.58 123.18 1yra h GLU 113 Ca -0.51 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 1yra h GLU 113 Cb 1.22 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 1yra h GLU 113 CO 0.63 0.18 0.36 0.35 -0.73 0.00 0.00 179.01 179.80 1yra h PHE 114 N 0.29 1.17 0.02 0.92 3.57 -1.90 -0.42 116.94 120.59 1yra h PHE 114 Ca 0.64 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 62.07 1yra h PHE 114 Cb 1.81 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 40.19 1yra h PHE 114 CO -0.00 0.86 -0.01 0.78 -2.23 0.00 0.00 178.31 177.71 1yra h GLY 115 N 1.17 -0.03 0.99 2.40 0.00 -1.44 -2.84 103.07 103.33 1yra h GLY 115 Ca 0.27 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 1yra h GLY 115 CO -0.03 -0.01 -0.04 -2.08 0.00 0.00 0.00 176.54 174.38 1yra h VAL 116 N -0.70 0.93 -0.57 4.60 2.07 -1.39 -2.13 116.25 119.06 1yra h VAL 116 Ca -0.00 -0.02 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 1yra h VAL 116 Cb 0.65 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1yra h VAL 116 CO 0.01 0.00 -0.04 0.03 0.02 0.00 0.00 177.57 177.59 1yra h ARG 117 N -0.11 1.01 0.01 1.57 3.08 -1.20 -1.15 114.38 117.60 1yra h ARG 117 Ca -0.01 -0.33 0.02 0.00 0.07 0.00 0.00 59.98 59.73 1yra h ARG 117 Cb 0.09 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1yra h ARG 117 CO 0.02 1.01 -0.14 1.25 -1.07 0.00 0.00 179.97 181.04 1yra h LEU 118 N 0.92 -0.41 -1.16 3.04 5.85 -1.46 -2.27 115.31 119.82 1yra h LEU 118 Ca 0.16 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1yra h LEU 118 Cb 0.58 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1yra h LEU 118 CO 0.04 -0.20 0.52 0.24 -0.34 0.00 0.00 178.44 178.70 1yra h MET 119 N -0.25 1.09 -0.79 1.25 2.86 -1.20 -0.61 114.93 117.29 1yra h MET 119 Ca 0.04 -0.08 0.13 0.00 -2.06 0.00 0.00 59.70 57.74 1yra h MET 119 Cb 0.30 -0.24 -0.06 0.00 0.06 0.00 0.00 31.60 31.66 1yra h MET 119 CO -0.13 0.74 0.52 1.49 1.06 0.00 0.00 176.91 180.59 1yra h GLU 120 N 1.12 0.53 -0.23 1.72 4.81 -0.95 -2.93 114.58 118.65 1yra h GLU 120 Ca 0.30 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1yra h GLU 120 Cb -0.10 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.16 1yra h GLU 120 CO -0.06 0.35 0.00 0.09 -0.73 0.00 0.00 179.01 178.66 1yra n ASN 121 N -4.51 3.13 -4.89 1.04 4.13 -0.28 -4.94 115.26 108.95 1yra n ASN 121 Ca 0.15 -1.94 -0.33 0.00 1.68 0.00 0.00 54.58 54.14 1yra n ASN 121 Cb 0.46 -0.14 -0.05 0.00 -1.54 0.00 0.00 39.78 38.51 1yra n ASN 121 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1yra s LEU 122 N -1.56 4.31 -0.52 3.41 1.43 -0.97 -5.05 118.68 119.74 1yra s LEU 122 Ca 0.32 0.57 -0.27 0.00 -1.03 0.00 0.00 54.13 53.71 1yra s LEU 122 Cb 0.20 -3.08 0.03 0.00 0.03 0.00 0.00 46.19 43.37 1yra s LEU 122 CO 0.28 0.13 1.08 -2.16 0.23 0.00 0.00 176.35 175.91 1yra s PRO 123 N -2.33 3.56 -1.29 1.29 0.05 -1.26 -4.42 135.00 130.60 1yra s PRO 123 Ca 0.36 0.27 -0.24 0.00 0.05 0.00 0.00 61.00 61.44 1yra s PRO 123 Cb -0.13 -3.96 0.03 0.00 0.05 0.00 0.00 34.50 30.49 1yra s PRO 123 CO 0.22 -1.45 0.54 0.66 0.05 0.00 0.00 177.00 177.02 1yra n TYR 124 N 7.83 -1.45 -2.08 0.56 4.01 -1.26 -4.82 117.16 119.94 1yra n TYR 124 Ca 0.08 0.27 -0.33 0.00 -0.16 0.00 0.00 57.90 57.76 1yra n TYR 124 Cb 0.49 -2.95 0.01 0.00 -0.31 0.00 0.00 39.34 36.58 1yra n TYR 124 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1yra s PRO 125 N -7.18 3.28 -0.26 -0.72 0.04 -1.26 -4.69 135.00 124.21 1yra s PRO 125 Ca 0.36 1.32 -0.06 0.00 0.04 0.00 0.00 61.00 62.66 1yra s PRO 125 Cb -0.18 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 1yra s PRO 125 CO 0.96 -0.85 0.03 -1.17 0.04 0.00 0.00 177.00 176.01 1yra s LEU 126 N -4.34 3.43 -0.06 -3.56 2.96 0.37 -4.27 118.68 113.20 1yra s LEU 126 Ca 0.66 -0.51 -0.24 0.00 -0.22 0.00 0.00 54.13 53.83 1yra s LEU 126 Cb -0.18 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1yra s LEU 126 CO 0.34 -0.10 0.71 -0.69 -1.32 0.00 0.00 176.35 175.29 1yra s VAL 127 N 1.51 5.03 -0.33 1.68 1.01 -0.32 -0.59 120.40 128.40 1yra s VAL 127 Ca 0.04 1.46 -0.06 0.00 0.00 0.00 0.00 61.98 63.42 1yra s VAL 127 Cb -0.16 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.21 1yra s VAL 127 CO 0.01 0.26 0.10 -0.69 0.00 0.00 0.00 175.10 174.77 1yra s VAL 128 N 0.76 3.78 -0.54 2.92 1.01 0.18 -1.03 120.40 127.48 1yra s VAL 128 Ca 0.38 -1.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.11 1yra s VAL 128 Cb -0.18 -3.11 0.08 0.00 0.00 0.00 0.00 36.38 33.18 1yra s VAL 128 CO 0.18 -0.13 0.61 -0.47 0.00 0.00 0.00 175.10 175.29 1yra s TYR 129 N 1.41 3.08 0.14 5.22 5.04 -0.05 -1.43 117.35 130.76 1yra s TYR 129 Ca -0.01 -0.83 -0.14 0.00 -2.44 0.00 0.00 57.07 53.65 1yra s TYR 129 Cb -0.19 -3.69 -0.07 0.00 0.35 0.00 0.00 41.96 38.36 1yra s TYR 129 CO 0.03 -1.09 0.55 0.96 -1.34 0.00 0.00 175.55 174.65 1yra s ILE 130 N 2.40 4.86 0.15 3.14 -4.36 -0.35 -0.58 121.20 126.45 1yra s ILE 130 Ca 0.11 0.85 0.10 0.00 -0.26 0.00 0.00 60.65 61.45 1yra s ILE 130 Cb -0.23 -3.74 -0.04 0.00 1.25 0.00 0.00 42.46 39.70 1yra s ILE 130 CO 0.08 0.27 -0.24 -0.44 0.24 0.00 0.00 174.94 174.85 1yra s SER 131 N -1.67 3.16 -0.14 4.36 0.01 0.30 -4.44 113.70 115.28 1yra s SER 131 Ca 0.37 -0.78 -0.29 0.00 1.31 0.00 0.00 55.95 56.55 1yra s SER 131 Cb -0.15 -0.21 -0.01 0.00 0.21 0.00 0.00 66.02 65.86 1yra s SER 131 CO 0.19 0.12 1.06 -0.62 0.41 0.00 0.00 173.24 174.40 1yra s ASP 132 N -2.25 7.16 0.64 2.44 -1.08 -1.26 -1.62 116.67 120.70 1yra s ASP 132 Ca 0.15 1.53 0.37 0.00 -0.52 0.00 0.00 52.55 54.08 1yra s ASP 132 Cb -0.09 -2.55 2.06 0.00 -1.46 0.00 0.00 42.92 40.88 1yra s ASP 132 CO 0.07 -0.55 2.22 -0.65 0.52 0.00 0.00 175.17 176.78 1yra h PRO 133 N 7.31 0.00 -0.24 4.34 0.11 -1.93 -2.75 132.00 138.84 1yra h PRO 133 Ca -0.28 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.90 1yra h PRO 133 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1yra h PRO 133 CO 0.90 0.00 0.22 1.49 -0.21 0.00 0.00 178.00 180.40 1yra h GLU 134 N 0.00 0.00 0.00 1.05 4.81 -1.95 -0.20 114.58 118.29 1yra h GLU 134 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1yra h GLU 134 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1yra h GLU 134 CO -0.00 0.00 0.00 0.44 -0.73 0.00 0.00 179.01 178.72 1yra n ILE 135 N -4.05 0.22 -3.03 2.32 -5.35 -1.04 -4.52 119.36 103.92 1yra n ILE 135 Ca 0.03 0.06 -0.45 0.00 -0.27 0.00 0.00 62.75 62.12 1yra n ILE 135 Cb 0.36 -0.62 -0.02 0.00 -1.74 0.00 0.00 39.64 37.62 1yra n ILE 135 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1yra s LEU 136 N -2.93 5.48 -0.09 7.28 1.43 -0.09 -4.72 118.68 125.04 1yra s LEU 136 Ca 0.14 -2.26 0.03 0.00 -1.03 0.00 0.00 54.13 51.01 1yra s LEU 136 Cb 0.17 -2.35 -0.08 0.00 0.03 0.00 0.00 46.19 43.96 1yra s LEU 136 CO 0.46 -0.92 -0.05 0.29 0.23 0.00 0.00 176.35 176.36 1yra n LYS 137 N 5.84 1.09 -4.17 1.70 5.02 -1.26 -5.05 118.16 121.32 1yra n LYS 137 Ca 0.22 0.04 -0.11 0.00 -2.02 0.00 0.00 58.31 56.44 1yra n LYS 137 Cb 0.48 -1.20 -0.10 0.00 -0.02 0.00 0.00 35.03 34.19 1yra n LYS 137 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1yra s LYS 138 N -2.20 0.89 0.32 1.97 -2.85 -1.26 -5.05 119.74 111.55 1yra s LYS 138 Ca -0.10 -1.39 0.08 0.00 -1.00 0.00 0.00 55.97 53.56 1yra s LYS 138 Cb 0.03 -0.10 0.80 0.00 -2.06 0.00 0.00 37.83 36.50 1yra s LYS 138 CO 0.26 -0.09 1.77 -1.35 0.10 0.00 0.00 175.35 176.04 1yra h PRO 139 N 2.91 0.68 -0.43 1.78 0.11 -2.00 0.12 132.00 135.16 1yra h PRO 139 Ca -0.35 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 65.82 1yra h PRO 139 Cb 1.18 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1yra h PRO 139 CO 0.64 0.45 0.30 -0.91 -0.21 0.00 0.00 178.00 178.27 1yra h ASN 140 N 0.70 0.09 -0.11 -2.05 2.35 -1.98 -2.48 115.58 112.10 1yra h ASN 140 Ca 0.59 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 56.22 1yra h ASN 140 Cb 1.00 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 1yra h ASN 140 CO -0.38 0.05 -0.31 0.44 -1.65 0.00 0.00 177.43 175.58 1yra h ASP 141 N 0.10 0.61 -0.67 5.81 3.32 -1.09 -1.96 116.42 122.55 1yra h ASP 141 Ca 0.20 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1yra h ASP 141 Cb 0.67 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1yra h ASP 141 CO -0.02 0.89 0.11 1.88 -1.72 0.00 0.00 179.24 180.38 1yra h TYR 142 N 0.51 1.18 0.31 4.55 0.05 -1.49 -1.82 116.97 120.26 1yra h TYR 142 Ca 0.06 -0.16 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 1yra h TYR 142 Cb 0.79 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 38.21 1yra h TYR 142 CO 0.03 0.98 -0.15 0.00 -1.05 0.00 0.00 178.16 177.97 1yra h PHE 144 N -0.50 -0.06 -0.01 0.00 3.57 -1.18 0.29 116.94 119.06 1yra h PHE 144 Ca -0.04 0.05 -0.18 0.00 3.53 0.00 0.00 57.97 61.33 1yra h PHE 144 Cb 0.37 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1yra h PHE 144 CO -0.04 -0.19 -0.79 0.28 -2.23 0.00 0.00 178.31 175.34 1yra h VAL 145 N 0.11 1.49 0.14 1.41 2.07 -1.28 -1.04 116.25 119.15 1yra h VAL 145 Ca 0.35 -2.50 -0.28 0.00 0.82 0.00 0.00 66.70 65.09 1yra h VAL 145 Cb 0.58 2.36 0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1yra h VAL 145 CO -0.58 0.72 -1.26 0.03 0.02 0.00 0.00 177.57 176.51 1yra h ARG 146 N 0.08 0.35 -0.40 1.57 2.47 -0.66 -2.90 114.38 114.90 1yra h ARG 146 Ca -0.03 -0.56 -0.02 0.00 -1.26 0.00 0.00 59.98 58.11 1yra h ARG 146 Cb 1.38 0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 29.89 1yra h ARG 146 CO 0.11 1.26 0.15 0.35 0.56 0.00 0.00 179.97 182.40 1yra h PHE 147 N 0.11 0.62 -0.69 3.04 3.04 -0.43 -2.51 116.94 120.11 1yra h PHE 147 Ca -0.15 -0.05 0.15 0.00 3.98 0.00 0.00 57.97 61.90 1yra h PHE 147 Cb 1.97 -0.18 -0.11 0.00 2.56 0.00 0.00 35.95 40.19 1yra h PHE 147 CO 0.08 0.55 0.11 0.35 -2.02 0.00 0.00 178.31 177.38 1yra h PHE 148 N 0.50 0.16 -0.79 0.41 3.57 -1.22 0.15 116.94 119.72 1yra h PHE 148 Ca 0.13 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1yra h PHE 148 Cb 0.20 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 1yra h PHE 148 CO 0.00 -0.12 0.49 0.00 -2.23 0.00 0.00 178.31 176.46 1yra h ALA 149 N 1.59 1.06 -0.58 2.41 0.00 -1.36 0.16 119.26 122.54 1yra h ALA 149 Ca 0.38 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.30 1yra h ALA 149 Cb 0.64 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1yra h ALA 149 CO -0.52 0.27 0.35 1.25 0.00 0.00 0.00 179.25 180.60 1yra h LEU 150 N 0.94 0.57 -1.20 0.00 5.85 -0.47 -0.97 115.31 120.03 1yra h LEU 150 Ca 0.33 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.02 1yra h LEU 150 Cb 0.08 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1yra h LEU 150 CO -0.14 0.39 0.10 -0.07 -0.34 0.00 0.00 178.44 178.38 1yra h LEU 151 N 0.69 0.61 -0.15 2.25 4.07 0.15 -1.67 115.31 121.26 1yra h LEU 151 Ca 0.24 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 1yra h LEU 151 Cb 0.04 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 1yra h LEU 151 CO -0.11 0.61 0.05 0.40 -1.08 0.00 0.00 178.44 178.31 1yra h ILE 152 N 0.64 1.18 -0.59 1.22 2.04 -0.14 -0.69 117.51 121.18 1yra h ILE 152 Ca 0.15 -0.57 0.12 0.00 1.00 0.00 0.00 64.86 65.56 1yra h ILE 152 Cb 0.25 1.27 -0.10 0.00 -0.74 0.00 0.00 36.82 37.50 1yra h ILE 152 CO -0.00 0.17 -0.07 -0.78 0.00 0.00 0.00 178.15 177.48 1yra h ASP 153 N 0.07 -0.39 -0.29 1.72 1.82 -0.73 0.30 116.42 118.92 1yra h ASP 153 Ca 0.05 0.16 -0.11 0.00 -0.39 0.00 0.00 57.03 56.73 1yra h ASP 153 Cb 0.23 0.31 -0.00 0.00 0.68 0.00 0.00 39.33 40.54 1yra h ASP 153 CO -0.00 -0.15 -0.26 0.25 -1.61 0.00 0.00 179.24 177.47 1yra h LEU 154 N 0.06 0.73 -0.18 2.28 5.85 -1.13 0.83 115.31 123.75 1yra h LEU 154 Ca 0.30 -0.46 -0.22 0.00 0.84 0.00 0.00 57.88 58.33 1yra h LEU 154 Cb 0.47 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.30 1yra h LEU 154 CO -0.55 1.04 -0.78 -0.09 -0.34 0.00 0.00 178.44 177.73 1yra h ARG 155 N 0.43 0.77 0.00 1.25 9.65 -0.59 -3.26 114.38 122.62 1yra h ARG 155 Ca 0.05 -0.63 0.00 0.00 -1.10 0.00 0.00 59.98 58.30 1yra h ARG 155 Cb 0.83 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.54 1yra h ARG 155 CO 0.07 1.23 -0.96 1.28 2.80 0.00 0.00 179.97 184.39 1yra n LEU 156 N -3.93 0.65 -3.32 3.80 4.77 0.99 -4.97 117.00 114.99 1yra n LEU 156 Ca -0.07 0.11 -0.18 0.00 -0.03 0.00 0.00 56.01 55.84 1yra n LEU 156 Cb 0.74 -0.11 0.08 0.00 -2.33 0.00 0.00 43.42 41.81 1yra n LEU 156 CO 0.53 -0.03 0.15 0.61 -1.33 0.00 0.00 177.39 177.32 1yra n GLY 157 N 1.32 -0.36 3.29 -0.72 0.00 0.29 -4.58 105.19 104.43 1yra n GLY 157 Ca 0.02 0.11 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 1yra n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yra s ALA 158 N -3.32 -0.98 0.18 4.61 0.00 -1.06 -5.00 121.76 116.19 1yra s ALA 158 Ca 0.21 0.82 -0.33 0.00 0.00 0.00 0.00 51.96 52.66 1yra s ALA 158 Cb -0.09 -0.30 -0.14 0.00 0.00 0.00 0.00 23.12 22.58 1yra s ALA 158 CO 0.68 -0.24 1.42 2.41 0.00 0.00 0.00 175.76 180.04 1yra n THR 159 N 2.04 0.49 -4.12 0.00 -1.04 -1.26 -4.33 114.28 106.05 1yra n THR 159 Ca -0.17 -0.12 -0.24 0.00 -2.04 0.00 0.00 64.05 61.48 1yra n THR 159 Cb 0.57 -1.31 -0.17 0.00 -1.82 0.00 0.00 70.33 67.60 1yra n THR 159 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1yra s THR 160 N 0.32 0.81 -0.36 12.58 2.01 -1.26 -1.17 115.64 128.57 1yra s THR 160 Ca 0.75 -0.22 -0.10 0.00 0.31 0.00 0.00 61.69 62.43 1yra s THR 160 Cb -0.73 -0.82 0.02 0.00 0.01 0.00 0.00 72.50 70.98 1yra s THR 160 CO 0.46 0.31 0.18 -0.63 -0.69 0.00 0.00 174.62 174.24 1yra s ILE 161 N 1.27 4.44 0.25 1.82 1.01 -0.20 -4.94 121.20 124.85 1yra s ILE 161 Ca -0.04 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 59.47 1yra s ILE 161 Cb -0.14 -3.45 -0.10 0.00 0.01 0.00 0.00 42.46 38.78 1yra s ILE 161 CO -0.02 -0.18 1.42 -2.16 0.00 0.00 0.00 174.94 174.00 1yra s PRO 162 N 1.54 4.28 0.02 2.79 0.04 -1.26 -0.87 135.00 141.53 1yra s PRO 162 Ca 0.02 2.29 -0.07 0.00 0.04 0.00 0.00 61.00 63.27 1yra s PRO 162 Cb -0.19 -3.11 -0.00 0.00 0.04 0.00 0.00 34.50 31.24 1yra s PRO 162 CO 0.06 -0.39 0.14 0.00 0.04 0.00 0.00 177.00 176.85 1yra s ALA 163 N -0.11 -0.28 -0.12 8.56 0.00 0.25 -2.04 121.76 128.02 1yra s ALA 163 Ca 0.58 -0.25 -0.05 0.00 0.00 0.00 0.00 51.96 52.24 1yra s ALA 163 Cb -0.41 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1yra s ALA 163 CO 0.44 -0.26 0.08 -0.51 0.00 0.00 0.00 175.76 175.51 1yra s LEU 164 N -1.67 4.02 0.48 0.00 1.43 0.13 -0.54 118.68 122.53 1yra s LEU 164 Ca -0.11 0.29 0.06 0.00 -1.03 0.00 0.00 54.13 53.34 1yra s LEU 164 Cb -0.05 -1.97 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 1yra s LEU 164 CO -0.01 0.35 0.29 0.21 0.23 0.00 0.00 176.35 177.43 1yra s ASN 165 N -0.70 4.59 -1.71 2.29 3.04 -0.64 0.22 114.94 122.02 1yra s ASN 165 Ca 0.12 -1.15 0.00 0.00 0.04 0.00 0.00 52.86 51.87 1yra s ASN 165 Cb -0.12 -0.02 0.00 0.00 -1.54 0.00 0.00 41.25 39.58 1yra s ASN 165 CO 0.03 -0.83 0.00 0.29 -3.04 0.00 0.00 177.10 173.54 1yra n LYS 166 N -1.52 -1.42 0.19 0.43 5.02 -1.04 -4.33 118.16 115.50 1yra n LYS 166 Ca -0.02 0.98 0.14 0.00 -2.02 0.00 0.00 58.31 57.39 1yra n LYS 166 Cb 0.64 -5.43 0.65 0.00 -0.02 0.00 0.00 35.03 30.87 1yra n LYS 166 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1yra h VAL 167 N 0.00 0.00 0.00 -0.18 -1.51 -1.72 -2.35 116.25 110.49 1yra h VAL 167 Ca -0.42 -0.15 -0.01 0.00 -1.23 0.00 0.00 66.70 64.89 1yra h VAL 167 Cb 1.29 0.86 -0.00 0.00 -2.13 0.00 0.00 31.29 31.31 1yra h VAL 167 CO 0.53 0.00 -0.04 -2.24 -1.23 0.00 0.00 177.57 174.59 1yra h ASP 168 N 0.00 0.00 -0.03 4.19 2.03 -1.89 -1.98 116.42 118.75 1yra h ASP 168 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1yra h ASP 168 Cb 0.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.70 1yra h ASP 168 CO 0.00 0.04 0.00 0.18 -1.03 0.00 0.00 179.24 178.43 1yra n LEU 169 N -3.31 1.10 -4.79 0.15 4.77 -0.88 -4.87 117.00 109.18 1yra n LEU 169 Ca -0.02 -0.38 -0.36 0.00 -0.03 0.00 0.00 56.01 55.22 1yra n LEU 169 Cb 0.20 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.20 1yra n LEU 169 CO 0.26 0.19 -0.17 -0.76 -1.33 0.00 0.00 177.39 175.58 1yra s LEU 170 N -1.94 4.28 0.83 2.23 1.43 -0.74 -5.08 118.68 119.68 1yra s LEU 170 Ca 0.40 0.34 -0.10 0.00 -1.03 0.00 0.00 54.13 53.73 1yra s LEU 170 Cb 0.21 -2.09 0.09 0.00 0.03 0.00 0.00 46.19 44.42 1yra s LEU 170 CO 0.33 0.27 1.11 -0.94 0.23 0.00 0.00 176.35 177.35 1yra s SER 171 N -0.19 3.86 0.44 2.29 1.04 -1.26 -4.78 113.70 115.10 1yra s SER 171 Ca 0.11 1.94 0.14 0.00 0.48 0.00 0.00 55.95 58.63 1yra s SER 171 Cb -0.11 -2.52 0.98 0.00 0.10 0.00 0.00 66.02 64.46 1yra s SER 171 CO 0.01 -2.47 1.98 -0.08 0.98 0.00 0.00 173.24 173.66 1yra h GLU 172 N -1.43 0.00 -0.06 4.02 4.57 -1.98 0.11 114.58 119.81 1yra h GLU 172 Ca -0.44 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.73 1yra h GLU 172 Cb 1.25 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1yra h GLU 172 CO 0.48 0.20 -0.01 0.93 -1.18 0.00 0.00 179.01 179.43 1yra h GLU 173 N 0.00 0.10 -0.27 1.92 3.07 -2.00 -2.31 114.58 115.09 1yra h GLU 173 Ca -0.00 -0.04 0.03 0.00 -0.50 0.00 0.00 59.36 58.85 1yra h GLU 173 Cb 0.35 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.22 1yra h GLU 173 CO 0.03 0.42 0.09 0.93 -1.40 0.00 0.00 179.01 179.07 1yra h GLU 174 N -0.22 0.20 -0.72 2.33 5.08 -1.72 -2.65 114.58 116.88 1yra h GLU 174 Ca 0.02 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 1yra h GLU 174 Cb 0.38 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.50 1yra h GLU 174 CO 0.00 0.13 0.31 0.87 -1.00 0.00 0.00 179.01 179.33 1yra h LYS 175 N 0.20 0.49 -0.10 2.33 1.57 -0.77 -2.26 116.57 118.05 1yra h LYS 175 Ca 0.12 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 1yra h LYS 175 Cb 0.10 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1yra h LYS 175 CO -0.13 0.32 -0.43 1.49 -0.57 0.00 0.00 179.45 180.13 1yra h GLU 176 N 0.50 0.22 -0.01 3.15 4.57 -1.15 -1.90 114.58 119.96 1yra h GLU 176 Ca 0.38 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1yra h GLU 176 Cb 0.50 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1yra h GLU 176 CO -0.34 0.62 0.00 -0.09 -1.18 0.00 0.00 179.01 178.02 1yra h ARG 177 N 0.18 0.01 -0.96 1.92 2.43 -1.08 -2.39 114.38 114.49 1yra h ARG 177 Ca 0.01 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.29 1yra h ARG 177 Cb 0.84 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.32 1yra h ARG 177 CO 0.07 0.20 0.61 0.45 -1.51 0.00 0.00 179.97 179.79 1yra h HIS 178 N -0.18 1.07 -0.44 2.20 3.86 -1.30 -2.68 115.15 117.69 1yra h HIS 178 Ca 0.00 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 1yra h HIS 178 Cb 0.19 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.30 1yra h HIS 178 CO -0.01 0.47 0.01 -0.09 0.86 0.00 0.00 177.93 179.17 1yra h ARG 179 N 0.97 0.76 -0.28 2.45 2.43 -1.07 0.49 114.38 120.13 1yra h ARG 179 Ca 0.45 -0.24 -0.14 0.00 -0.81 0.00 0.00 59.98 59.24 1yra h ARG 179 Cb 0.42 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1yra h ARG 179 CO -0.21 0.83 -0.40 1.57 -1.51 0.00 0.00 179.97 180.24 1yra h LYS 180 N 0.61 0.67 0.19 0.20 2.10 -1.10 -3.18 116.57 116.06 1yra h LYS 180 Ca 0.13 -0.35 -0.28 0.00 -2.00 0.00 0.00 60.65 58.15 1yra h LYS 180 Cb 0.47 0.01 0.02 0.00 -0.90 0.00 0.00 32.23 31.84 1yra h LYS 180 CO 0.02 0.96 -1.27 1.88 -2.00 0.00 0.00 179.45 179.04 1yra h TYR 181 N 0.55 0.72 0.09 0.07 0.05 -1.52 -3.31 116.97 113.62 1yra h TYR 181 Ca 0.05 -0.53 -0.26 0.00 0.05 0.00 0.00 58.73 58.04 1yra h TYR 181 Cb 0.93 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.64 1yra h TYR 181 CO 0.04 1.49 -1.20 0.35 -1.05 0.00 0.00 178.16 177.79 1yra h PHE 182 N -0.11 0.36 0.00 4.88 3.57 -0.05 -3.35 116.94 122.24 1yra h PHE 182 Ca -0.23 -0.27 -0.33 0.00 3.53 0.00 0.00 57.97 60.67 1yra h PHE 182 Cb 1.92 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 40.59 1yra h PHE 182 CO 0.15 1.21 -2.19 -0.85 -2.23 0.00 0.00 178.31 174.40 1yra n GLU 183 N -3.48 0.50 -2.34 1.11 0.28 -1.20 -4.87 120.64 110.64 1yra n GLU 183 Ca -0.07 0.15 -0.35 0.00 -0.16 0.00 0.00 57.16 56.73 1yra n GLU 183 Cb 1.00 -1.36 -0.04 0.00 1.43 0.00 0.00 31.44 32.48 1yra n GLU 183 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1yra s ASP 184 N -6.38 5.89 -0.79 -1.84 2.15 -1.24 -4.85 116.67 109.61 1yra s ASP 184 Ca -0.29 -1.01 -0.03 0.00 0.43 0.00 0.00 52.55 51.65 1yra s ASP 184 Cb 0.09 -2.56 0.23 0.00 -0.30 0.00 0.00 42.92 40.38 1yra s ASP 184 CO 0.44 -2.05 2.28 -0.38 -0.17 0.00 0.00 175.17 175.29 1yra n ILE 185 N 7.26 3.99 0.00 4.11 5.41 -1.26 -2.13 119.36 136.74 1yra n ILE 185 Ca 0.34 -4.10 0.00 0.00 1.00 0.00 0.00 62.75 59.98 1yra n ILE 185 Cb 0.49 -1.47 0.00 0.00 -0.71 0.00 0.00 39.64 37.95 1yra n ILE 185 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1yra n ASP 186 N 0.18 3.41 0.24 4.38 10.43 -1.26 -4.56 116.55 129.37 1yra n ASP 186 Ca 0.52 0.00 0.13 0.00 2.57 0.00 0.00 54.79 58.01 1yra n ASP 186 Cb 0.34 0.20 0.44 0.00 1.84 0.00 0.00 41.12 43.93 1yra n ASP 186 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 1yra h TYR 187 N 0.00 0.00 0.07 1.24 5.03 -1.76 -0.03 116.97 121.51 1yra h TYR 187 Ca 0.00 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.31 1yra h TYR 187 Cb 0.76 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.04 1yra h TYR 187 CO 0.00 0.09 -0.03 1.25 -1.32 0.00 0.00 178.16 178.15 1yra h LEU 188 N 0.00 -0.08 0.29 2.82 6.46 -1.66 -2.93 115.31 120.21 1yra h LEU 188 Ca -0.00 -0.24 -0.00 0.00 -0.12 0.00 0.00 57.88 57.52 1yra h LEU 188 Cb 0.77 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.70 1yra h LEU 188 CO 0.01 0.52 -0.41 0.74 -0.62 0.00 0.00 178.44 178.68 1yra h THR 189 N -1.00 0.00 -0.54 1.05 2.02 -1.80 0.19 112.91 112.83 1yra h THR 189 Ca -0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.22 1yra h THR 189 Cb 0.31 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.65 1yra h THR 189 CO 0.02 0.00 -0.32 0.00 0.37 0.00 0.00 175.52 175.59 1yra n ALA 190 N -2.75 -0.34 -0.22 6.16 0.00 -0.03 -0.63 120.51 122.69 1yra n ALA 190 Ca -0.09 0.46 0.02 0.00 0.00 0.00 0.00 53.44 53.83 1yra n ALA 190 Cb 0.36 0.01 0.14 0.00 0.00 0.00 0.00 19.45 19.95 1yra n ALA 190 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1yra h ARG 191 N 0.00 0.39 0.00 0.00 9.65 -1.07 -1.89 114.38 121.47 1yra h ARG 191 Ca 0.09 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 58.86 1yra h ARG 191 Cb 0.22 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 1yra h ARG 191 CO -0.50 0.26 -0.37 -0.07 2.80 0.00 0.00 179.97 182.08 1yra h LEU 192 N 0.40 0.00 -1.93 3.80 3.38 0.17 -2.63 115.31 118.50 1yra h LEU 192 Ca 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 1yra h LEU 192 Cb 0.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1yra h LEU 192 CO -0.36 0.37 -0.09 0.50 0.09 0.00 0.00 178.44 178.95 1yra h LYS 193 N 0.00 0.00 0.00 1.13 3.64 -0.21 -2.14 116.57 119.00 1yra h LYS 193 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1yra h LYS 193 Cb 0.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1yra h LYS 193 CO 0.05 0.09 0.00 -0.07 -2.27 0.00 0.00 179.45 177.25 1yra h LEU 194 N 0.00 0.00 -8.47 5.20 4.07 -1.44 -3.42 115.31 111.25 1yra h LEU 194 Ca -0.00 0.00 -0.67 0.00 0.08 0.00 0.00 57.88 57.29 1yra h LEU 194 Cb 0.19 0.00 -0.17 0.00 1.08 0.00 0.00 40.66 41.76 1yra h LEU 194 CO 0.01 0.00 0.10 -0.62 -1.08 0.00 0.00 178.44 176.85 1yra s ASP 195 N -5.04 6.26 0.00 -0.43 3.68 -0.80 -4.93 116.67 115.41 1yra s ASP 195 Ca 0.07 -0.67 0.23 0.00 2.13 0.00 0.00 52.55 54.30 1yra s ASP 195 Cb 0.09 -2.31 1.18 0.00 -1.45 0.00 0.00 42.92 40.44 1yra s ASP 195 CO 0.56 -0.86 1.78 -0.81 0.13 0.00 0.00 175.17 175.97 1yra n PRO 196 N 6.27 1.24 -1.60 4.34 -0.04 -1.26 -3.61 135.00 140.33 1yra n PRO 196 Ca -0.04 -0.35 -0.30 0.00 -0.04 0.00 0.00 63.50 62.77 1yra n PRO 196 Cb 0.46 -1.38 0.09 0.00 -0.04 0.00 0.00 33.50 32.63 1yra n PRO 196 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1yra s SER 197 N -1.70 4.61 0.16 3.54 1.04 -1.26 -4.80 113.70 115.28 1yra s SER 197 Ca 0.34 1.27 -0.18 0.00 0.48 0.00 0.00 55.95 57.86 1yra s SER 197 Cb 0.16 -2.01 0.08 0.00 0.10 0.00 0.00 66.02 64.36 1yra s SER 197 CO 0.27 -1.89 1.67 0.24 0.98 0.00 0.00 173.24 174.50 1yra h MET 198 N -1.04 -0.02 -0.32 4.02 2.86 -1.99 0.14 114.93 118.59 1yra h MET 198 Ca -0.47 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.15 1yra h MET 198 Cb 1.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.92 1yra h MET 198 CO 0.60 -0.01 0.12 0.37 1.06 0.00 0.00 176.91 179.05 1yra h GLN 199 N -0.02 0.48 -0.80 1.72 4.15 -1.94 -1.06 115.11 117.64 1yra h GLN 199 Ca 0.18 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 1yra h GLN 199 Cb 0.29 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.87 1yra h GLN 199 CO -0.39 0.49 0.37 0.78 -1.93 0.00 0.00 178.83 178.15 1yra h GLY 200 N 0.36 1.25 0.87 2.39 0.00 -1.68 0.20 103.07 106.47 1yra h GLY 200 Ca 0.11 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1yra h GLY 200 CO -0.01 0.59 -0.11 1.41 0.00 0.00 0.00 176.54 178.42 1yra h LEU 201 N 1.15 -0.29 -0.68 3.11 4.07 -0.45 0.77 115.31 122.97 1yra h LEU 201 Ca 0.28 0.03 -0.12 0.00 0.08 0.00 0.00 57.88 58.14 1yra h LEU 201 Cb 0.13 0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 1yra h LEU 201 CO -0.03 -0.18 -0.31 -0.03 -1.08 0.00 0.00 178.44 176.82 1yra h MET 202 N -0.26 0.68 0.21 1.13 4.05 -0.76 -0.16 114.93 119.82 1yra h MET 202 Ca 0.00 -0.31 -0.01 0.00 -0.28 0.00 0.00 59.70 59.11 1yra h MET 202 Cb 0.24 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 1yra h MET 202 CO -0.02 0.90 -0.10 0.00 0.23 0.00 0.00 176.91 177.92 1yra h ALA 203 N 1.08 -0.29 -0.78 0.39 0.00 -0.51 -0.17 119.26 118.99 1yra h ALA 203 Ca 0.07 -0.09 0.18 0.00 0.00 0.00 0.00 54.91 55.06 1yra h ALA 203 Cb 0.81 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.59 1yra h ALA 203 CO 0.07 -0.62 0.18 -0.92 0.00 0.00 0.00 179.25 177.96 1yra h TYR 204 N -0.37 0.28 0.10 0.00 5.03 -0.61 0.11 116.97 121.51 1yra h TYR 204 Ca -0.03 0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.32 1yra h TYR 204 Cb 0.28 -0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.56 1yra h TYR 204 CO -0.04 -0.12 -0.05 0.87 -1.32 0.00 0.00 178.16 177.50 1yra h LYS 205 N 0.25 -0.13 -0.12 1.82 1.57 -0.67 -1.93 116.57 117.36 1yra h LYS 205 Ca 0.45 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.22 1yra h LYS 205 Cb 0.81 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 1yra h LYS 205 CO -0.56 0.19 -0.01 0.52 -0.57 0.00 0.00 179.45 179.02 1yra h MET 206 N -0.46 0.17 0.00 3.15 2.86 -0.74 -1.67 114.93 118.24 1yra h MET 206 Ca -0.01 -0.02 -0.18 0.00 -2.06 0.00 0.00 59.70 57.43 1yra h MET 206 Cb 0.38 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1yra h MET 206 CO 0.02 0.21 -0.83 0.00 1.06 0.00 0.00 176.91 177.37 1yra h SER 208 N 0.03 0.67 -0.65 0.00 0.02 -0.95 -3.15 113.55 109.53 1yra h SER 208 Ca -0.02 -0.61 0.07 0.00 -0.84 0.00 0.00 61.79 60.40 1yra h SER 208 Cb 1.45 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.75 1yra h SER 208 CO 0.11 1.43 0.43 -0.03 -1.14 0.00 0.00 176.83 177.63 1yra h MET 209 N 0.22 0.58 -0.63 3.45 -1.53 -1.15 0.63 114.93 116.50 1yra h MET 209 Ca -0.14 -0.04 0.03 0.00 -3.44 0.00 0.00 59.70 56.12 1yra h MET 209 Cb 1.81 -0.13 -0.04 0.00 -0.55 0.00 0.00 31.60 32.69 1yra h MET 209 CO 0.21 0.39 0.38 0.52 0.14 0.00 0.00 176.91 178.54 1yra h MET 210 N 0.60 0.72 -0.13 0.39 2.86 -1.37 -1.02 114.93 116.97 1yra h MET 210 Ca 0.28 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.93 1yra h MET 210 Cb 0.34 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 31.77 1yra h MET 210 CO -0.09 0.48 -0.34 1.15 1.06 0.00 0.00 176.91 179.16 1yra h THR 211 N 0.74 0.25 0.00 2.22 2.02 -0.84 -0.26 112.91 117.05 1yra h THR 211 Ca 0.26 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.43 1yra h THR 211 Cb 0.05 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1yra h THR 211 CO -0.12 0.00 -0.04 1.05 0.37 0.00 0.00 175.52 176.78 1yra h GLU 212 N -0.42 0.00 0.00 6.66 4.11 -1.47 -3.24 114.58 120.22 1yra h GLU 212 Ca 0.09 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.28 1yra h GLU 212 Cb 0.57 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1yra h GLU 212 CO -0.36 0.04 -1.27 0.28 0.07 0.00 0.00 179.01 177.77 1yra h VAL 213 N 0.00 1.34 -2.36 -1.06 2.07 -0.19 -3.46 116.25 112.58 1yra h VAL 213 Ca -0.00 -3.09 -0.07 0.00 0.82 0.00 0.00 66.70 64.36 1yra h VAL 213 Cb 0.66 2.66 -0.23 0.00 -1.52 0.00 0.00 31.29 32.86 1yra h VAL 213 CO 0.01 0.76 -0.08 -0.22 0.02 0.00 0.00 177.57 178.06 1yra s LEU 214 N -6.45 -0.27 -0.72 2.57 2.96 -0.20 -5.06 118.68 111.51 1yra s LEU 214 Ca -0.01 1.16 -0.25 0.00 -0.22 0.00 0.00 54.13 54.81 1yra s LEU 214 Cb 0.09 1.91 -0.15 0.00 0.50 0.00 0.00 46.19 48.55 1yra s LEU 214 CO 0.82 -0.20 2.43 -2.65 -1.32 0.00 0.00 176.35 175.43 1yra n PRO 215 N 3.24 0.61 -1.18 0.98 -0.02 -1.26 -4.52 135.00 132.85 1yra n PRO 215 Ca -0.16 -0.26 -0.46 0.00 -2.02 0.00 0.00 63.50 60.60 1yra n PRO 215 Cb 0.56 -2.94 -0.07 0.00 -0.02 0.00 0.00 33.50 31.04 1yra n PRO 215 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1yra n PRO 216 N 8.47 0.00 -0.50 0.52 -0.02 -1.26 -4.89 135.00 137.32 1yra n PRO 216 Ca 0.48 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.68 1yra n PRO 216 Cb 0.38 -1.02 0.27 0.00 -0.02 0.00 0.00 33.50 33.11 1yra n PRO 216 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1yra s VAL 217 N 2.08 1.83 0.17 -1.45 1.01 -1.26 -5.00 120.40 117.79 1yra s VAL 217 Ca 0.71 0.00 -0.22 0.00 0.00 0.00 0.00 61.98 62.47 1yra s VAL 217 Cb -1.02 -2.06 -0.08 0.00 0.00 0.00 0.00 36.38 33.22 1yra s VAL 217 CO 0.55 0.00 0.72 -0.60 0.00 0.00 0.00 175.10 175.77 1yra s ARG 218 N -4.58 4.38 0.31 2.72 3.52 -1.26 -5.07 118.95 118.97 1yra s ARG 218 Ca 0.69 0.97 0.04 0.00 -0.13 0.00 0.00 55.73 57.30 1yra s ARG 218 Cb -0.23 -3.10 -0.02 0.00 -1.56 0.00 0.00 34.95 30.04 1yra s ARG 218 CO 0.63 0.51 0.46 0.08 -0.81 0.00 0.00 175.30 176.18 1yra s VAL 219 N -1.30 4.74 0.03 7.11 1.01 -1.26 -4.54 120.40 126.20 1yra s VAL 219 Ca 0.38 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.58 1yra s VAL 219 Cb -0.20 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1yra s VAL 219 CO 0.23 -0.32 -0.20 -0.76 0.00 0.00 0.00 175.10 174.05 1yra s LEU 220 N -4.16 2.15 -0.39 3.92 1.43 -0.87 -5.01 118.68 115.75 1yra s LEU 220 Ca 0.40 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 53.05 1yra s LEU 220 Cb -0.09 -0.95 0.11 0.00 0.03 0.00 0.00 46.19 45.29 1yra s LEU 220 CO 0.32 0.16 0.11 -0.31 0.23 0.00 0.00 176.35 176.86 1yra s TYR 221 N -0.75 3.57 0.19 0.29 2.02 -1.26 0.23 117.35 121.64 1yra s TYR 221 Ca 0.07 -3.03 0.06 0.00 -0.37 0.00 0.00 57.07 53.80 1yra s TYR 221 Cb -0.09 -2.88 -0.04 0.00 -0.40 0.00 0.00 41.96 38.56 1yra s TYR 221 CO 0.01 -0.89 0.12 -0.51 -1.57 0.00 0.00 175.55 172.71 1yra s LEU 222 N 0.60 3.71 -0.23 -1.29 1.43 0.13 -3.80 118.68 119.23 1yra s LEU 222 Ca 0.13 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1yra s LEU 222 Cb -0.21 -2.30 0.07 0.00 0.03 0.00 0.00 46.19 43.78 1yra s LEU 222 CO -0.06 0.04 0.00 -0.55 0.23 0.00 0.00 176.35 176.01 1yra s SER 223 N -3.28 3.52 0.60 2.29 0.15 -0.59 -2.17 113.70 114.22 1yra s SER 223 Ca 0.31 -1.12 0.34 0.00 0.70 0.00 0.00 55.95 56.18 1yra s SER 223 Cb -0.09 -0.92 1.83 0.00 -1.71 0.00 0.00 66.02 65.13 1yra s SER 223 CO 0.23 -0.29 2.02 0.00 1.20 0.00 0.00 173.24 176.40 1yra h ALA 224 N 8.08 1.15 0.00 5.45 0.00 -1.91 0.18 119.26 132.20 1yra h ALA 224 Ca -0.16 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1yra h ALA 224 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1yra h ALA 224 CO 0.39 -0.15 -0.72 -0.22 0.00 0.00 0.00 179.25 178.55 1yra h LYS 225 N 0.00 0.00 -0.01 0.00 3.11 -1.93 -3.43 116.57 114.31 1yra h LYS 225 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1yra h LYS 225 Cb 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.55 1yra h LYS 225 CO 0.00 0.29 -0.50 0.25 -2.81 0.00 0.00 179.45 176.68 1yra n THR 226 N -4.57 0.00 -0.76 1.00 -2.24 -1.17 -4.97 114.28 101.58 1yra n THR 226 Ca -0.14 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1yra n THR 226 Cb 0.38 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 1yra n THR 226 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1yra n ARG 227 N -0.82 0.00 -1.56 -0.78 1.74 0.63 -5.00 116.66 110.87 1yra n ARG 227 Ca 0.09 0.00 -0.50 0.00 -0.77 0.00 0.00 57.85 56.67 1yra n ARG 227 Cb 0.37 -2.06 -0.04 0.00 -1.02 0.00 0.00 32.46 29.71 1yra n ARG 227 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1yra n GLU 228 N -2.00 1.02 -0.30 5.56 2.13 -1.25 -1.76 120.64 124.03 1yra n GLU 228 Ca 0.00 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.18 1yra n GLU 228 Cb 0.00 -1.85 0.00 0.00 0.27 0.00 0.00 31.44 29.86 1yra n GLU 228 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1yra n GLY 229 N 2.01 1.79 0.23 8.31 0.00 -1.25 -1.54 105.19 114.74 1yra n GLY 229 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 1yra n GLY 229 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1yra h PHE 230 N 0.00 0.67 0.15 1.61 -1.00 -1.67 0.46 116.94 117.16 1yra h PHE 230 Ca 0.00 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 1yra h PHE 230 Cb 0.00 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.34 1yra h PHE 230 CO 0.00 0.40 -0.07 0.93 -1.61 0.00 0.00 178.31 177.96 1yra h GLU 231 N 0.72 -0.19 -0.52 1.51 3.07 -1.92 0.67 114.58 117.92 1yra h GLU 231 Ca 0.22 0.01 0.09 0.00 -0.50 0.00 0.00 59.36 59.18 1yra h GLU 231 Cb -0.03 0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 27.85 1yra h GLU 231 CO -0.07 -0.09 0.12 -0.44 -1.40 0.00 0.00 179.01 177.13 1yra h ASP 232 N -0.24 0.04 -0.86 1.42 3.45 -1.91 0.64 116.42 118.96 1yra h ASP 232 Ca -0.02 0.09 -0.03 0.00 0.43 0.00 0.00 57.03 57.50 1yra h ASP 232 Cb 0.19 0.11 -0.04 0.00 -0.56 0.00 0.00 39.33 39.04 1yra h ASP 232 CO 0.03 0.04 0.43 0.25 -1.57 0.00 0.00 179.24 178.42 1yra h LEU 233 N 0.26 1.11 -0.69 1.55 5.85 0.54 -0.82 115.31 123.12 1yra h LEU 233 Ca 0.26 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 1yra h LEU 233 Cb 0.35 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1yra h LEU 233 CO -0.33 0.92 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.57 1yra h GLU 234 N 1.22 0.97 0.01 1.25 4.81 0.20 -1.30 114.58 121.73 1yra h GLU 234 Ca 0.30 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1yra h GLU 234 Cb 0.10 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1yra h GLU 234 CO -0.04 0.98 -0.00 1.15 -0.73 0.00 0.00 179.01 180.37 1yra h THR 235 N 0.88 1.27 -0.71 0.32 2.02 0.50 -2.23 112.91 114.96 1yra h THR 235 Ca 0.15 -0.81 0.10 0.00 0.77 0.00 0.00 66.41 66.62 1yra h THR 235 Cb 0.58 1.82 -0.05 0.00 -1.74 0.00 0.00 68.15 68.76 1yra h THR 235 CO 0.03 0.21 0.47 -0.07 0.37 0.00 0.00 175.52 176.53 1yra h LEU 236 N -0.36 0.50 -0.58 2.58 3.38 -0.97 0.88 115.31 120.75 1yra h LEU 236 Ca -0.00 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1yra h LEU 236 Cb 0.35 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1yra h LEU 236 CO 0.00 0.30 -0.09 0.00 0.09 0.00 0.00 178.44 178.74 1yra h ALA 237 N 1.65 0.79 -0.34 1.53 0.00 -1.09 -0.76 119.26 121.03 1yra h ALA 237 Ca 0.33 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1yra h ALA 237 Cb 0.53 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1yra h ALA 237 CO -0.11 0.67 -0.42 -0.92 0.00 0.00 0.00 179.25 178.47 1yra h TYR 238 N 0.92 1.08 0.10 0.00 3.20 -0.33 -0.56 116.97 121.39 1yra h TYR 238 Ca 0.15 -0.34 0.00 0.00 3.14 0.00 0.00 58.73 61.68 1yra h TYR 238 Cb 0.66 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1yra h TYR 238 CO 0.04 1.16 -0.10 0.93 -1.64 0.00 0.00 178.16 178.56 1yra h GLU 239 N 0.68 -0.22 -0.99 1.82 5.08 -0.88 -0.68 114.58 119.39 1yra h GLU 239 Ca 0.04 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.57 1yra h GLU 239 Cb 1.02 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.22 1yra h GLU 239 CO 0.10 -0.15 0.61 1.25 -1.00 0.00 0.00 179.01 179.82 1yra h HIS 240 N -0.23 1.09 0.12 4.33 2.76 -1.03 0.38 115.15 122.57 1yra h HIS 240 Ca 0.01 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1yra h HIS 240 Cb 0.22 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 28.85 1yra h HIS 240 CO -0.12 0.34 -0.06 -0.92 -1.30 0.00 0.00 177.93 175.88 1yra h TYR 241 N 0.87 -0.15 -0.37 5.26 5.03 -0.31 -0.90 116.97 126.40 1yra h TYR 241 Ca 0.53 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.81 1yra h TYR 241 Cb 0.67 0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.98 1yra h TYR 241 CO -0.01 -0.09 0.12 0.00 -1.32 0.00 0.00 178.16 176.86 1yra h THR 243 N 0.45 0.99 0.00 0.00 2.02 -0.74 0.19 112.91 115.81 1yra h THR 243 Ca 0.12 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1yra h THR 243 Cb 0.24 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1yra h THR 243 CO -0.00 0.19 -0.10 0.00 0.37 0.00 0.00 175.52 175.98 1yra n GLY 245 N 1.36 -1.68 0.16 0.00 0.00 0.66 -4.31 105.19 101.39 1yra n GLY 245 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1yra n GLY 245 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1yra h ASP 246 N 0.00 -0.74 0.00 1.61 1.82 -1.74 -3.51 116.42 113.85 1yra h ASP 246 Ca 0.00 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 1yra h ASP 246 Cb 0.00 0.32 0.00 0.00 0.68 0.00 0.00 39.33 40.33 1yra h ASP 246 CO 0.00 -0.12 0.00 -0.11 -1.61 0.00 0.00 179.24 177.40