#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 0.00 -0.02 0.03 2.47 -1.99 -2.25 114.38 112.62 1yra h ARG 488 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1yra h ARG 488 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1yra h ARG 488 CO 0.00 0.00 -0.15 0.41 0.56 0.00 0.00 179.97 180.79 1yra n GLY 489 N -1.57 0.57 3.77 0.04 0.00 -1.26 -4.98 105.19 101.76 1yra n GLY 489 Ca 0.09 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.04 6.54 -0.73 1.61 0.01 -0.85 -4.97 113.70 113.26 1yra s SER 490 Ca 0.23 2.87 -0.03 0.00 1.31 0.00 0.00 55.95 60.34 1yra s SER 490 Cb 0.18 -2.66 0.19 0.00 0.21 0.00 0.00 66.02 63.94 1yra s SER 490 CO 0.37 -0.73 0.58 -1.00 0.41 0.00 0.00 173.24 172.86 1yra s HIS 491 N -0.96 3.59 0.46 2.43 3.76 -1.26 -4.91 115.29 118.40 1yra s HIS 491 Ca 0.52 -2.82 -0.24 0.00 -0.15 0.00 0.00 55.06 52.37 1yra s HIS 491 Cb -0.44 -3.22 -0.07 0.00 1.11 0.00 0.00 32.58 29.95 1yra s HIS 491 CO 0.57 -0.80 1.32 -1.01 -0.85 0.00 0.00 174.74 173.97 1yra s HIS 492 N -0.57 2.61 -0.18 1.40 3.76 -1.26 -5.00 115.29 116.05 1yra s HIS 492 Ca 0.21 1.39 -0.13 0.00 -0.15 0.00 0.00 55.06 56.38 1yra s HIS 492 Cb -0.15 -3.72 -0.05 0.00 1.11 0.00 0.00 32.58 29.78 1yra s HIS 492 CO -0.07 -2.40 0.25 -1.58 -0.85 0.00 0.00 174.74 170.09 1yra s HIS 493 N -1.30 3.42 -0.21 1.40 2.46 -1.26 -4.68 115.29 115.13 1yra s HIS 493 Ca 0.62 0.49 -0.09 0.00 0.47 0.00 0.00 55.06 56.55 1yra s HIS 493 Cb -0.39 -2.31 -0.05 0.00 -0.13 0.00 0.00 32.58 29.71 1yra s HIS 493 CO 0.48 0.20 0.11 -1.58 -2.47 0.00 0.00 174.74 171.49 1yra s HIS 494 N 0.60 3.31 -0.18 3.88 5.04 -1.26 -4.84 115.29 121.84 1yra s HIS 494 Ca 0.14 0.17 -0.29 0.00 -1.54 0.00 0.00 55.06 53.53 1yra s HIS 494 Cb -0.13 -2.16 -0.04 0.00 0.04 0.00 0.00 32.58 30.30 1yra s HIS 494 CO 0.03 0.15 1.70 -1.58 -2.34 0.00 0.00 174.74 172.69 1yra s HIS 495 N 0.60 1.95 0.23 3.88 2.46 -1.26 -4.93 115.29 118.22 1yra s HIS 495 Ca 0.06 0.43 -0.08 0.00 0.47 0.00 0.00 55.06 55.94 1yra s HIS 495 Cb -0.12 -3.99 0.20 0.00 -0.13 0.00 0.00 32.58 28.54 1yra s HIS 495 CO 0.01 -3.33 1.90 1.25 -2.47 0.00 0.00 174.74 172.09 1yra h HIS 496 N 10.96 1.10 -0.05 3.88 2.76 -1.98 -2.57 115.15 129.26 1yra h HIS 496 Ca -0.36 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 57.74 1yra h HIS 496 Cb 1.17 -0.37 -0.03 0.00 1.55 0.00 0.00 27.41 29.73 1yra h HIS 496 CO 0.91 0.70 -0.08 0.41 -1.30 0.00 0.00 177.93 178.57 1yra n GLY 497 N -1.31 2.78 2.78 5.26 0.00 -1.26 -4.81 105.19 108.62 1yra n GLY 497 Ca 0.09 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 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 0.16 -0.02 0.24 1.61 -2.45 -0.97 -5.13 119.30 112.73 1yra s MET 498 Ca 0.23 0.32 -0.31 0.00 -1.25 0.00 0.00 55.69 54.68 1yra s MET 498 Cb 0.12 -0.31 -0.14 0.00 1.25 0.00 0.00 34.83 35.75 1yra s MET 498 CO -0.01 -0.23 1.30 0.00 1.05 0.00 0.00 175.02 177.14 1yra n ALA 499 N 4.64 0.55 -1.96 4.11 0.00 -1.26 -4.87 120.51 121.71 1yra n ALA 499 Ca -0.18 0.42 -0.25 0.00 0.00 0.00 0.00 53.44 53.43 1yra n ALA 499 Cb 0.50 -2.19 0.11 0.00 0.00 0.00 0.00 19.45 17.87 1yra n ALA 499 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1yra s SER 500 N 0.09 4.33 -0.30 0.00 1.04 -1.24 -4.97 113.70 112.65 1yra s SER 500 Ca 0.67 0.03 -0.09 0.00 0.48 0.00 0.00 55.95 57.04 1yra s SER 500 Cb -0.70 -0.47 -0.01 0.00 0.10 0.00 0.00 66.02 64.94 1yra s SER 500 CO 0.52 -1.89 0.14 -0.04 0.98 0.00 0.00 173.24 172.95 1yra s MET 1 N -5.28 3.43 -0.26 4.02 1.00 0.47 -4.99 119.30 117.69 1yra s MET 1 Ca 0.65 -0.65 -0.15 0.00 0.00 0.00 0.00 55.69 55.54 1yra s MET 1 Cb -0.07 -3.53 -0.04 0.00 0.00 0.00 0.00 34.83 31.19 1yra s MET 1 CO 0.46 -0.36 0.40 0.42 0.00 0.00 0.00 175.02 175.93 1yra s ILE 2 N 1.62 5.16 -0.12 2.53 1.01 -1.26 -0.69 121.20 129.46 1yra s ILE 2 Ca 0.05 0.64 0.03 0.00 0.00 0.00 0.00 60.65 61.37 1yra s ILE 2 Cb -0.17 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.58 1yra s ILE 2 CO 0.06 0.15 -0.23 -0.69 0.00 0.00 0.00 174.94 174.24 1yra s VAL 3 N 2.04 2.09 -0.13 2.92 1.01 -0.34 -0.51 120.40 127.48 1yra s VAL 3 Ca 0.16 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.17 1yra s VAL 3 Cb -0.16 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1yra s VAL 3 CO 0.10 0.56 -0.19 -0.69 0.00 0.00 0.00 175.10 174.87 1yra s VAL 4 N 0.52 2.41 -0.27 2.92 1.01 0.44 -0.01 120.40 127.42 1yra s VAL 4 Ca -0.14 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 60.86 1yra s VAL 4 Cb -0.17 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 1yra s VAL 4 CO 0.05 0.54 0.18 -0.36 0.00 0.00 0.00 175.10 175.50 1yra s PHE 5 N 0.64 3.24 0.02 5.22 0.08 -0.15 -0.49 117.98 126.54 1yra s PHE 5 Ca -0.10 0.13 0.06 0.00 0.12 0.00 0.00 56.93 57.14 1yra s PHE 5 Cb -0.16 -2.35 -0.02 0.00 -0.57 0.00 0.00 43.02 39.92 1yra s PHE 5 CO 0.02 -0.11 -0.17 0.54 -0.10 0.00 0.00 175.22 175.40 1yra s VAL 6 N 1.59 1.37 -0.26 -0.44 0.11 -0.04 -3.62 120.40 119.13 1yra s VAL 6 Ca 0.07 -0.98 -0.33 0.00 -2.93 0.00 0.00 61.98 57.81 1yra s VAL 6 Cb -0.15 -1.19 0.17 0.00 -1.53 0.00 0.00 36.38 33.67 1yra s VAL 6 CO 0.09 0.19 1.31 -0.83 -3.33 0.00 0.00 175.10 172.53 1yra s GLY 7 N -0.91 -0.11 0.76 6.54 0.00 -1.26 -0.56 107.32 111.78 1yra s GLY 7 Ca 0.05 2.22 -0.15 0.00 0.00 0.00 0.00 44.72 46.85 1yra s GLY 7 CO 0.01 0.83 1.22 -1.08 0.00 0.00 0.00 173.10 174.08 1yra s THR 8 N -1.66 2.14 -0.32 0.90 -1.32 -1.26 -3.90 115.64 110.21 1yra s THR 8 Ca 0.09 0.07 -0.43 0.00 -1.21 0.00 0.00 61.69 60.21 1yra s THR 8 Cb -0.01 -2.62 -0.18 0.00 -1.51 0.00 0.00 72.50 68.18 1yra s THR 8 CO -0.05 -0.04 1.59 0.00 -2.21 0.00 0.00 174.62 173.91 1yra n ALA 9 N -2.88 -1.09 -0.00 11.08 0.00 -0.92 -1.79 120.51 124.91 1yra n ALA 9 Ca 0.14 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1yra n ALA 9 Cb 0.50 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 3.74 0.12 0.25 0.00 0.00 -1.26 -4.94 105.19 103.09 1yra n GLY 10 Ca 0.27 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.69 -3.47 113.55 114.64 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 0.19 1.92 0.20 -0.77 0.00 -1.26 -4.72 105.19 100.75 1yra n GLY 12 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.39 -0.39 1.61 1.57 -1.90 -1.00 116.57 116.07 1yra h LYS 13 Ca 0.00 0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 1yra h LYS 13 Cb 0.00 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1yra h LYS 13 CO 0.00 -0.26 -0.16 1.15 -0.57 0.00 0.00 179.45 179.61 1yra h THR 14 N -0.40 1.26 -0.09 -0.16 2.02 -1.96 -1.57 112.91 112.01 1yra h THR 14 Ca -0.03 -1.23 -0.03 0.00 0.77 0.00 0.00 66.41 65.89 1yra h THR 14 Cb 0.33 1.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1yra h THR 14 CO 0.04 0.41 -0.07 0.74 0.37 0.00 0.00 175.52 177.02 1yra h THR 15 N 0.66 1.34 -0.87 3.16 2.02 -1.95 -2.28 112.91 114.99 1yra h THR 15 Ca 0.10 -1.15 0.04 0.00 0.77 0.00 0.00 66.41 66.17 1yra h THR 15 Cb 0.64 1.91 -0.05 0.00 -1.74 0.00 0.00 68.15 68.91 1yra h THR 15 CO 0.05 0.32 0.55 0.25 0.37 0.00 0.00 175.52 177.06 1yra h LEU 16 N -0.18 0.90 0.16 2.58 5.85 -1.06 -1.11 115.31 122.46 1yra h LEU 16 Ca 0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1yra h LEU 16 Cb 0.55 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1yra h LEU 16 CO 0.02 0.61 -0.11 0.74 -0.34 0.00 0.00 178.44 179.36 1yra h THR 17 N 1.05 0.77 -0.09 1.05 2.02 -1.23 0.13 112.91 116.61 1yra h THR 17 Ca 0.36 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.55 1yra h THR 17 Cb 0.06 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1yra h THR 17 CO -0.13 0.00 0.01 1.23 0.37 0.00 0.00 175.52 177.00 1yra h GLY 18 N -0.26 0.10 1.63 2.16 0.00 -1.18 0.52 103.07 106.04 1yra h GLY 18 Ca -0.01 -0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.07 1yra h GLY 18 CO 0.01 -0.00 -1.10 -2.09 0.00 0.00 0.00 176.54 173.36 1yra h GLU 19 N 0.05 0.30 -0.32 4.80 4.57 -1.15 -0.94 114.58 121.89 1yra h GLU 19 Ca 0.04 -0.42 -0.13 0.00 -1.18 0.00 0.00 59.36 57.67 1yra h GLU 19 Cb 0.04 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 1yra h GLU 19 CO -0.06 1.15 -0.34 0.35 -1.18 0.00 0.00 179.01 178.93 1yra h PHE 20 N 0.12 0.83 -0.17 0.92 3.57 -0.74 -1.89 116.94 119.59 1yra h PHE 20 Ca -0.10 -0.23 0.05 0.00 3.53 0.00 0.00 57.97 61.22 1yra h PHE 20 Cb 1.79 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 40.28 1yra h PHE 20 CO 0.06 0.95 -0.31 0.78 -2.23 0.00 0.00 178.31 177.56 1yra h GLY 21 N 0.97 -0.39 0.56 2.40 0.00 -0.62 -1.63 103.07 104.36 1yra h GLY 21 Ca 0.06 0.39 0.03 0.00 0.00 0.00 0.00 47.33 47.81 1yra h GLY 21 CO 0.08 -0.22 -0.16 3.21 0.00 0.00 0.00 176.54 179.45 1yra h ARG 22 N -0.36 -0.23 -0.69 4.80 3.08 -0.94 -0.52 114.38 119.52 1yra h ARG 22 Ca 0.11 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.32 1yra h ARG 22 Cb 0.53 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.51 1yra h ARG 22 CO -0.38 -0.15 -0.06 -0.92 -1.07 0.00 0.00 179.97 177.39 1yra h TYR 23 N -0.24 -0.16 0.00 3.04 3.20 -1.24 -0.37 116.97 121.20 1yra h TYR 23 Ca 0.07 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 1yra h TYR 23 Cb 0.33 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1yra h TYR 23 CO -0.23 -0.24 -0.29 -0.07 -1.64 0.00 0.00 178.16 175.68 1yra h LEU 24 N 0.07 0.00 -1.83 2.82 3.38 -0.32 -3.10 115.31 116.33 1yra h LEU 24 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1yra h LEU 24 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1yra h LEU 24 CO -0.64 0.29 0.00 -0.33 0.09 0.00 0.00 178.44 177.85 1yra h GLU 25 N 0.00 0.00 -0.45 1.13 5.08 0.50 0.48 114.58 121.32 1yra h GLU 25 Ca -0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1yra h GLU 25 Cb 0.81 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 1yra h GLU 25 CO 0.04 0.00 0.30 -0.44 -1.00 0.00 0.00 179.01 177.91 1yra h ASP 26 N 0.00 0.36 0.00 1.42 3.32 -1.54 -3.33 116.42 116.65 1yra h ASP 26 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1yra h ASP 26 Cb 0.37 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1yra h ASP 26 CO 0.00 0.24 -0.92 0.59 -1.72 0.00 0.00 179.24 177.43 1yra n ASN 27 N -4.48 4.59 -4.29 6.45 4.13 -0.62 -4.23 115.26 116.81 1yra n ASN 27 Ca 0.06 0.00 -0.18 0.00 1.68 0.00 0.00 54.58 56.13 1yra n ASN 27 Cb 0.22 0.92 -0.11 0.00 -1.54 0.00 0.00 39.78 39.27 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 -1.83 1.53 -0.58 3.10 1.51 0.16 -5.00 117.35 116.24 1yra s TYR 28 Ca 0.00 -0.58 -0.28 0.00 -1.01 0.00 0.00 57.07 55.20 1yra s TYR 28 Cb 0.00 -0.76 0.02 0.00 -0.11 0.00 0.00 41.96 41.11 1yra s TYR 28 CO 0.00 0.22 1.30 0.21 -1.11 0.00 0.00 175.55 176.17 1yra s LYS 29 N -3.13 3.40 -0.09 -0.62 2.20 -1.26 -4.31 119.74 115.93 1yra s LYS 29 Ca 0.15 0.31 -0.02 0.00 -0.36 0.00 0.00 55.97 56.05 1yra s LYS 29 Cb -0.03 -4.08 -0.03 0.00 -1.51 0.00 0.00 37.83 32.18 1yra s LYS 29 CO 0.04 -1.83 -0.00 0.08 -0.36 0.00 0.00 175.35 173.28 1yra s VAL 30 N 5.50 4.26 0.26 4.02 1.01 -1.26 -1.02 120.40 133.18 1yra s VAL 30 Ca 0.47 -0.26 0.12 0.00 0.00 0.00 0.00 61.98 62.30 1yra s VAL 30 Cb -0.09 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 1yra s VAL 30 CO 0.24 0.60 -0.21 0.00 0.00 0.00 0.00 175.10 175.74 1yra s ALA 31 N -0.79 2.70 -0.06 5.51 0.00 -0.26 -4.98 121.76 123.88 1yra s ALA 31 Ca 0.12 -1.83 0.02 0.00 0.00 0.00 0.00 51.96 50.27 1yra s ALA 31 Cb -0.11 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.75 1yra s ALA 31 CO 0.02 0.30 -0.11 0.71 0.00 0.00 0.00 175.76 176.69 1yra s TYR 32 N -2.36 1.28 -0.19 0.00 2.02 -1.26 -1.74 117.35 115.10 1yra s TYR 32 Ca 0.28 -0.45 -0.01 0.00 -0.37 0.00 0.00 57.07 56.53 1yra s TYR 32 Cb -0.05 -0.96 0.01 0.00 -0.40 0.00 0.00 41.96 40.55 1yra s TYR 32 CO 0.14 -0.24 -0.14 0.08 -1.57 0.00 0.00 175.55 173.81 1yra s VAL 33 N 0.67 2.59 -0.38 0.71 1.01 -0.07 -0.62 120.40 124.32 1yra s VAL 33 Ca -0.13 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 1yra s VAL 33 Cb -0.15 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1yra s VAL 33 CO 0.03 0.50 0.36 0.21 0.00 0.00 0.00 175.10 176.20 1yra s ASN 34 N 1.24 6.16 0.00 3.32 3.04 -0.27 -0.75 114.94 127.68 1yra s ASN 34 Ca 0.03 -0.52 0.20 0.00 0.04 0.00 0.00 52.86 52.60 1yra s ASN 34 Cb -0.14 -2.19 0.54 0.00 -1.54 0.00 0.00 41.25 37.92 1yra s ASN 34 CO -0.07 -0.43 1.44 0.18 -3.04 0.00 0.00 177.10 175.18 1yra n LEU 35 N 5.39 2.63 -4.52 3.21 4.77 0.66 -2.27 117.00 126.87 1yra n LEU 35 Ca -0.09 -1.19 -0.40 0.00 -0.03 0.00 0.00 56.01 54.30 1yra n LEU 35 Cb 0.48 -0.24 -0.11 0.00 -2.33 0.00 0.00 43.42 41.23 1yra n LEU 35 CO 0.42 0.60 -0.14 -0.62 -1.33 0.00 0.00 177.39 176.32 1yra s ASP 36 N -1.34 5.97 0.16 -1.43 2.15 -1.26 -4.15 116.67 116.78 1yra s ASP 36 Ca 0.35 -0.43 0.26 0.00 0.43 0.00 0.00 52.55 53.17 1yra s ASP 36 Cb 0.19 -2.11 0.80 0.00 -0.30 0.00 0.00 42.92 41.50 1yra s ASP 36 CO 0.27 -0.22 1.73 0.35 -0.17 0.00 0.00 175.17 177.13 1yra n THR 37 N 5.08 0.47 -0.01 1.71 -2.24 -1.26 -4.20 114.28 113.83 1yra n THR 37 Ca -0.13 -0.24 -0.21 0.00 -2.27 0.00 0.00 64.05 61.21 1yra n THR 37 Cb 0.50 -0.49 -0.14 0.00 -2.10 0.00 0.00 70.33 68.10 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 1.34 -0.55 3.52 3.38 0.00 -1.26 -2.27 105.19 109.35 1yra n GLY 38 Ca 0.05 -0.27 -0.46 0.00 0.00 0.00 0.00 46.02 45.35 1yra n GLY 38 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1yra n VAL 39 N -3.44 1.94 0.01 1.61 3.14 -1.26 -4.87 118.33 115.46 1yra n VAL 39 Ca -0.33 -0.49 -0.15 0.00 -2.96 0.00 0.00 64.34 60.42 1yra n VAL 39 Cb 1.04 -0.64 -0.14 0.00 -1.06 0.00 0.00 33.84 33.05 1yra n VAL 39 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 1yra h LYS 40 N 1.70 0.15 -2.99 1.45 3.64 -1.96 -3.48 116.57 115.08 1yra h LYS 40 Ca -0.36 -0.26 -0.10 0.00 -1.27 0.00 0.00 60.65 58.66 1yra h LYS 40 Cb 1.38 0.10 -0.19 0.00 -0.41 0.00 0.00 32.23 33.10 1yra h LYS 40 CO 0.60 0.90 -0.21 -1.83 -2.27 0.00 0.00 179.45 176.64 1yra s GLU 41 N -2.60 0.76 -0.07 1.90 -1.05 -1.26 -5.16 118.70 111.21 1yra s GLU 41 Ca -0.11 -0.23 0.01 0.00 -0.15 0.00 0.00 54.97 54.48 1yra s GLU 41 Cb 0.07 0.34 -0.03 0.00 -0.44 0.00 0.00 34.13 34.07 1yra s GLU 41 CO 0.82 -0.23 -0.07 -0.51 0.95 0.00 0.00 175.26 176.22 1yra s LEU 42 N -1.54 3.17 -0.04 1.83 1.43 -1.26 -5.00 118.68 117.27 1yra s LEU 42 Ca -0.11 -0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.03 1yra s LEU 42 Cb -0.03 -1.69 0.25 0.00 0.03 0.00 0.00 46.19 44.75 1yra s LEU 42 CO 0.03 0.35 1.06 -0.81 0.23 0.00 0.00 176.35 177.21 1yra n PRO 43 N 2.30 1.97 -3.86 1.29 -0.04 -1.26 -4.87 135.00 130.52 1yra n PRO 43 Ca -0.18 -1.00 -0.10 0.00 -0.04 0.00 0.00 63.50 62.18 1yra n PRO 43 Cb 0.53 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.63 0.18 -0.47 0.54 -0.85 -1.26 -4.83 117.35 109.02 1yra s TYR 44 Ca 0.18 -0.54 -0.20 0.00 -0.52 0.00 0.00 57.07 55.99 1yra s TYR 44 Cb 0.12 0.09 0.04 0.00 0.38 0.00 0.00 41.96 42.58 1yra s TYR 44 CO 0.09 -0.74 0.62 -2.00 -1.52 0.00 0.00 175.55 171.99 1yra s GLU 45 N -3.91 3.18 0.35 -3.49 2.12 -1.26 -5.05 118.70 110.64 1yra s GLU 45 Ca 0.12 -0.65 -0.26 0.00 0.36 0.00 0.00 54.97 54.54 1yra s GLU 45 Cb 0.02 -4.02 -0.09 0.00 0.26 0.00 0.00 34.13 30.30 1yra s GLU 45 CO -0.03 -1.10 1.08 -1.25 -0.54 0.00 0.00 175.26 173.42 1yra s PRO 46 N 2.68 4.35 0.06 4.30 0.04 -1.26 -4.64 135.00 140.53 1yra s PRO 46 Ca 0.18 1.67 0.09 0.00 0.04 0.00 0.00 61.00 62.98 1yra s PRO 46 Cb -0.17 -2.83 -0.21 0.00 0.04 0.00 0.00 34.50 31.34 1yra s PRO 46 CO 0.15 -0.01 1.05 0.77 0.04 0.00 0.00 177.00 179.00 1yra h SER 47 N 3.07 0.00 -3.60 6.66 0.02 -1.25 -3.44 113.55 115.01 1yra h SER 47 Ca -0.48 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 59.97 1yra h SER 47 Cb 1.22 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.43 1yra h SER 47 CO 0.64 0.98 -0.81 -0.63 -1.14 0.00 0.00 176.83 175.87 1yra s ILE 48 N -2.68 1.12 -0.24 3.27 1.01 -1.13 -5.05 121.20 117.51 1yra s ILE 48 Ca -0.01 -0.50 -0.04 0.00 0.00 0.00 0.00 60.65 60.10 1yra s ILE 48 Cb 0.09 -1.01 0.08 0.00 0.01 0.00 0.00 42.46 41.64 1yra s ILE 48 CO 0.82 0.34 0.10 -0.62 0.00 0.00 0.00 174.94 175.58 1yra s ASP 49 N 0.44 3.16 0.60 3.58 -1.08 -1.26 -1.11 116.67 121.00 1yra s ASP 49 Ca -0.10 -1.06 0.31 0.00 -0.52 0.00 0.00 52.55 51.18 1yra s ASP 49 Cb -0.13 -0.44 1.88 0.00 -1.46 0.00 0.00 42.92 42.77 1yra s ASP 49 CO 0.03 -0.39 2.26 -0.37 0.52 0.00 0.00 175.17 177.22 1yra h VAL 50 N 6.44 0.46 0.00 1.11 -1.51 -1.77 0.03 116.25 121.02 1yra h VAL 50 Ca -0.17 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1yra h VAL 50 Cb 1.07 0.98 -0.00 0.00 -2.13 0.00 0.00 31.29 31.21 1yra h VAL 50 CO 0.38 0.00 -0.00 0.03 -1.23 0.00 0.00 177.57 176.75 1yra h ARG 51 N 0.00 0.00 -0.71 5.19 3.08 -1.80 -0.33 114.38 119.81 1yra h ARG 51 Ca 0.01 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.18 1yra h ARG 51 Cb 0.05 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 1yra h ARG 51 CO -0.00 0.00 0.47 1.49 -1.07 0.00 0.00 179.97 180.87 1yra h GLU 52 N 0.00 0.47 0.05 0.04 4.22 -1.40 -3.13 114.58 114.83 1yra h GLU 52 Ca -0.00 -0.03 -0.19 0.00 0.08 0.00 0.00 59.36 59.22 1yra h GLU 52 Cb 0.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1yra h GLU 52 CO 0.00 0.31 -1.00 0.35 -2.18 0.00 0.00 179.01 176.49 1yra h PHE 53 N 0.48 0.21 -1.83 0.92 3.57 -1.23 -3.49 116.94 115.57 1yra h PHE 53 Ca 0.34 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1yra h PHE 53 Cb 0.66 -0.01 -0.21 0.00 2.79 0.00 0.00 35.95 39.18 1yra h PHE 53 CO -0.00 1.39 0.32 0.54 -2.23 0.00 0.00 178.31 178.33 1yra s VAL 54 N -2.38 0.00 0.15 1.41 0.11 -0.88 -5.14 120.40 113.68 1yra s VAL 54 Ca -0.22 0.00 0.10 0.00 -2.93 0.00 0.00 61.98 58.93 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 0.70 0.00 -0.23 0.42 -3.33 0.00 0.00 175.10 172.66 1yra s THR 55 N -0.97 2.11 0.25 5.04 -4.23 -1.26 -3.89 115.64 112.68 1yra s THR 55 Ca -0.06 -1.85 -0.04 0.00 -1.18 0.00 0.00 61.69 58.56 1yra s THR 55 Cb -0.01 -1.93 0.23 0.00 1.34 0.00 0.00 72.50 72.13 1yra s THR 55 CO 0.06 -0.09 1.83 0.58 -0.54 0.00 0.00 174.62 176.46 1yra h VAL 56 N 3.55 0.96 -0.59 2.29 2.07 -1.76 -2.14 116.25 120.63 1yra h VAL 56 Ca -0.47 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1yra h VAL 56 Cb 1.19 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1yra h VAL 56 CO 0.45 0.16 0.38 -0.33 0.02 0.00 0.00 177.57 178.24 1yra h GLU 57 N 0.90 0.80 -0.68 1.57 3.07 -1.91 0.05 114.58 118.38 1yra h GLU 57 Ca 0.41 -0.06 0.02 0.00 -0.50 0.00 0.00 59.36 59.23 1yra h GLU 57 Cb 0.31 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 28.00 1yra h GLU 57 CO -0.22 0.55 0.43 1.49 -1.40 0.00 0.00 179.01 179.86 1yra h GLU 58 N 0.80 0.83 -0.38 2.33 4.57 -1.87 -2.17 114.58 118.70 1yra h GLU 58 Ca 0.22 -0.05 -0.14 0.00 -1.18 0.00 0.00 59.36 58.20 1yra h GLU 58 Cb -0.05 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.34 1yra h GLU 58 CO -0.04 0.55 -0.34 0.82 -1.18 0.00 0.00 179.01 178.82 1yra h ILE 59 N 0.85 1.28 0.00 2.32 2.04 -0.74 -2.17 117.51 121.08 1yra h ILE 59 Ca 0.27 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.61 1yra h ILE 59 Cb -0.01 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1yra h ILE 59 CO -0.09 0.50 -0.05 0.24 0.00 0.00 0.00 178.15 178.74 1yra h MET 60 N 0.71 0.00 0.00 2.37 2.86 -0.66 -0.02 114.93 120.20 1yra h MET 60 Ca 0.07 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1yra h MET 60 Cb 0.90 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.56 1yra h MET 60 CO 0.08 0.05 -0.12 0.00 1.06 0.00 0.00 176.91 177.99 1yra h ARG 61 N 0.00 0.00 -0.16 1.72 3.08 -0.75 0.53 114.38 118.80 1yra h ARG 61 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1yra h ARG 61 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1yra h ARG 61 CO 0.01 0.12 0.00 0.39 -1.07 0.00 0.00 179.97 179.41 1yra n GLU 62 N -4.24 0.86 -0.45 0.04 1.02 -0.02 -4.85 120.64 113.01 1yra n GLU 62 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1yra n GLU 62 Cb 0.19 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 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 0.31 0.84 3.77 0.62 0.00 0.18 -5.05 105.19 105.85 1yra n GLY 63 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.95 2.73 0.81 1.61 2.02 -1.23 -5.03 117.35 115.30 1yra s TYR 64 Ca 0.00 1.52 -0.11 0.00 -0.37 0.00 0.00 57.07 58.11 1yra s TYR 64 Cb 0.00 -3.40 0.08 0.00 -0.40 0.00 0.00 41.96 38.23 1yra s TYR 64 CO 0.00 -1.71 1.09 0.20 -1.57 0.00 0.00 175.55 173.57 1yra s GLY 65 N -1.44 1.62 0.15 0.71 0.00 -1.26 -4.41 107.32 102.69 1yra s GLY 65 Ca 0.68 -0.16 -0.19 0.00 0.00 0.00 0.00 44.72 45.04 1yra s GLY 65 CO 0.34 0.27 1.68 -0.56 0.00 0.00 0.00 173.10 174.83 1yra h PRO 66 N -1.17 -0.04 -0.06 2.90 0.13 -1.96 0.46 132.00 132.26 1yra h PRO 66 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 1yra h PRO 66 Cb 1.27 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1yra h PRO 66 CO 0.58 -0.03 -0.53 -0.91 -0.23 0.00 0.00 178.00 176.88 1yra h ASN 67 N -0.05 0.18 -0.08 1.44 2.35 -2.00 -0.51 115.58 116.92 1yra h ASN 67 Ca 0.15 -0.09 -0.13 0.00 -0.55 0.00 0.00 56.30 55.67 1yra h ASN 67 Cb 0.27 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1yra h ASN 67 CO -0.32 0.68 -0.37 1.23 -1.65 0.00 0.00 177.43 177.00 1yra h GLY 68 N 1.45 0.64 1.72 2.83 0.00 -1.83 -2.79 103.07 105.10 1yra h GLY 68 Ca 0.00 -0.61 -0.13 0.00 0.00 0.00 0.00 47.33 46.59 1yra h GLY 68 CO 0.08 0.56 -0.48 0.00 0.00 0.00 0.00 176.54 176.70 1yra h ALA 69 N 1.11 0.97 0.10 3.60 0.00 0.67 -0.59 119.26 125.12 1yra h ALA 69 Ca 0.05 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1yra h ALA 69 Cb 0.86 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1yra h ALA 69 CO 0.07 0.65 -0.05 0.82 0.00 0.00 0.00 179.25 180.74 1yra h ILE 70 N 0.24 1.04 -0.26 0.00 2.04 -1.02 0.15 117.51 119.72 1yra h ILE 70 Ca 0.01 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1yra h ILE 70 Cb 0.93 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 1yra h ILE 70 CO 0.08 0.14 0.16 0.58 0.00 0.00 0.00 178.15 179.11 1yra h VAL 71 N -0.41 1.08 -0.43 1.67 2.07 -1.38 -2.62 116.25 116.23 1yra h VAL 71 Ca -0.01 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1yra h VAL 71 Cb 0.34 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1yra h VAL 71 CO 0.02 0.08 0.24 -0.08 0.02 0.00 0.00 177.57 177.85 1yra h GLU 72 N 0.34 0.59 -0.30 1.57 4.57 -1.05 -1.58 114.58 118.72 1yra h GLU 72 Ca 0.09 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 1yra h GLU 72 Cb -0.01 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 1yra h GLU 72 CO -0.02 0.44 -0.03 0.66 -1.18 0.00 0.00 179.01 178.88 1yra h SER 73 N 0.60 0.43 1.34 1.04 4.64 -0.30 -1.80 113.55 119.51 1yra h SER 73 Ca 0.16 -0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.31 1yra h SER 73 Cb 0.02 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1yra h SER 73 CO -0.03 0.52 -0.68 1.88 -0.87 0.00 0.00 176.83 177.65 1yra h TYR 74 N 0.44 0.00 -0.52 4.77 0.05 -1.20 -2.52 116.97 118.00 1yra h TYR 74 Ca 0.09 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.78 1yra h TYR 74 Cb 0.34 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 1yra h TYR 74 CO 0.01 0.37 -0.05 -0.44 -1.05 0.00 0.00 178.16 177.00 1yra h ASP 75 N 0.00 0.94 -0.42 3.88 3.32 -0.91 -2.02 116.42 121.20 1yra h ASP 75 Ca -0.04 -0.33 -0.07 0.00 0.02 0.00 0.00 57.03 56.61 1yra h ASP 75 Cb 1.31 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1yra h ASP 75 CO 0.04 1.04 -0.03 0.03 -1.72 0.00 0.00 179.24 178.61 1yra h ARG 76 N 0.81 0.76 -0.04 3.56 3.08 -1.36 -3.03 114.38 118.16 1yra h ARG 76 Ca 0.14 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 1yra h ARG 76 Cb 0.60 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1yra h ARG 76 CO 0.04 0.85 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.59 1yra h LEU 77 N 0.59 0.06 -1.88 3.04 3.38 -1.41 -2.22 115.31 116.87 1yra h LEU 77 Ca 0.11 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1yra h LEU 77 Cb 0.53 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1yra h LEU 77 CO 0.03 0.19 -0.10 -0.03 0.09 0.00 0.00 178.44 178.63 1yra h MET 78 N 0.06 0.00 0.00 1.13 4.05 -1.24 0.13 114.93 119.06 1yra h MET 78 Ca 0.01 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.41 1yra h MET 78 Cb 0.27 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.06 1yra h MET 78 CO 0.02 0.10 -0.12 0.93 0.23 0.00 0.00 176.91 178.06 1yra h GLU 79 N 0.00 0.00 -0.64 0.39 5.08 -1.44 -2.51 114.58 115.46 1yra h GLU 79 Ca -0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 1yra h GLU 79 Cb 0.18 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.24 1yra h GLU 79 CO 0.01 0.12 0.25 1.63 -1.00 0.00 0.00 179.01 180.02 1yra n LYS 80 N -3.75 2.17 0.31 2.33 4.01 0.44 -4.82 118.16 118.85 1yra n LYS 80 Ca -0.02 -3.10 -0.16 0.00 -0.51 0.00 0.00 58.31 54.52 1yra n LYS 80 Cb 0.23 -1.99 -0.08 0.00 -0.51 0.00 0.00 35.03 32.67 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 1.14 -0.72 -0.95 2.13 3.57 -1.28 -2.54 116.94 118.30 1yra h PHE 81 Ca 0.39 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 62.05 1yra h PHE 81 Cb 2.20 0.24 -0.08 0.00 2.79 0.00 0.00 35.95 41.09 1yra h PHE 81 CO 1.27 -0.40 0.60 -0.91 -2.23 0.00 0.00 178.31 176.64 1yra h ASN 82 N -0.90 0.65 -0.26 0.41 -0.26 -1.87 0.58 115.58 113.94 1yra h ASN 82 Ca -0.08 0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 55.71 1yra h ASN 82 Cb 0.64 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.82 1yra h ASN 82 CO 0.13 0.28 0.11 -0.08 -1.06 0.00 0.00 177.43 176.80 1yra h GLU 83 N 0.66 0.38 -0.24 0.81 4.81 -1.83 0.09 114.58 119.26 1yra h GLU 83 Ca 0.50 -0.07 -0.20 0.00 -0.13 0.00 0.00 59.36 59.47 1yra h GLU 83 Cb 0.90 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1yra h GLU 83 CO -0.26 0.40 -0.64 1.88 -0.73 0.00 0.00 179.01 179.67 1yra h TYR 84 N 0.27 1.11 -0.47 0.92 0.05 -1.07 -1.91 116.97 115.87 1yra h TYR 84 Ca 0.09 -0.43 0.07 0.00 0.05 0.00 0.00 58.73 58.51 1yra h TYR 84 Cb 0.16 -0.19 -0.06 0.00 1.01 0.00 0.00 36.73 37.65 1yra h TYR 84 CO -0.01 1.27 0.11 1.25 -1.05 0.00 0.00 178.16 179.73 1yra h LEU 85 N 0.63 0.05 -0.79 3.88 5.85 0.30 -1.09 115.31 124.14 1yra h LEU 85 Ca -0.01 0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 1yra h LEU 85 Cb 1.26 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 1yra h LEU 85 CO 0.14 0.06 -0.60 0.78 -0.34 0.00 0.00 178.44 178.48 1yra h ASN 86 N 0.26 0.02 -0.34 1.25 2.35 -0.93 -1.24 115.58 116.95 1yra h ASN 86 Ca 0.23 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.93 1yra h ASN 86 Cb 0.28 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1yra h ASN 86 CO -0.28 0.61 0.04 0.11 -1.65 0.00 0.00 177.43 176.26 1yra h LYS 87 N 0.01 0.57 -0.37 0.81 1.57 -0.83 -1.07 116.57 117.26 1yra h LYS 87 Ca -0.01 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1yra h LYS 87 Cb 1.07 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 1yra h LYS 87 CO 0.08 0.67 0.21 0.82 -0.57 0.00 0.00 179.45 180.66 1yra h ILE 88 N 0.40 1.14 -0.74 1.86 2.04 -0.94 -1.37 117.51 119.89 1yra h ILE 88 Ca 0.10 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.67 1yra h ILE 88 Cb 0.39 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1yra h ILE 88 CO 0.01 0.14 0.45 -0.07 0.00 0.00 0.00 178.15 178.68 1yra h LEU 89 N 0.48 0.70 -0.17 1.44 3.38 -1.17 -1.81 115.31 118.16 1yra h LEU 89 Ca 0.13 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1yra h LEU 89 Cb 0.04 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 1yra h LEU 89 CO -0.02 0.46 -0.19 0.03 0.09 0.00 0.00 178.44 178.82 1yra h ARG 90 N 0.84 -0.21 -1.00 1.13 3.08 -0.81 -2.68 114.38 114.73 1yra h ARG 90 Ca 0.32 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.51 1yra h ARG 90 Cb 0.12 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.14 1yra h ARG 90 CO -0.15 -0.14 0.63 -0.07 -1.07 0.00 0.00 179.97 179.16 1yra h LEU 91 N -0.22 0.90 -1.79 3.04 3.38 -0.54 -0.54 115.31 119.54 1yra h LEU 91 Ca 0.11 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1yra h LEU 91 Cb 0.38 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1yra h LEU 91 CO -0.30 0.46 -0.15 -0.08 0.09 0.00 0.00 178.44 178.46 1yra h GLU 92 N 0.96 0.00 0.00 1.13 4.22 -1.02 -0.40 114.58 119.46 1yra h GLU 92 Ca 0.50 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.82 1yra h GLU 92 Cb 0.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1yra h GLU 92 CO -0.27 0.15 -0.58 0.87 -2.18 0.00 0.00 179.01 177.00 1yra h LYS 93 N 0.00 0.00 -0.37 1.92 6.56 -0.90 -3.29 116.57 120.49 1yra h LYS 93 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1yra h LYS 93 Cb 0.34 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.00 1yra h LYS 93 CO 0.02 0.58 0.00 0.39 -2.06 0.00 0.00 179.45 178.38 1yra n GLU 94 N -3.43 2.36 -3.90 3.15 1.02 -0.20 -4.63 120.64 115.02 1yra n GLU 94 Ca 0.00 -2.17 -0.10 0.00 -0.02 0.00 0.00 57.16 54.87 1yra n GLU 94 Cb 0.69 -1.45 -0.09 0.00 -0.02 0.00 0.00 31.44 30.56 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 -1.32 0.11 0.05 1.62 0.01 -0.98 -4.69 114.94 109.73 1yra s ASN 95 Ca 0.35 -0.40 -0.17 0.00 -0.71 0.00 0.00 52.86 51.93 1yra s ASN 95 Cb 0.20 0.22 -0.19 0.00 0.41 0.00 0.00 41.25 41.90 1yra s ASN 95 CO 0.28 -0.46 1.22 0.44 -1.51 0.00 0.00 177.10 177.06 1yra h ASP 96 N 3.86 0.66 -4.29 -1.22 3.32 -1.42 -3.38 116.42 113.96 1yra h ASP 96 Ca -0.32 -0.66 -0.52 0.00 0.02 0.00 0.00 57.03 55.56 1yra h ASP 96 Cb 1.19 -0.20 -0.27 0.00 0.22 0.00 0.00 39.33 40.27 1yra h ASP 96 CO 0.46 1.22 -0.82 -0.31 -1.72 0.00 0.00 179.24 178.07 1yra s TYR 97 N -3.61 1.48 -0.15 4.55 1.51 -0.63 -0.39 117.35 120.11 1yra s TYR 97 Ca -0.12 -0.32 -0.01 0.00 -1.01 0.00 0.00 57.07 55.61 1yra s TYR 97 Cb 0.06 -0.91 0.04 0.00 -0.11 0.00 0.00 41.96 41.03 1yra s TYR 97 CO 0.84 0.02 -0.05 0.08 -1.11 0.00 0.00 175.55 175.33 1yra s VAL 98 N -0.60 0.99 -0.23 0.71 1.01 0.13 -1.10 120.40 121.30 1yra s VAL 98 Ca 0.05 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 1yra s VAL 98 Cb -0.07 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 1yra s VAL 98 CO 0.00 0.17 0.17 -0.76 0.00 0.00 0.00 175.10 174.68 1yra s LEU 99 N 1.69 4.13 -0.23 3.92 1.43 -0.71 -1.20 118.68 127.71 1yra s LEU 99 Ca 0.02 0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 53.19 1yra s LEU 99 Cb -0.14 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 1yra s LEU 99 CO -0.08 0.07 0.05 -0.63 0.23 0.00 0.00 176.35 175.99 1yra s ILE 100 N 1.00 4.24 -0.38 -0.59 1.01 0.99 -0.89 121.20 126.57 1yra s ILE 100 Ca 0.08 -0.20 -0.14 0.00 0.00 0.00 0.00 60.65 60.39 1yra s ILE 100 Cb -0.13 -2.96 0.01 0.00 0.01 0.00 0.00 42.46 39.39 1yra s ILE 100 CO 0.04 0.38 0.27 -0.62 0.00 0.00 0.00 174.94 175.00 1yra s ASP 101 N 1.30 6.02 0.67 3.58 2.15 0.07 -0.98 116.67 129.48 1yra s ASP 101 Ca 0.05 -0.78 -0.05 0.00 0.43 0.00 0.00 52.55 52.19 1yra s ASP 101 Cb -0.15 -2.13 0.05 0.00 -0.30 0.00 0.00 42.92 40.40 1yra s ASP 101 CO 0.03 -0.38 0.97 0.42 -0.17 0.00 0.00 175.17 176.04 1yra s THR 102 N 1.67 2.45 0.50 1.71 -4.23 -1.24 -0.24 115.64 116.26 1yra s THR 102 Ca 0.05 -0.31 -0.20 0.00 -1.18 0.00 0.00 61.69 60.05 1yra s THR 102 Cb -0.19 -3.04 -0.10 0.00 1.34 0.00 0.00 72.50 70.51 1yra s THR 102 CO 0.09 -0.04 0.57 -2.65 -0.54 0.00 0.00 174.62 172.06 1yra n PRO 103 N -2.80 0.61 0.21 3.99 -0.02 -1.26 -4.38 135.00 131.35 1yra n PRO 103 Ca 0.08 0.23 0.04 0.00 -2.02 0.00 0.00 63.50 61.83 1yra n PRO 103 Cb 0.60 -1.66 0.44 0.00 -0.02 0.00 0.00 33.50 32.86 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 0.55 0.00 -7.57 -1.23 0.00 -1.93 -3.34 103.07 89.54 1yra h GLY 104 Ca -0.44 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.19 1yra h GLY 104 CO 0.49 0.00 -0.46 1.20 0.00 0.00 0.00 176.54 177.77 1yra s GLN 105 N -4.45 3.13 0.48 4.80 -1.52 -1.26 -2.15 119.66 118.68 1yra s GLN 105 Ca -0.03 -0.90 0.32 0.00 -1.95 0.00 0.00 55.36 52.79 1yra s GLN 105 Cb 0.15 -3.87 1.42 0.00 -0.22 0.00 0.00 33.01 30.49 1yra s GLN 105 CO 0.71 -0.63 1.72 1.98 -0.25 0.00 0.00 175.29 178.81 1yra h MET 106 N 8.55 0.13 0.00 2.91 1.85 -1.69 -0.90 114.93 125.77 1yra h MET 106 Ca -0.28 -0.01 -0.08 0.00 -0.61 0.00 0.00 59.70 58.72 1yra h MET 106 Cb 1.13 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 33.12 1yra h MET 106 CO 0.69 0.08 -0.39 1.05 -0.40 0.00 0.00 176.91 177.94 1yra h GLU 107 N 0.13 0.00 -0.14 0.39 4.11 -1.93 -1.08 114.58 116.05 1yra h GLU 107 Ca 0.69 0.00 0.01 0.00 0.07 0.00 0.00 59.36 60.13 1yra h GLU 107 Cb 2.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.58 1yra h GLU 107 CO -0.19 0.39 0.06 1.15 0.07 0.00 0.00 179.01 180.48 1yra h THR 108 N 0.00 0.98 -0.04 -1.06 2.02 -1.53 0.65 112.91 113.93 1yra h THR 108 Ca -0.00 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 1yra h THR 108 Cb 0.80 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1yra h THR 108 CO 0.05 0.02 -0.32 0.15 0.37 0.00 0.00 175.52 175.80 1yra h PHE 109 N 0.13 0.08 0.00 3.16 3.57 -1.38 -1.59 116.94 120.91 1yra h PHE 109 Ca 0.06 -0.02 -0.26 0.00 3.53 0.00 0.00 57.97 61.28 1yra h PHE 109 Cb 0.03 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.70 1yra h PHE 109 CO -0.10 0.39 -1.97 1.28 -2.23 0.00 0.00 178.31 175.67 1yra n LEU 110 N -4.14 0.38 -0.22 0.59 4.77 -0.49 -3.72 117.00 114.16 1yra n LEU 110 Ca -0.02 0.17 0.03 0.00 -0.03 0.00 0.00 56.01 56.16 1yra n LEU 110 Cb 0.38 0.27 0.03 0.00 -2.33 0.00 0.00 43.42 41.76 1yra n LEU 110 CO 0.39 0.33 0.36 0.49 -1.33 0.00 0.00 177.39 177.63 1yra n PHE 111 N -2.78 0.02 -4.12 -1.77 3.72 0.21 -4.89 117.46 107.84 1yra n PHE 111 Ca -0.21 -0.05 -0.31 0.00 -0.05 0.00 0.00 57.45 56.84 1yra n PHE 111 Cb 0.99 -0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.45 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 -0.50 3.11 0.50 1.38 2.46 -0.60 -5.00 115.29 116.64 1yra s HIS 112 Ca 0.07 0.06 0.17 0.00 0.47 0.00 0.00 55.06 55.83 1yra s HIS 112 Cb 0.05 -1.61 1.25 0.00 -0.13 0.00 0.00 32.58 32.13 1yra s HIS 112 CO 0.07 0.50 2.10 1.49 -2.47 0.00 0.00 174.74 176.43 1yra h GLU 113 N 3.60 0.00 -0.21 2.88 4.81 -1.93 -2.91 114.58 120.82 1yra h GLU 113 Ca -0.48 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1yra h GLU 113 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1yra h GLU 113 CO 0.62 0.07 0.11 0.35 -0.73 0.00 0.00 179.01 179.43 1yra h PHE 114 N 0.00 0.30 0.37 0.92 3.57 -1.90 0.12 116.94 120.32 1yra h PHE 114 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1yra h PHE 114 Cb 0.13 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1yra h PHE 114 CO 0.00 0.28 -0.18 0.78 -2.23 0.00 0.00 178.31 176.97 1yra h GLY 115 N 0.22 -0.52 1.04 2.40 0.00 -1.68 -1.37 103.07 103.16 1yra h GLY 115 Ca 0.07 0.19 -0.08 0.00 0.00 0.00 0.00 47.33 47.52 1yra h GLY 115 CO -0.01 -0.19 0.06 -2.08 0.00 0.00 0.00 176.54 174.32 1yra h VAL 116 N -0.78 1.26 -0.64 4.60 2.07 -1.58 -1.03 116.25 120.16 1yra h VAL 116 Ca -0.05 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.36 1yra h VAL 116 Cb 0.52 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1yra h VAL 116 CO 0.08 0.38 0.11 -0.09 0.02 0.00 0.00 177.57 178.07 1yra h ARG 117 N 0.87 1.04 -0.32 1.57 2.43 -0.81 0.34 114.38 119.49 1yra h ARG 117 Ca 0.17 -0.26 0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1yra h ARG 117 Cb 0.47 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 1yra h ARG 117 CO 0.02 0.95 0.15 1.25 -1.51 0.00 0.00 179.97 180.83 1yra h LEU 118 N 0.98 0.21 -0.59 3.80 5.85 -1.01 -3.09 115.31 121.46 1yra h LEU 118 Ca 0.20 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.84 1yra h LEU 118 Cb 0.41 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1yra h LEU 118 CO 0.01 0.16 -0.03 0.24 -0.34 0.00 0.00 178.44 178.48 1yra h MET 119 N 0.32 1.05 0.00 1.25 2.86 -0.74 -0.34 114.93 119.34 1yra h MET 119 Ca 0.14 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1yra h MET 119 Cb 0.07 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1yra h MET 119 CO -0.11 1.05 0.23 0.93 1.06 0.00 0.00 176.91 180.07 1yra h GLU 120 N 0.95 0.00 -0.14 1.72 5.08 -0.90 -2.83 114.58 118.45 1yra h GLU 120 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1yra h GLU 120 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1yra h GLU 120 CO 0.04 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.14 1yra n ASN 121 N -2.83 2.30 -4.73 1.42 4.13 -0.16 -4.98 115.26 110.41 1yra n ASN 121 Ca -0.02 -1.88 -0.34 0.00 1.68 0.00 0.00 54.58 54.01 1yra n ASN 121 Cb 0.28 -0.10 -0.08 0.00 -1.54 0.00 0.00 39.78 38.34 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 -0.92 3.73 -0.51 3.41 1.43 -1.06 -5.05 118.68 119.72 1yra s LEU 122 Ca 0.11 0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 53.07 1yra s LEU 122 Cb 0.06 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.30 1yra s LEU 122 CO 0.08 0.34 1.27 -2.16 0.23 0.00 0.00 176.35 176.10 1yra s PRO 123 N -1.24 3.55 -1.18 1.29 0.04 -1.26 -4.26 135.00 131.94 1yra s PRO 123 Ca 0.17 0.53 -0.31 0.00 0.04 0.00 0.00 61.00 61.43 1yra s PRO 123 Cb -0.12 -4.01 0.04 0.00 0.04 0.00 0.00 34.50 30.46 1yra s PRO 123 CO 0.07 -1.62 0.69 0.66 0.04 0.00 0.00 177.00 176.84 1yra n TYR 124 N 8.57 -1.50 -2.42 0.56 4.01 -1.26 -4.83 117.16 120.30 1yra n TYR 124 Ca 0.12 0.16 -0.39 0.00 -0.16 0.00 0.00 57.90 57.63 1yra n TYR 124 Cb 0.49 -2.86 -0.03 0.00 -0.31 0.00 0.00 39.34 36.62 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 -7.10 4.32 -0.30 -0.72 0.04 -1.26 -4.71 135.00 125.27 1yra s PRO 125 Ca 0.46 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 63.15 1yra s PRO 125 Cb -0.24 -2.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 1yra s PRO 125 CO 0.96 -0.06 0.20 -1.17 0.04 0.00 0.00 177.00 176.96 1yra s LEU 126 N -2.10 4.17 -0.21 -3.56 2.96 0.34 -4.13 118.68 116.14 1yra s LEU 126 Ca 0.52 -0.15 -0.14 0.00 -0.22 0.00 0.00 54.13 54.15 1yra s LEU 126 Cb -0.29 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 1yra s LEU 126 CO 0.37 -0.11 0.30 -0.69 -1.32 0.00 0.00 176.35 174.91 1yra s VAL 127 N 1.74 5.27 -0.39 1.68 1.01 -0.42 -0.42 120.40 128.87 1yra s VAL 127 Ca 0.07 0.51 -0.11 0.00 0.00 0.00 0.00 61.98 62.45 1yra s VAL 127 Cb -0.16 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.62 1yra s VAL 127 CO 0.11 0.30 0.23 -0.69 0.00 0.00 0.00 175.10 175.05 1yra s VAL 128 N 1.12 4.50 -0.42 2.92 1.01 0.36 0.11 120.40 129.99 1yra s VAL 128 Ca 0.15 -1.05 -0.19 0.00 0.00 0.00 0.00 61.98 60.89 1yra s VAL 128 Cb -0.14 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1yra s VAL 128 CO 0.06 -0.34 0.56 -0.47 0.00 0.00 0.00 175.10 174.91 1yra s TYR 129 N 1.52 3.11 -0.01 5.22 5.04 0.67 -0.86 117.35 132.04 1yra s TYR 129 Ca 0.02 -0.15 -0.01 0.00 -2.44 0.00 0.00 57.07 54.50 1yra s TYR 129 Cb -0.21 -3.14 -0.04 0.00 0.35 0.00 0.00 41.96 38.92 1yra s TYR 129 CO 0.05 -0.78 0.09 0.96 -1.34 0.00 0.00 175.55 174.53 1yra s ILE 130 N 2.53 4.78 0.03 3.14 -4.36 0.28 -0.68 121.20 126.93 1yra s ILE 130 Ca 0.18 -0.39 0.06 0.00 -0.26 0.00 0.00 60.65 60.25 1yra s ILE 130 Cb -0.15 -3.19 -0.02 0.00 1.25 0.00 0.00 42.46 40.35 1yra s ILE 130 CO 0.16 0.35 -0.18 -0.44 0.24 0.00 0.00 174.94 175.07 1yra s SER 131 N -1.74 2.16 -0.07 4.36 0.01 -0.61 -4.36 113.70 113.45 1yra s SER 131 Ca 0.23 -0.45 -0.30 0.00 1.31 0.00 0.00 55.95 56.74 1yra s SER 131 Cb -0.12 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 1yra s SER 131 CO 0.14 0.14 1.34 -0.62 0.41 0.00 0.00 173.24 174.66 1yra s ASP 132 N -0.97 6.90 0.48 2.44 -1.08 -1.26 -1.49 116.67 121.70 1yra s ASP 132 Ca 0.06 1.93 0.32 0.00 -0.52 0.00 0.00 52.55 54.34 1yra s ASP 132 Cb -0.08 -2.55 1.75 0.00 -1.46 0.00 0.00 42.92 40.58 1yra s ASP 132 CO 0.01 -0.73 1.99 -0.65 0.52 0.00 0.00 175.17 176.32 1yra h PRO 133 N 8.08 0.00 0.00 4.34 0.11 -1.91 -2.69 132.00 139.93 1yra h PRO 133 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1yra h PRO 133 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1yra h PRO 133 CO 0.92 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.10 1yra n GLU 134 N -2.65 0.23 0.00 1.05 -0.58 -1.26 -1.49 120.64 115.94 1yra n GLU 134 Ca -0.02 0.13 0.12 0.00 -0.42 0.00 0.00 57.16 56.97 1yra n GLU 134 Cb 0.06 -1.50 0.22 0.00 -0.57 0.00 0.00 31.44 29.65 1yra n GLU 134 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1yra n ILE 135 N -1.25 0.00 -2.70 -3.67 -5.35 -1.01 -4.60 119.36 100.78 1yra n ILE 135 Ca 0.07 -0.10 -0.43 0.00 -0.27 0.00 0.00 62.75 62.02 1yra n ILE 135 Cb 0.10 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 38.58 1yra n ILE 135 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1yra n LEU 136 N -0.88 5.87 -0.09 7.28 4.77 -0.56 -4.66 117.00 128.73 1yra n LEU 136 Ca 0.09 -4.58 -0.08 0.00 -0.03 0.00 0.00 56.01 51.41 1yra n LEU 136 Cb 0.36 -1.55 -0.15 0.00 -2.33 0.00 0.00 43.42 39.75 1yra n LEU 136 CO 0.31 1.05 -1.10 0.29 -1.33 0.00 0.00 177.39 176.60 1yra n LYS 137 N 4.68 0.83 -4.32 3.23 5.02 -1.26 -5.01 118.16 121.33 1yra n LYS 137 Ca 0.37 -0.02 -0.17 0.00 -2.02 0.00 0.00 58.31 56.48 1yra n LYS 137 Cb 0.40 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.81 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 -2.53 1.31 0.25 1.97 -2.85 -1.26 -5.06 119.74 111.58 1yra s LYS 138 Ca -0.09 -1.66 -0.04 0.00 -1.00 0.00 0.00 55.97 53.17 1yra s LYS 138 Cb 0.06 -0.56 0.50 0.00 -2.06 0.00 0.00 37.83 35.77 1yra s LYS 138 CO 0.80 -0.11 1.67 -1.35 0.10 0.00 0.00 175.35 176.46 1yra h PRO 139 N 2.49 0.23 0.00 1.78 0.11 -1.97 -1.95 132.00 132.70 1yra h PRO 139 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1yra h PRO 139 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1yra h PRO 139 CO 0.64 0.15 0.00 -2.95 -0.21 0.00 0.00 178.00 175.63 1yra h ASN 140 N 0.24 0.00 -0.85 -2.05 7.08 -1.97 -1.16 115.58 116.87 1yra h ASN 140 Ca 0.44 0.00 0.12 0.00 -3.08 0.00 0.00 56.30 53.78 1yra h ASN 140 Cb 0.78 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 36.96 1yra h ASN 140 CO -0.56 0.00 0.55 0.44 -2.08 0.00 0.00 177.43 175.79 1yra h ASP 141 N 0.00 0.66 0.05 6.14 3.32 -1.69 0.54 116.42 125.43 1yra h ASP 141 Ca 0.00 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 1yra h ASP 141 Cb 0.62 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1yra h ASP 141 CO 0.00 0.36 -0.30 1.88 -1.72 0.00 0.00 179.24 179.46 1yra h TYR 142 N 0.71 0.43 0.05 4.55 0.05 -1.28 -1.35 116.97 120.13 1yra h TYR 142 Ca 0.41 -0.10 -0.26 0.00 0.05 0.00 0.00 58.73 58.83 1yra h TYR 142 Cb 0.60 -0.10 0.01 0.00 1.01 0.00 0.00 36.73 38.25 1yra h TYR 142 CO -0.00 0.65 -1.09 0.00 -1.05 0.00 0.00 178.16 176.66 1yra h PHE 144 N 0.26 -1.35 -0.77 0.00 3.57 0.31 -0.35 116.94 118.61 1yra h PHE 144 Ca -0.13 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.53 1yra h PHE 144 Cb 1.75 0.55 -0.09 0.00 2.79 0.00 0.00 35.95 40.95 1yra h PHE 144 CO 0.08 -0.59 0.34 0.28 -2.23 0.00 0.00 178.31 176.19 1yra h VAL 145 N -0.82 0.70 -0.40 1.41 2.07 -1.34 0.11 116.25 117.96 1yra h VAL 145 Ca -0.03 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 1yra h VAL 145 Cb 0.76 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1yra h VAL 145 CO -0.15 0.09 0.06 0.03 0.02 0.00 0.00 177.57 177.62 1yra h ARG 146 N 0.50 0.67 0.00 1.57 3.08 -1.28 -1.99 114.38 116.93 1yra h ARG 146 Ca 0.42 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 60.17 1yra h ARG 146 Cb 0.60 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1yra h ARG 146 CO -0.38 0.72 -0.57 0.74 -1.07 0.00 0.00 179.97 179.42 1yra h PHE 147 N 0.52 0.00 -0.53 3.04 0.04 -0.59 -2.65 116.94 116.76 1yra h PHE 147 Ca 0.12 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.78 1yra h PHE 147 Cb 0.38 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 1yra h PHE 147 CO 0.03 0.57 -0.10 0.35 -0.60 0.00 0.00 178.31 178.55 1yra h PHE 148 N 0.00 1.12 -0.50 -0.55 3.57 -0.64 -0.57 116.94 119.38 1yra h PHE 148 Ca -0.01 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.27 1yra h PHE 148 Cb 1.03 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 1yra h PHE 148 CO 0.00 1.05 0.33 0.00 -2.23 0.00 0.00 178.31 177.45 1yra h ALA 149 N 0.92 0.63 -0.86 2.41 0.00 -1.25 0.83 119.26 121.94 1yra h ALA 149 Ca 0.14 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1yra h ALA 149 Cb 0.67 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1yra h ALA 149 CO 0.05 0.08 0.52 -0.07 0.00 0.00 0.00 179.25 179.83 1yra h LEU 150 N 0.67 0.79 -0.67 0.00 4.07 -1.30 0.20 115.31 119.07 1yra h LEU 150 Ca 0.18 0.03 -0.04 0.00 0.08 0.00 0.00 57.88 58.13 1yra h LEU 150 Cb -0.07 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.51 1yra h LEU 150 CO -0.04 0.48 0.25 0.25 -1.08 0.00 0.00 178.44 178.30 1yra h LEU 151 N 0.91 0.94 -0.50 1.67 5.85 -0.28 0.17 115.31 124.07 1yra h LEU 151 Ca 0.39 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 1yra h LEU 151 Cb 0.27 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1yra h LEU 151 CO -0.21 0.87 0.06 0.40 -0.34 0.00 0.00 178.44 179.22 1yra h ILE 152 N 0.96 1.25 -0.89 4.05 2.04 0.02 0.21 117.51 125.15 1yra h ILE 152 Ca 0.22 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1yra h ILE 152 Cb 0.23 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1yra h ILE 152 CO -0.02 0.35 0.50 -0.78 0.00 0.00 0.00 178.15 178.20 1yra h ASP 153 N 0.72 1.09 0.41 1.72 1.82 -0.06 0.34 116.42 122.46 1yra h ASP 153 Ca 0.15 -0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.68 1yra h ASP 153 Cb 0.44 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.17 1yra h ASP 153 CO 0.01 0.87 -0.20 0.25 -1.61 0.00 0.00 179.24 178.56 1yra h LEU 154 N 1.24 -0.46 -0.28 2.28 5.85 -0.18 0.03 115.31 123.77 1yra h LEU 154 Ca 0.31 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.96 1yra h LEU 154 Cb 0.00 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1yra h LEU 154 CO -0.05 -0.17 0.13 -0.09 -0.34 0.00 0.00 178.44 177.92 1yra h ARG 155 N -0.77 0.26 0.00 1.25 9.65 -0.28 -3.04 114.38 121.45 1yra h ARG 155 Ca -0.06 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1yra h ARG 155 Cb 0.53 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 1yra h ARG 155 CO 0.09 0.17 -0.87 1.28 2.80 0.00 0.00 179.97 183.45 1yra n LEU 156 N -4.99 0.70 -2.99 3.80 4.77 0.08 -4.97 117.00 113.41 1yra n LEU 156 Ca -0.01 -0.18 -0.18 0.00 -0.03 0.00 0.00 56.01 55.61 1yra n LEU 156 Cb 0.08 -0.11 0.07 0.00 -2.33 0.00 0.00 43.42 41.13 1yra n LEU 156 CO 0.30 0.14 0.17 0.61 -1.33 0.00 0.00 177.39 177.29 1yra n GLY 157 N 1.46 -0.24 2.96 -0.72 0.00 -0.01 -4.52 105.19 104.12 1yra n GLY 157 Ca 0.04 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.27 -0.13 -0.30 4.61 0.00 -1.18 -4.99 121.76 116.50 1yra s ALA 158 Ca 0.35 0.03 -0.36 0.00 0.00 0.00 0.00 51.96 51.97 1yra s ALA 158 Cb -0.15 -0.05 -0.13 0.00 0.00 0.00 0.00 23.12 22.80 1yra s ALA 158 CO 0.59 -0.07 2.05 2.41 0.00 0.00 0.00 175.76 180.74 1yra n THR 159 N 2.66 0.27 -4.02 0.00 -1.04 -1.26 -4.46 114.28 106.43 1yra n THR 159 Ca -0.15 -0.18 -0.35 0.00 -2.04 0.00 0.00 64.05 61.33 1yra n THR 159 Cb 0.58 -1.56 -0.11 0.00 -1.82 0.00 0.00 70.33 67.43 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 5.99 4.60 -0.24 12.58 2.01 -1.26 -1.30 115.64 138.01 1yra s THR 160 Ca 1.05 -0.10 -0.08 0.00 0.31 0.00 0.00 61.69 62.88 1yra s THR 160 Cb -0.90 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 1yra s THR 160 CO 0.54 0.44 0.08 -0.63 -0.69 0.00 0.00 174.62 174.36 1yra s ILE 161 N 0.59 4.49 0.07 1.82 -1.09 0.12 -4.96 121.20 122.23 1yra s ILE 161 Ca 0.02 -0.12 -0.23 0.00 -2.23 0.00 0.00 60.65 58.10 1yra s ILE 161 Cb -0.13 -3.09 -0.06 0.00 -1.58 0.00 0.00 42.46 37.60 1yra s ILE 161 CO 0.01 0.35 0.69 -2.16 -1.23 0.00 0.00 174.94 172.60 1yra s PRO 162 N 1.40 4.41 0.06 2.79 0.04 -1.26 -0.24 135.00 142.20 1yra s PRO 162 Ca 0.05 0.94 -0.04 0.00 0.04 0.00 0.00 61.00 61.99 1yra s PRO 162 Cb -0.15 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 31.07 1yra s PRO 162 CO 0.04 0.45 0.07 0.00 0.04 0.00 0.00 177.00 177.61 1yra s ALA 163 N -0.60 0.14 -0.08 8.56 0.00 0.15 -0.44 121.76 129.49 1yra s ALA 163 Ca 0.34 -0.88 -0.04 0.00 0.00 0.00 0.00 51.96 51.39 1yra s ALA 163 Cb -0.20 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1yra s ALA 163 CO 0.22 -0.41 0.08 -0.51 0.00 0.00 0.00 175.76 175.14 1yra s LEU 164 N -2.74 4.00 0.46 0.00 1.43 0.37 -1.57 118.68 120.64 1yra s LEU 164 Ca 0.04 0.28 0.07 0.00 -1.03 0.00 0.00 54.13 53.49 1yra s LEU 164 Cb 0.05 -2.04 -0.00 0.00 0.03 0.00 0.00 46.19 44.22 1yra s LEU 164 CO -0.09 0.37 0.37 0.21 0.23 0.00 0.00 176.35 177.43 1yra s ASN 165 N -1.16 4.82 -1.76 2.29 3.04 -0.55 0.04 114.94 121.67 1yra s ASN 165 Ca 0.16 -0.95 0.00 0.00 0.04 0.00 0.00 52.86 52.11 1yra s ASN 165 Cb -0.12 -0.24 0.00 0.00 -1.54 0.00 0.00 41.25 39.35 1yra s ASN 165 CO 0.06 -0.79 0.00 0.29 -3.04 0.00 0.00 177.10 173.62 1yra n LYS 166 N -1.58 -1.62 0.23 0.43 5.02 -1.11 -4.04 118.16 115.47 1yra n LYS 166 Ca 0.02 1.00 0.16 0.00 -2.02 0.00 0.00 58.31 57.46 1yra n LYS 166 Cb 0.63 -5.62 0.72 0.00 -0.02 0.00 0.00 35.03 30.74 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 -0.89 -0.18 -1.51 -1.73 -2.38 116.25 109.56 1yra h VAL 167 Ca -0.48 -0.23 0.19 0.00 -1.23 0.00 0.00 66.70 64.94 1yra h VAL 167 Cb 1.36 1.06 -0.07 0.00 -2.13 0.00 0.00 31.29 31.51 1yra h VAL 167 CO 0.57 0.00 0.58 -2.24 -1.23 0.00 0.00 177.57 175.26 1yra h ASP 168 N 0.00 0.44 0.67 4.19 2.03 -1.89 -1.62 116.42 120.24 1yra h ASP 168 Ca 0.00 0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 1yra h ASP 168 Cb 0.27 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 1yra h ASP 168 CO 0.00 0.19 -0.01 0.18 -1.03 0.00 0.00 179.24 178.57 1yra n LEU 169 N -4.52 0.02 -4.60 0.15 4.77 -0.90 -4.85 117.00 107.08 1yra n LEU 169 Ca 0.19 0.33 -0.43 0.00 -0.03 0.00 0.00 56.01 56.07 1yra n LEU 169 Cb 0.65 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 41.37 1yra n LEU 169 CO 0.30 0.00 0.77 -0.76 -1.33 0.00 0.00 177.39 176.38 1yra s LEU 170 N -2.68 3.98 0.55 2.23 1.43 -0.61 -5.02 118.68 118.56 1yra s LEU 170 Ca 0.25 0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 53.64 1yra s LEU 170 Cb 0.20 -3.26 -0.10 0.00 0.03 0.00 0.00 46.19 43.06 1yra s LEU 170 CO 0.48 -0.92 0.47 -1.54 0.23 0.00 0.00 176.35 175.07 1yra n SER 171 N 6.91 -1.27 0.22 2.29 3.41 -1.26 -4.71 113.62 119.21 1yra n SER 171 Ca 0.07 0.74 0.14 0.00 -0.26 0.00 0.00 58.87 59.57 1yra n SER 171 Cb 0.48 -1.14 0.46 0.00 -0.26 0.00 0.00 64.21 63.75 1yra n SER 171 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1yra h GLU 172 N 0.27 0.00 0.28 4.33 4.57 -1.98 -1.05 114.58 120.99 1yra h GLU 172 Ca -0.45 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.72 1yra h GLU 172 Cb 1.40 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.00 1yra h GLU 172 CO 0.47 0.00 -0.13 1.05 -1.18 0.00 0.00 179.01 179.21 1yra h GLU 173 N 0.00 -0.36 -0.86 1.92 4.11 -2.00 -2.00 114.58 115.39 1yra h GLU 173 Ca 0.00 0.02 0.18 0.00 0.07 0.00 0.00 59.36 59.64 1yra h GLU 173 Cb 0.67 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 29.85 1yra h GLU 173 CO 0.00 -0.02 -0.15 0.93 0.07 0.00 0.00 179.01 179.84 1yra h GLU 174 N -0.80 0.02 -0.86 1.06 5.08 -1.85 -0.45 114.58 116.78 1yra h GLU 174 Ca -0.04 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1yra h GLU 174 Cb 0.51 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 1yra h GLU 174 CO 0.06 0.01 0.51 0.87 -1.00 0.00 0.00 179.01 179.46 1yra h LYS 175 N 0.02 1.18 0.09 2.33 1.57 -1.12 -2.52 116.57 118.12 1yra h LYS 175 Ca 0.43 -0.11 -0.25 0.00 -1.87 0.00 0.00 60.65 58.85 1yra h LYS 175 Cb 0.71 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1yra h LYS 175 CO -0.85 0.83 -1.15 1.49 -0.57 0.00 0.00 179.45 179.20 1yra h GLU 176 N 1.20 0.22 0.21 3.15 4.57 -0.49 -2.73 114.58 120.71 1yra h GLU 176 Ca 0.31 -0.35 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1yra h GLU 176 Cb -0.03 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1yra h GLU 176 CO -0.06 1.15 -0.23 -0.09 -1.18 0.00 0.00 179.01 178.60 1yra h ARG 177 N 0.07 -0.43 -0.85 1.92 2.43 -1.03 0.87 114.38 117.36 1yra h ARG 177 Ca -0.10 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.27 1yra h ARG 177 Cb 1.88 0.10 -0.16 0.00 -0.42 0.00 0.00 29.97 31.37 1yra h ARG 177 CO 0.18 -0.29 -0.23 0.45 -1.51 0.00 0.00 179.97 178.58 1yra h HIS 178 N -0.45 -0.50 -0.43 2.20 3.86 -1.54 0.42 115.15 118.71 1yra h HIS 178 Ca -0.03 0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1yra h HIS 178 Cb 0.39 0.35 -0.02 0.00 1.06 0.00 0.00 27.41 29.20 1yra h HIS 178 CO -0.17 -0.37 0.28 0.00 0.86 0.00 0.00 177.93 178.53 1yra h ARG 179 N -0.01 0.57 0.20 2.45 3.08 -1.34 0.10 114.38 119.44 1yra h ARG 179 Ca 0.40 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.40 1yra h ARG 179 Cb 0.62 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1yra h ARG 179 CO -0.88 0.39 -0.10 -0.22 -1.07 0.00 0.00 179.97 178.10 1yra h LYS 180 N 0.58 -0.26 -0.50 0.04 3.64 0.12 1.91 116.57 122.10 1yra h LYS 180 Ca 0.16 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.63 1yra h LYS 180 Cb -0.05 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.77 1yra h LYS 180 CO -0.03 -0.10 0.16 1.88 -2.27 0.00 0.00 179.45 179.08 1yra h TYR 181 N -0.36 0.27 -0.15 1.91 0.05 -1.10 0.41 116.97 118.01 1yra h TYR 181 Ca -0.03 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.64 1yra h TYR 181 Cb 0.28 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.97 1yra h TYR 181 CO -0.04 0.07 -0.46 0.74 -1.05 0.00 0.00 178.16 177.42 1yra h PHE 182 N 0.32 0.75 0.02 4.88 0.04 -0.42 -3.34 116.94 119.19 1yra h PHE 182 Ca 0.24 -0.30 -0.21 0.00 2.80 0.00 0.00 57.97 60.49 1yra h PHE 182 Cb 0.28 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 1yra h PHE 182 CO -0.18 1.07 -1.01 0.93 -0.60 0.00 0.00 178.31 178.53 1yra h GLU 183 N 0.22 0.05 -3.29 1.51 5.08 0.31 -3.40 114.58 115.05 1yra h GLU 183 Ca -0.02 -0.07 -0.72 0.00 -1.00 0.00 0.00 59.36 57.55 1yra h GLU 183 Cb 1.09 0.03 -0.34 0.00 0.50 0.00 0.00 28.75 30.03 1yra h GLU 183 CO 0.10 1.01 0.05 -3.47 -1.00 0.00 0.00 179.01 175.69 1yra n ASP 184 N -3.41 4.57 0.27 1.42 -0.08 0.14 -4.91 116.55 114.55 1yra n ASP 184 Ca -0.01 -3.14 0.15 0.00 -1.51 0.00 0.00 54.79 50.27 1yra n ASP 184 Cb 0.93 -1.11 0.75 0.00 2.34 0.00 0.00 41.12 44.02 1yra n ASP 184 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1yra h ILE 185 N 3.89 0.34 -0.19 5.18 2.10 -1.78 -0.18 117.51 126.86 1yra h ILE 185 Ca 0.17 -0.55 -0.01 0.00 1.08 0.00 0.00 64.86 65.56 1yra h ILE 185 Cb 0.80 1.40 -0.01 0.00 -1.09 0.00 0.00 36.82 37.93 1yra h ILE 185 CO 0.92 0.09 0.08 0.44 -1.08 0.00 0.00 178.15 178.59 1yra h ASP 186 N 0.00 0.26 -0.54 2.19 3.45 -1.93 -1.29 116.42 118.55 1yra h ASP 186 Ca -0.00 -0.15 -0.02 0.00 0.43 0.00 0.00 57.03 57.28 1yra h ASP 186 Cb 0.40 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.08 1yra h ASP 186 CO 0.01 0.34 0.24 0.22 -1.57 0.00 0.00 179.24 178.49 1yra h TYR 187 N 0.15 0.79 0.30 4.55 5.03 -1.48 -2.04 116.97 124.27 1yra h TYR 187 Ca 0.06 -0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 1yra h TYR 187 Cb 0.16 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.20 1yra h TYR 187 CO -0.02 0.62 -0.15 1.25 -1.32 0.00 0.00 178.16 178.55 1yra h LEU 188 N 0.72 -0.34 -1.02 2.82 6.46 -1.07 -2.19 115.31 120.69 1yra h LEU 188 Ca 0.18 -0.03 0.20 0.00 -0.12 0.00 0.00 57.88 58.12 1yra h LEU 188 Cb 0.14 0.09 -0.11 0.00 -0.73 0.00 0.00 40.66 40.05 1yra h LEU 188 CO -0.02 -0.20 0.61 0.74 -0.62 0.00 0.00 178.44 178.95 1yra h THR 189 N -0.46 0.67 -0.33 1.05 2.02 -1.16 -1.57 112.91 113.14 1yra h THR 189 Ca -0.04 -0.25 -0.17 0.00 0.77 0.00 0.00 66.41 66.72 1yra h THR 189 Cb 0.35 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1yra h THR 189 CO 0.07 0.13 -0.46 0.00 0.37 0.00 0.00 175.52 175.63 1yra h ALA 190 N 1.66 0.57 -0.23 6.16 0.00 -1.09 -1.03 119.26 125.30 1yra h ALA 190 Ca 0.59 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1yra h ALA 190 Cb 0.97 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1yra h ALA 190 CO -0.40 0.68 -0.45 -0.09 0.00 0.00 0.00 179.25 178.99 1yra h ARG 191 N 0.69 0.59 0.00 0.00 1.12 -0.77 -2.71 114.38 113.29 1yra h ARG 191 Ca 0.04 -0.32 -0.09 0.00 -1.11 0.00 0.00 59.98 58.50 1yra h ARG 191 Cb 1.05 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 31.01 1yra h ARG 191 CO 0.10 0.92 -0.41 -0.07 -3.11 0.00 0.00 179.97 177.41 1yra h LEU 192 N 0.48 0.00 -1.22 3.80 3.38 -1.16 -2.59 115.31 118.00 1yra h LEU 192 Ca 0.03 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.10 1yra h LEU 192 Cb 0.97 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 1yra h LEU 192 CO 0.09 0.41 0.57 0.50 0.09 0.00 0.00 178.44 180.09 1yra h LYS 193 N 0.00 0.84 0.00 1.13 3.11 -0.86 -2.76 116.57 118.03 1yra h LYS 193 Ca -0.00 -0.05 -0.08 0.00 -2.81 0.00 0.00 60.65 57.71 1yra h LYS 193 Cb 0.75 -0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 31.78 1yra h LYS 193 CO 0.05 0.55 -0.37 -0.07 -2.81 0.00 0.00 179.45 176.81 1yra h LEU 194 N 0.86 0.00 -9.34 5.20 4.07 -1.34 -3.44 115.31 111.32 1yra h LEU 194 Ca 0.41 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.83 1yra h LEU 194 Cb 0.42 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.16 1yra h LEU 194 CO -0.17 0.37 1.09 -0.62 -1.08 0.00 0.00 178.44 178.02 1yra s ASP 195 N -6.50 6.61 0.09 -0.43 3.68 -1.04 -4.88 116.67 114.19 1yra s ASP 195 Ca -0.01 2.40 0.25 0.00 2.13 0.00 0.00 52.55 57.32 1yra s ASP 195 Cb 0.12 -2.54 0.48 0.00 -1.45 0.00 0.00 42.92 39.53 1yra s ASP 195 CO 0.69 -0.94 1.42 -0.81 0.13 0.00 0.00 175.17 175.66 1yra n PRO 196 N 6.70 0.19 -1.16 4.34 -0.05 -1.26 -4.30 135.00 139.47 1yra n PRO 196 Ca 0.17 0.07 -0.34 0.00 -0.05 0.00 0.00 63.50 63.35 1yra n PRO 196 Cb 0.42 -1.63 0.11 0.00 -0.05 0.00 0.00 33.50 32.35 1yra n PRO 196 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 1yra n SER 197 N -1.92 0.54 -0.12 3.54 3.41 -1.26 -4.80 113.62 113.01 1yra n SER 197 Ca 0.04 0.59 0.02 0.00 -0.26 0.00 0.00 58.87 59.26 1yra n SER 197 Cb 0.40 -1.45 0.31 0.00 -0.26 0.00 0.00 64.21 63.22 1yra n SER 197 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1yra h MET 198 N -0.76 0.80 -0.06 4.33 2.86 -2.01 -1.64 114.93 118.44 1yra h MET 198 Ca -0.46 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 56.98 1yra h MET 198 Cb 1.31 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.78 1yra h MET 198 CO 0.45 0.54 -0.59 1.96 1.06 0.00 0.00 176.91 180.33 1yra h GLN 199 N 0.82 0.21 -0.43 1.72 1.08 -1.97 -3.20 115.11 113.34 1yra h GLN 199 Ca 0.22 -0.14 -0.14 0.00 -1.45 0.00 0.00 58.65 57.13 1yra h GLN 199 Cb -0.07 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 1yra h GLN 199 CO -0.04 0.74 -0.30 0.78 -0.95 0.00 0.00 178.83 179.06 1yra h GLY 200 N 1.50 1.04 0.71 3.46 0.00 -1.60 -3.06 103.07 105.12 1yra h GLY 200 Ca -0.00 -1.00 0.05 0.00 0.00 0.00 0.00 47.33 46.38 1yra h GLY 200 CO 0.09 0.90 0.32 -2.00 0.00 0.00 0.00 176.54 175.85 1yra h LEU 201 N 0.80 0.47 -0.37 3.11 5.85 -1.42 -0.68 115.31 123.06 1yra h LEU 201 Ca 0.08 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1yra h LEU 201 Cb 0.88 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1yra h LEU 201 CO 0.08 0.31 0.10 -0.03 -0.34 0.00 0.00 178.44 178.56 1yra h MET 202 N 0.60 0.59 -0.24 1.25 4.05 -1.58 -0.03 114.93 119.57 1yra h MET 202 Ca 0.26 -0.13 -0.01 0.00 -0.28 0.00 0.00 59.70 59.53 1yra h MET 202 Cb 0.15 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 1yra h MET 202 CO -0.17 0.61 0.09 0.00 0.23 0.00 0.00 176.91 177.68 1yra h ALA 203 N 0.94 0.31 -0.57 0.39 0.00 -1.43 0.30 119.26 119.21 1yra h ALA 203 Ca 0.12 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.02 1yra h ALA 203 Cb 0.28 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 1yra h ALA 203 CO -0.00 -0.09 0.10 -0.92 0.00 0.00 0.00 179.25 178.33 1yra h TYR 204 N 0.23 0.15 0.79 0.00 5.03 -0.90 -2.57 116.97 119.70 1yra h TYR 204 Ca 0.08 0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.39 1yra h TYR 204 Cb 0.18 0.02 0.01 0.00 1.55 0.00 0.00 36.73 38.49 1yra h TYR 204 CO -0.01 -0.04 -0.38 -0.22 -1.32 0.00 0.00 178.16 176.19 1yra h LYS 205 N 0.23 -1.02 -1.28 1.82 3.64 -0.80 -3.06 116.57 116.10 1yra h LYS 205 Ca 0.29 0.07 0.37 0.00 -1.27 0.00 0.00 60.65 60.11 1yra h LYS 205 Cb 0.43 0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 32.43 1yra h LYS 205 CO -0.40 -0.67 1.24 0.52 -2.27 0.00 0.00 179.45 177.88 1yra h MET 206 N -1.10 0.00 -2.30 1.90 2.86 -0.00 -1.79 114.93 114.49 1yra h MET 206 Ca -0.11 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 1yra h MET 206 Cb 0.82 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 1yra h MET 206 CO 0.18 0.00 0.07 0.00 1.06 0.00 0.00 176.91 178.22 1yra n SER 208 N 2.31 0.70 -4.64 0.00 7.64 -0.67 -4.75 113.62 114.20 1yra n SER 208 Ca 0.09 0.58 -0.42 0.00 1.01 0.00 0.00 58.87 60.12 1yra n SER 208 Cb 0.29 -0.76 -0.03 0.00 -1.01 0.00 0.00 64.21 62.70 1yra n SER 208 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yra s MET 209 N -3.11 3.90 0.00 1.43 0.23 -1.19 -4.70 119.30 115.86 1yra s MET 209 Ca 0.10 2.29 0.00 0.00 -1.03 0.00 0.00 55.69 57.05 1yra s MET 209 Cb 0.13 -4.16 0.00 0.00 -1.53 0.00 0.00 34.83 29.27 1yra s MET 209 CO 0.57 -1.21 0.00 0.00 -2.03 0.00 0.00 175.02 172.34 1yra n MET 210 N 7.73 -0.03 0.00 3.16 0.00 -1.25 -4.81 117.12 121.93 1yra n MET 210 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.91 1yra n MET 210 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.65 1yra n MET 210 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1yra n THR 211 N 9.00 0.00 -2.45 3.17 -1.04 -1.26 -2.76 114.28 118.94 1yra n THR 211 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1yra n THR 211 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 1yra n THR 211 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1yra n GLU 212 N 0.00 3.03 -0.88 -2.82 2.13 -1.26 -4.80 120.64 116.03 1yra n GLU 212 Ca 0.00 -3.14 0.00 0.00 0.66 0.00 0.00 57.16 54.68 1yra n GLU 212 Cb 0.00 -3.49 0.00 0.00 0.27 0.00 0.00 31.44 28.22 1yra n GLU 212 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1yra n VAL 213 N 6.39 -3.33 0.00 6.31 0.31 -1.11 -5.00 118.33 121.90 1yra n VAL 213 Ca 0.49 1.29 0.00 0.00 -0.01 0.00 0.00 64.34 66.11 1yra n VAL 213 Cb 0.45 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.42 1yra n VAL 213 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1yra n LEU 214 N -0.52 0.00 -4.74 7.52 4.77 -1.26 -3.78 117.00 119.00 1yra n LEU 214 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1yra n LEU 214 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1yra n LEU 214 CO 0.00 0.00 1.28 -2.65 -1.33 0.00 0.00 177.39 174.69 1yra n PRO 215 N -1.11 2.73 -1.57 3.23 -0.02 -1.26 -3.93 135.00 133.08 1yra n PRO 215 Ca 0.00 0.98 -0.48 0.00 -2.02 0.00 0.00 63.50 61.98 1yra n PRO 215 Cb 0.00 -2.78 -0.05 0.00 -0.02 0.00 0.00 33.50 30.65 1yra n PRO 215 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1yra n PRO 216 N 2.63 1.69 -3.18 0.52 -0.04 -1.26 -4.97 135.00 130.40 1yra n PRO 216 Ca 0.10 0.53 -0.31 0.00 -0.04 0.00 0.00 63.50 63.78 1yra n PRO 216 Cb 0.36 -2.74 -0.04 0.00 -0.04 0.00 0.00 33.50 31.04 1yra n PRO 216 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1yra s VAL 217 N 6.52 4.85 0.23 0.52 -7.23 -1.26 -4.99 120.40 119.04 1yra s VAL 217 Ca 1.02 0.54 -0.32 0.00 -1.81 0.00 0.00 61.98 61.41 1yra s VAL 217 Cb -0.66 -3.67 -0.13 0.00 0.56 0.00 0.00 36.38 32.49 1yra s VAL 217 CO 0.46 -0.28 1.59 -1.14 -0.31 0.00 0.00 175.10 175.42 1yra n ARG 218 N -0.68 2.47 -2.97 4.82 0.63 -1.26 -4.90 116.66 114.76 1yra n ARG 218 Ca 0.01 0.88 -0.40 0.00 -0.92 0.00 0.00 57.85 57.42 1yra n ARG 218 Cb 0.53 -2.65 -0.04 0.00 0.45 0.00 0.00 32.46 30.74 1yra n ARG 218 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1yra s VAL 219 N 0.50 4.94 0.14 5.15 1.01 -1.26 -4.56 120.40 126.32 1yra s VAL 219 Ca 0.71 1.60 -0.15 0.00 0.00 0.00 0.00 61.98 64.15 1yra s VAL 219 Cb -0.57 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 31.63 1yra s VAL 219 CO 0.42 0.26 0.55 -0.76 0.00 0.00 0.00 175.10 175.57 1yra s LEU 220 N 0.65 4.35 -0.27 3.92 1.43 0.42 -4.92 118.68 124.27 1yra s LEU 220 Ca 0.41 1.10 -0.04 0.00 -1.03 0.00 0.00 54.13 54.57 1yra s LEU 220 Cb -0.19 -3.24 0.02 0.00 0.03 0.00 0.00 46.19 42.81 1yra s LEU 220 CO 0.21 0.12 -0.00 -0.31 0.23 0.00 0.00 176.35 176.60 1yra s TYR 221 N -1.43 3.10 0.17 0.29 2.02 -1.26 0.14 117.35 120.38 1yra s TYR 221 Ca 0.37 -1.31 0.10 0.00 -0.37 0.00 0.00 57.07 55.85 1yra s TYR 221 Cb -0.15 -2.14 -0.04 0.00 -0.40 0.00 0.00 41.96 39.23 1yra s TYR 221 CO 0.19 -0.66 -0.21 -0.51 -1.57 0.00 0.00 175.55 172.79 1yra s LEU 222 N 1.40 2.42 -0.13 -1.29 1.43 0.11 -3.80 118.68 118.81 1yra s LEU 222 Ca 0.01 -0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 52.25 1yra s LEU 222 Cb -0.17 -0.98 0.04 0.00 0.03 0.00 0.00 46.19 45.11 1yra s LEU 222 CO -0.02 0.04 -0.01 -0.55 0.23 0.00 0.00 176.35 176.04 1yra s SER 223 N -2.59 2.30 0.00 2.29 0.15 0.35 -2.25 113.70 113.94 1yra s SER 223 Ca 0.17 -0.44 0.22 0.00 0.70 0.00 0.00 55.95 56.60 1yra s SER 223 Cb -0.07 -0.65 0.95 0.00 -1.71 0.00 0.00 66.02 64.54 1yra s SER 223 CO 0.08 -0.21 1.71 0.00 1.20 0.00 0.00 173.24 176.02 1yra n ALA 224 N 5.03 2.02 -0.02 5.45 0.00 -1.26 -0.25 120.51 131.48 1yra n ALA 224 Ca -0.09 -0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.05 1yra n ALA 224 Cb 0.49 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.45 1yra n ALA 224 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1yra h LYS 225 N 0.00 0.21 -0.00 0.00 3.64 -1.94 -3.43 116.57 115.05 1yra h LYS 225 Ca 0.00 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1yra h LYS 225 Cb 0.38 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1yra h LYS 225 CO 0.00 1.17 -0.24 0.25 -2.27 0.00 0.00 179.45 178.36 1yra n THR 226 N -3.73 0.00 -1.08 1.00 -2.24 -1.17 -5.00 114.28 102.07 1yra n THR 226 Ca -0.32 -0.38 -0.03 0.00 -2.27 0.00 0.00 64.05 61.06 1yra n THR 226 Cb 0.96 1.07 -0.01 0.00 -2.10 0.00 0.00 70.33 70.25 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 -0.54 -0.63 -1.69 -0.78 1.74 0.65 -4.99 116.66 110.42 1yra n ARG 227 Ca 0.03 0.39 -0.44 0.00 -0.77 0.00 0.00 57.85 57.06 1yra n ARG 227 Cb 0.17 -4.02 -0.04 0.00 -1.02 0.00 0.00 32.46 27.55 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 -2.03 2.46 -0.56 5.56 2.13 -1.23 -2.26 120.64 124.72 1yra n GLU 228 Ca -0.03 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.68 1yra n GLU 228 Cb 0.20 -2.71 0.00 0.00 0.27 0.00 0.00 31.44 29.20 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 3.78 1.16 0.29 8.31 0.00 -1.25 -0.50 105.19 116.99 1yra n GLY 229 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 1.07 -0.32 1.61 -1.00 -1.76 0.43 116.94 116.96 1yra h PHE 230 Ca 0.00 -0.12 0.01 0.00 2.81 0.00 0.00 57.97 60.66 1yra h PHE 230 Cb 0.00 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 39.24 1yra h PHE 230 CO 0.00 0.89 0.20 0.93 -1.61 0.00 0.00 178.31 178.72 1yra h GLU 231 N 0.94 0.41 0.14 1.51 3.07 -1.92 0.15 114.58 118.87 1yra h GLU 231 Ca 0.20 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.05 1yra h GLU 231 Cb 0.35 -0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 28.12 1yra h GLU 231 CO 0.00 0.27 -0.45 -0.44 -1.40 0.00 0.00 179.01 176.99 1yra h ASP 232 N 0.42 -1.33 -0.44 1.42 5.19 -1.92 0.24 116.42 119.99 1yra h ASP 232 Ca 0.12 0.14 0.06 0.00 -0.62 0.00 0.00 57.03 56.74 1yra h ASP 232 Cb -0.04 0.49 -0.05 0.00 0.18 0.00 0.00 39.33 39.91 1yra h ASP 232 CO -0.03 -0.52 0.13 0.25 -3.12 0.00 0.00 179.24 175.95 1yra h LEU 233 N -0.70 0.10 -0.89 1.55 5.85 -0.63 0.11 115.31 120.71 1yra h LEU 233 Ca 0.01 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1yra h LEU 233 Cb 0.71 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 1yra h LEU 233 CO -0.25 0.09 0.58 -0.08 -0.34 0.00 0.00 178.44 178.44 1yra h GLU 234 N 0.28 1.11 -0.16 1.25 4.81 -0.58 0.38 114.58 121.67 1yra h GLU 234 Ca 0.21 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1yra h GLU 234 Cb 0.24 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1yra h GLU 234 CO -0.24 0.74 0.03 1.15 -0.73 0.00 0.00 179.01 179.96 1yra h THR 235 N 1.15 1.21 -0.98 0.32 2.02 -0.05 -1.60 112.91 114.97 1yra h THR 235 Ca 0.34 -0.67 0.03 0.00 0.77 0.00 0.00 66.41 66.89 1yra h THR 235 Cb -0.05 1.34 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 1yra h THR 235 CO -0.10 0.20 0.64 -0.07 0.37 0.00 0.00 175.52 176.56 1yra h LEU 236 N 0.07 1.07 -0.59 2.58 -0.00 -0.44 0.14 115.31 118.13 1yra h LEU 236 Ca 0.05 -0.01 -0.15 0.00 -0.00 0.00 0.00 57.88 57.77 1yra h LEU 236 Cb 0.28 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.68 1yra h LEU 236 CO 0.00 0.74 -0.69 0.00 -0.00 0.00 0.00 178.44 178.49 1yra h ALA 237 N 1.40 0.82 -0.09 1.53 0.00 -0.79 0.66 119.26 122.79 1yra h ALA 237 Ca 0.39 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1yra h ALA 237 Cb -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1yra h ALA 237 CO -0.12 0.83 -0.21 -0.92 0.00 0.00 0.00 179.25 178.83 1yra h TYR 238 N 0.06 0.38 -0.01 0.00 3.20 -0.89 -1.96 116.97 117.75 1yra h TYR 238 Ca -0.01 -0.14 0.03 0.00 3.14 0.00 0.00 58.73 61.74 1yra h TYR 238 Cb 1.22 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.39 1yra h TYR 238 CO 0.01 0.82 -0.15 0.93 -1.64 0.00 0.00 178.16 178.13 1yra h GLU 239 N -0.17 -0.24 -0.89 1.82 5.08 -0.84 0.18 114.58 119.52 1yra h GLU 239 Ca -0.00 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.51 1yra h GLU 239 Cb 0.81 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.05 1yra h GLU 239 CO 0.05 -0.16 0.57 1.25 -1.00 0.00 0.00 179.01 179.72 1yra h HIS 240 N -0.25 0.85 -0.27 4.33 2.76 -0.93 0.25 115.15 121.89 1yra h HIS 240 Ca 0.05 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.15 1yra h HIS 240 Cb 0.32 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 1yra h HIS 240 CO -0.21 0.33 -0.27 -0.92 -1.30 0.00 0.00 177.93 175.55 1yra h TYR 241 N 0.73 0.59 -0.13 5.26 5.03 -0.27 -1.67 116.97 126.51 1yra h TYR 241 Ca 0.44 -0.13 -0.11 0.00 2.58 0.00 0.00 58.73 61.50 1yra h TYR 241 Cb 0.66 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.80 1yra h TYR 241 CO -0.00 0.75 -0.37 0.00 -1.32 0.00 0.00 178.16 177.22 1yra h THR 243 N 0.08 1.15 -3.82 0.00 2.02 -0.87 -3.42 112.91 108.04 1yra h THR 243 Ca -0.01 -0.41 -0.49 0.00 0.77 0.00 0.00 66.41 66.28 1yra h THR 243 Cb 0.98 0.56 0.05 0.00 -1.74 0.00 0.00 68.15 68.01 1yra h THR 243 CO 0.08 0.17 0.22 0.00 0.37 0.00 0.00 175.52 176.36 1yra n GLY 245 N -2.56 -0.30 0.00 0.00 0.00 -1.26 -4.88 105.19 96.19 1yra n GLY 245 Ca 0.04 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1yra n GLY 245 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54