#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma h THR 2 N 0.00 1.23 -1.30 0.00 2.02 -2.00 -3.49 112.91 109.37 3cma h THR 2 Ca 0.00 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.40 3cma h THR 2 Cb 0.00 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3cma h THR 2 CO 0.00 0.24 0.00 0.61 0.37 0.00 0.00 175.52 176.74 3cma n GLY 3 N -0.40 2.88 0.14 2.16 0.00 -1.26 -5.02 105.19 103.69 3cma n GLY 3 Ca -0.04 -0.89 -0.02 0.00 0.00 0.00 0.00 46.02 45.07 3cma n GLY 3 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3cma h PRO 4 N 0.00 0.03 0.00 1.61 0.11 -2.07 -3.04 132.00 128.64 3cma h PRO 4 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3cma h PRO 4 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3cma h PRO 4 CO 0.00 0.66 -0.19 -2.13 -0.21 0.00 0.00 178.00 176.13 3cma n ARG 5 N -3.79 0.03 -1.73 1.05 0.63 -1.26 -4.90 116.66 106.68 3cma n ARG 5 Ca -0.01 0.02 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 3cma n ARG 5 Cb 0.63 -1.52 -0.01 0.00 0.45 0.00 0.00 32.46 32.00 3cma n ARG 5 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 3cma n TYR 6 N -1.57 2.69 -3.72 -0.14 9.36 -1.15 -4.97 117.16 117.66 3cma n TYR 6 Ca 0.06 0.35 -0.38 0.00 3.32 0.00 0.00 57.90 61.25 3cma n TYR 6 Cb 0.35 -2.54 -0.12 0.00 -0.63 0.00 0.00 39.34 36.39 3cma n TYR 6 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 3cma s LYS 7 N -0.88 3.24 -0.21 2.98 2.47 -1.26 -4.76 119.74 121.32 3cma s LYS 7 Ca 0.62 -0.76 -0.10 0.00 -1.56 0.00 0.00 55.97 54.17 3cma s LYS 7 Cb -0.53 -3.44 -0.05 0.00 -1.46 0.00 0.00 37.83 32.36 3cma s LYS 7 CO 0.53 -0.41 0.12 0.08 0.16 0.00 0.00 175.35 175.83 3cma s VAL 8 N 1.55 5.25 0.94 4.02 1.01 -1.26 -4.97 120.40 126.94 3cma s VAL 8 Ca 0.04 0.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 3cma s VAL 8 Cb -0.17 -3.40 0.15 0.00 0.00 0.00 0.00 36.38 32.96 3cma s VAL 8 CO 0.04 0.42 1.08 -2.65 0.00 0.00 0.00 175.10 174.00 3cma n PRO 9 N 3.71 -0.58 -1.73 2.72 -0.02 -1.26 -4.91 135.00 132.93 3cma n PRO 9 Ca -0.16 -0.11 -0.40 0.00 -2.02 0.00 0.00 63.50 60.81 3cma n PRO 9 Cb 0.52 -2.33 0.02 0.00 -0.02 0.00 0.00 33.50 31.69 3cma n PRO 9 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3cma n MET 10 N -4.12 2.08 -0.34 -0.52 2.81 -1.26 -4.66 117.12 111.11 3cma n MET 10 Ca 0.11 0.74 -0.02 0.00 -1.81 0.00 0.00 57.70 56.72 3cma n MET 10 Cb 0.52 -2.51 0.03 0.00 -0.71 0.00 0.00 33.22 30.56 3cma n MET 10 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3cma h ARG 11 N 2.16 -0.04 0.00 0.03 2.43 -2.00 0.66 114.38 117.63 3cma h ARG 11 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3cma h ARG 11 Cb 1.28 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3cma h ARG 11 CO 0.60 -0.03 0.00 0.54 -1.51 0.00 0.00 179.97 179.58 3cma n ARG 12 N -5.46 0.19 -0.09 0.20 1.74 -1.26 -1.19 116.66 110.79 3cma n ARG 12 Ca 0.09 0.14 -0.14 0.00 -0.77 0.00 0.00 57.85 57.17 3cma n ARG 12 Cb 0.39 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.26 3cma n ARG 12 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3cma n ARG 13 N -1.20 0.51 0.31 5.56 3.00 0.23 -2.35 116.66 122.72 3cma n ARG 13 Ca 0.05 0.54 0.19 0.00 -0.00 0.00 0.00 57.85 58.63 3cma n ARG 13 Cb 0.07 -1.71 1.06 0.00 0.00 0.00 0.00 32.46 31.87 3cma n ARG 13 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 3cma h ARG 14 N -1.00 0.00 0.00 -0.14 0.11 -1.15 0.69 114.38 112.90 3cma h ARG 14 Ca -0.19 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.89 3cma h ARG 14 Cb 0.94 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.02 3cma h ARG 14 CO -0.12 0.00 0.00 0.93 0.10 0.00 0.00 179.97 180.88 3cma h GLU 15 N 0.00 0.00 -5.00 0.08 5.08 -1.28 -3.47 114.58 109.99 3cma h GLU 15 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.09 3cma h GLU 15 Cb 0.04 0.00 0.14 0.00 0.50 0.00 0.00 28.75 29.43 3cma h GLU 15 CO -0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 179.01 177.39 3cma n ALA 16 N -1.93 -1.59 0.00 3.43 0.00 0.24 -4.95 120.51 115.71 3cma n ALA 16 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3cma n ALA 16 Cb 0.42 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.47 3cma n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3cma n ARG 17 N -3.65 2.75 -4.00 0.00 1.74 -0.99 -5.04 116.66 107.47 3cma n ARG 17 Ca -0.21 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.59 3cma n ARG 17 Cb 0.63 -0.93 -0.17 0.00 -1.02 0.00 0.00 32.46 30.97 3cma n ARG 17 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3cma s THR 18 N -1.83 1.31 -0.97 0.55 2.01 -1.01 -4.76 115.64 110.95 3cma s THR 18 Ca 0.00 -0.47 -0.19 0.00 0.31 0.00 0.00 61.69 61.33 3cma s THR 18 Cb 0.00 -1.27 0.12 0.00 0.01 0.00 0.00 72.50 71.36 3cma s THR 18 CO 0.00 0.42 1.21 -0.62 -0.69 0.00 0.00 174.62 174.94 3cma s ASP 19 N 1.55 6.63 0.54 3.53 -1.08 -1.26 -4.64 116.67 121.94 3cma s ASP 19 Ca 0.04 -1.98 0.24 0.00 -0.52 0.00 0.00 52.55 50.33 3cma s ASP 19 Cb -0.13 -2.43 1.43 0.00 -1.46 0.00 0.00 42.92 40.33 3cma s ASP 19 CO -0.09 -1.14 2.06 1.88 0.52 0.00 0.00 175.17 178.41 3cma h TYR 20 N 8.93 0.00 -0.30 -5.34 -1.99 -1.96 -0.03 116.97 116.27 3cma h TYR 20 Ca 0.18 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.86 3cma h TYR 20 Cb 1.01 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.73 3cma h TYR 20 CO 1.19 0.00 -0.01 0.45 -0.00 0.00 0.00 178.16 179.79 3cma h HIS 21 N 0.00 0.59 -0.16 4.88 3.86 -2.01 -2.23 115.15 120.09 3cma h HIS 21 Ca 0.14 -0.11 -0.16 0.00 -1.16 0.00 0.00 60.37 59.08 3cma h HIS 21 Cb 0.61 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 3cma h HIS 21 CO 0.00 0.68 -0.58 0.37 0.86 0.00 0.00 177.93 179.26 3cma h GLN 22 N 0.33 0.51 -0.17 2.45 4.15 -1.73 -3.16 115.11 117.49 3cma h GLN 22 Ca 0.08 -0.33 0.05 0.00 0.77 0.00 0.00 58.65 59.22 3cma h GLN 22 Cb 0.45 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.13 3cma h GLN 22 CO 0.02 0.94 -0.18 -0.09 -1.93 0.00 0.00 178.83 177.59 3cma h ARG 23 N 0.38 -0.21 0.29 1.69 2.43 -0.86 -0.70 114.38 117.40 3cma h ARG 23 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3cma h ARG 23 Cb 1.13 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 3cma h ARG 23 CO 0.11 -0.14 -0.35 1.25 -1.51 0.00 0.00 179.97 179.33 3cma h LEU 24 N -0.21 -0.96 -1.17 3.80 5.85 -1.41 0.89 115.31 122.09 3cma h LEU 24 Ca 0.11 0.09 0.24 0.00 0.84 0.00 0.00 57.88 59.16 3cma h LEU 24 Cb 0.38 0.34 -0.11 0.00 0.37 0.00 0.00 40.66 41.64 3cma h LEU 24 CO -0.29 -0.47 0.63 0.03 -0.34 0.00 0.00 178.44 177.99 3cma h ARG 25 N -0.68 0.52 0.40 1.25 3.08 -1.47 0.22 114.38 117.69 3cma h ARG 25 Ca -0.01 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3cma h ARG 25 Cb 0.64 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3cma h ARG 25 CO -0.10 0.34 -0.19 1.25 -1.07 0.00 0.00 179.97 180.20 3cma h LEU 26 N 0.54 -0.45 -2.56 3.04 5.85 -0.02 -3.04 115.31 118.67 3cma h LEU 26 Ca 0.60 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 59.24 3cma h LEU 26 Cb 1.27 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.42 3cma h LEU 26 CO -0.37 -0.16 0.04 -0.07 -0.34 0.00 0.00 178.44 177.54 3cma h LEU 27 N -0.74 0.00 -0.66 2.25 3.38 0.10 -2.34 115.31 117.30 3cma h LEU 27 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3cma h LEU 27 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3cma h LEU 27 CO 0.09 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.91 3cma n LYS 28 N -3.62 0.10 0.09 1.13 5.02 -0.26 -1.87 118.16 118.75 3cma n LYS 28 Ca -0.02 0.48 -0.04 0.00 -2.02 0.00 0.00 58.31 56.71 3cma n LYS 28 Cb 0.12 -1.75 0.17 0.00 -0.02 0.00 0.00 35.03 33.54 3cma n LYS 28 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3cma h SER 29 N 0.00 0.25 0.00 4.39 4.64 -1.57 -3.46 113.55 117.80 3cma h SER 29 Ca 0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3cma h SER 29 Cb 0.15 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3cma h SER 29 CO 0.00 0.73 0.00 0.61 -0.87 0.00 0.00 176.83 177.30 3cma n GLY 30 N 0.07 2.90 3.92 -0.77 0.00 -0.78 -5.03 105.19 105.51 3cma n GLY 30 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 3cma n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cma s LYS 31 N -0.55 2.47 0.48 1.61 1.02 -1.26 -5.07 119.74 118.44 3cma s LYS 31 Ca 0.00 -0.11 -0.19 0.00 0.02 0.00 0.00 55.97 55.69 3cma s LYS 31 Cb 0.00 -2.19 -0.09 0.00 -0.52 0.00 0.00 37.83 35.03 3cma s LYS 31 CO 0.00 -1.06 0.99 -2.14 -0.92 0.00 0.00 175.35 172.22 3cma s PRO 32 N -5.18 3.99 0.02 -1.68 0.02 -1.25 -4.81 135.00 126.10 3cma s PRO 32 Ca 0.58 1.14 -0.17 0.00 0.02 0.00 0.00 61.00 62.57 3cma s PRO 32 Cb -0.11 -2.14 -0.06 0.00 0.02 0.00 0.00 34.50 32.22 3cma s PRO 32 CO 0.45 -0.24 0.47 1.03 -0.33 0.00 0.00 177.00 178.38 3cma s ARG 33 N -3.49 4.04 -0.98 5.54 0.52 0.35 -1.30 118.95 123.63 3cma s ARG 33 Ca 0.62 0.53 -0.11 0.00 -0.52 0.00 0.00 55.73 56.25 3cma s ARG 33 Cb -0.11 -3.24 0.25 0.00 0.52 0.00 0.00 34.95 32.37 3cma s ARG 33 CO 0.21 0.65 0.95 -1.17 0.02 0.00 0.00 175.30 175.96 3cma s LEU 34 N -1.00 6.50 -0.51 2.53 2.96 -0.73 0.67 118.68 129.09 3cma s LEU 34 Ca 0.26 -3.20 -0.27 0.00 -0.22 0.00 0.00 54.13 50.69 3cma s LEU 34 Cb -0.18 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 3cma s LEU 34 CO 0.15 -0.41 1.95 -0.69 -1.32 0.00 0.00 176.35 176.03 3cma s VAL 35 N -0.64 3.32 -0.30 1.68 1.01 0.91 -2.76 120.40 123.62 3cma s VAL 35 Ca 0.25 0.23 -0.11 0.00 0.00 0.00 0.00 61.98 62.35 3cma s VAL 35 Cb -0.10 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3cma s VAL 35 CO -0.08 -0.61 0.20 0.00 0.00 0.00 0.00 175.10 174.60 3cma s ALA 36 N 9.08 3.50 0.04 5.51 0.00 -0.88 -1.77 121.76 137.25 3cma s ALA 36 Ca 0.76 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 51.56 3cma s ALA 36 Cb -0.16 -2.53 -0.02 0.00 0.00 0.00 0.00 23.12 20.41 3cma s ALA 36 CO 0.25 -0.70 -0.12 1.03 0.00 0.00 0.00 175.76 176.22 3cma s ARG 37 N 1.74 0.78 0.33 0.00 1.81 -0.67 -4.45 118.95 118.49 3cma s ARG 37 Ca 0.07 -0.76 0.03 0.00 -1.72 0.00 0.00 55.73 53.35 3cma s ARG 37 Cb -0.16 -0.74 0.03 0.00 -0.45 0.00 0.00 34.95 33.63 3cma s ARG 37 CO 0.10 0.17 0.28 1.63 -0.68 0.00 0.00 175.30 176.80 3cma n LYS 38 N 1.74 0.98 -3.51 3.54 5.02 -1.26 -1.43 118.16 123.23 3cma n LYS 38 Ca -0.19 -1.99 -0.09 0.00 -2.02 0.00 0.00 58.31 54.02 3cma n LYS 38 Cb 0.55 0.16 -0.02 0.00 -0.02 0.00 0.00 35.03 35.69 3cma n LYS 38 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3cma s SER 39 N -2.93 -0.37 0.26 4.39 0.15 -0.36 -4.91 113.70 109.93 3cma s SER 39 Ca 0.21 0.07 -0.01 0.00 0.70 0.00 0.00 55.95 56.91 3cma s SER 39 Cb -0.02 0.38 0.53 0.00 -1.71 0.00 0.00 66.02 65.20 3cma s SER 39 CO 0.13 -0.58 1.76 0.78 1.20 0.00 0.00 173.24 176.53 3cma h ASN 40 N 2.09 0.49 0.00 5.45 2.35 -2.01 -3.22 115.58 120.74 3cma h ASN 40 Ca -0.22 0.10 -0.32 0.00 -0.55 0.00 0.00 56.30 55.31 3cma h ASN 40 Cb 1.23 0.02 -0.06 0.00 0.05 0.00 0.00 38.32 39.56 3cma h ASN 40 CO 0.31 0.20 -2.22 0.29 -1.65 0.00 0.00 177.43 174.36 3cma n LYS 41 N -4.89 1.00 -4.66 0.81 5.02 -1.26 -4.69 118.16 109.49 3cma n LYS 41 Ca 0.17 0.03 -0.30 0.00 -2.02 0.00 0.00 58.31 56.18 3cma n LYS 41 Cb 0.44 -1.45 -0.09 0.00 -0.02 0.00 0.00 35.03 33.91 3cma n LYS 41 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3cma s HIS 42 N -2.43 2.24 0.05 2.13 3.76 -1.22 -1.05 115.29 118.77 3cma s HIS 42 Ca -0.14 -0.79 0.03 0.00 -0.15 0.00 0.00 55.06 54.01 3cma s HIS 42 Cb 0.06 -1.71 -0.02 0.00 1.11 0.00 0.00 32.58 32.01 3cma s HIS 42 CO 0.67 0.34 -0.10 0.08 -0.85 0.00 0.00 174.74 174.88 3cma s VAL 43 N -2.78 0.74 -0.12 -0.90 1.01 -1.26 -1.22 120.40 115.87 3cma s VAL 43 Ca 0.23 -1.11 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 3cma s VAL 43 Cb 0.06 -0.76 0.04 0.00 0.00 0.00 0.00 36.38 35.72 3cma s VAL 43 CO 0.12 -0.29 0.30 -0.60 0.00 0.00 0.00 175.10 174.63 3cma s ARG 44 N -1.54 0.30 -0.10 2.72 3.52 -0.52 -1.67 118.95 121.67 3cma s ARG 44 Ca -0.06 0.52 0.04 0.00 -0.13 0.00 0.00 55.73 56.10 3cma s ARG 44 Cb -0.10 0.02 0.00 0.00 -1.56 0.00 0.00 34.95 33.32 3cma s ARG 44 CO 0.01 -0.11 -0.22 0.00 -0.81 0.00 0.00 175.30 174.17 3cma s ALA 45 N 0.80 2.02 -0.05 6.12 0.00 -0.50 -1.66 121.76 128.49 3cma s ALA 45 Ca -0.05 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.03 3cma s ALA 45 Cb -0.06 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.31 3cma s ALA 45 CO -0.05 0.26 -0.03 -0.65 0.00 0.00 0.00 175.76 175.29 3cma s GLN 46 N 0.40 0.70 -0.40 0.00 -0.21 -0.73 -0.59 119.66 118.84 3cma s GLN 46 Ca -0.18 -0.02 -0.23 0.00 0.02 0.00 0.00 55.36 54.94 3cma s GLN 46 Cb -0.18 -0.83 0.02 0.00 1.00 0.00 0.00 33.01 33.02 3cma s GLN 46 CO 0.08 -0.15 0.80 -0.51 -2.12 0.00 0.00 175.29 173.39 3cma s LEU 47 N 1.24 4.14 0.03 2.90 2.01 0.15 -0.06 118.68 129.08 3cma s LEU 47 Ca -0.06 0.22 0.04 0.00 0.01 0.00 0.00 54.13 54.33 3cma s LEU 47 Cb -0.14 -3.03 -0.04 0.00 0.01 0.00 0.00 46.19 42.99 3cma s LEU 47 CO -0.02 -0.82 -0.05 -0.69 1.01 0.00 0.00 176.35 175.79 3cma s VAL 48 N 3.23 3.77 0.08 -1.59 1.01 0.21 -0.93 120.40 126.18 3cma s VAL 48 Ca 0.32 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.52 3cma s VAL 48 Cb -0.13 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 3cma s VAL 48 CO 0.19 0.32 -0.15 0.28 0.00 0.00 0.00 175.10 175.75 3cma s THR 49 N -1.08 1.19 0.39 3.92 -1.32 0.13 -0.50 115.64 118.37 3cma s THR 49 Ca 0.19 -1.41 -0.25 0.00 -1.21 0.00 0.00 61.69 59.01 3cma s THR 49 Cb -0.11 -1.20 -0.09 0.00 -1.51 0.00 0.00 72.50 69.59 3cma s THR 49 CO 0.10 -0.26 1.14 -0.22 -2.21 0.00 0.00 174.62 173.17 3cma s LEU 50 N -1.90 4.20 0.16 9.08 2.96 -1.26 0.10 118.68 132.02 3cma s LEU 50 Ca 0.01 2.27 -0.01 0.00 -0.22 0.00 0.00 54.13 56.18 3cma s LEU 50 Cb -0.09 -4.04 -0.04 0.00 0.50 0.00 0.00 46.19 42.52 3cma s LEU 50 CO 0.02 -0.61 0.08 -0.83 -1.32 0.00 0.00 176.35 173.70 3cma s GLY 51 N -1.23 1.19 0.56 7.98 0.00 -0.59 -4.72 107.32 110.52 3cma s GLY 51 Ca 0.57 -1.57 0.34 0.00 0.00 0.00 0.00 44.72 44.05 3cma s GLY 51 CO 0.36 -1.39 2.05 -2.55 0.00 0.00 0.00 173.10 171.58 3cma h PRO 52 N 2.76 0.00 0.00 2.90 0.11 -1.97 -3.15 132.00 132.64 3cma h PRO 52 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3cma h PRO 52 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3cma h PRO 52 CO 0.57 0.04 0.00 0.09 -0.21 0.00 0.00 178.00 178.49 3cma n ASN 53 N -3.19 1.23 0.00 -2.05 3.02 -1.26 -5.11 115.26 107.91 3cma n ASN 53 Ca -0.00 -1.59 0.00 0.00 -0.03 0.00 0.00 54.58 52.96 3cma n ASN 53 Cb 0.27 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 3cma n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cma n GLY 54 N -0.30 -0.02 3.80 7.41 0.00 -1.19 -5.12 105.19 109.77 3cma n GLY 54 Ca 0.00 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 3cma n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cma s ASP 55 N -0.17 5.24 -0.09 1.61 1.01 -1.26 -1.54 116.67 121.47 3cma s ASP 55 Ca 0.00 1.73 0.04 0.00 0.71 0.00 0.00 52.55 55.03 3cma s ASP 55 Cb 0.00 -2.51 -0.00 0.00 1.01 0.00 0.00 42.92 41.42 3cma s ASP 55 CO 0.00 -1.54 -0.24 -1.81 0.21 0.00 0.00 175.17 171.80 3cma s ASP 56 N -3.43 3.02 -0.36 0.27 1.01 0.29 -4.82 116.67 112.65 3cma s ASP 56 Ca 0.60 -0.54 -0.17 0.00 0.71 0.00 0.00 52.55 53.16 3cma s ASP 56 Cb -0.16 -1.25 -0.00 0.00 1.01 0.00 0.00 42.92 42.53 3cma s ASP 56 CO 0.51 0.17 0.43 -0.89 0.21 0.00 0.00 175.17 175.60 3cma s THR 57 N 0.24 5.10 0.01 -1.27 2.01 -1.26 0.17 115.64 120.64 3cma s THR 57 Ca -0.15 0.07 0.09 0.00 0.31 0.00 0.00 61.69 62.01 3cma s THR 57 Cb -0.17 -3.91 -0.23 0.00 0.01 0.00 0.00 72.50 68.20 3cma s THR 57 CO 0.07 -0.20 0.88 -0.07 -0.69 0.00 0.00 174.62 174.62 3cma h LEU 58 N 8.92 0.03 -7.05 4.42 4.07 -1.41 -3.48 115.31 120.81 3cma h LEU 58 Ca -0.29 -0.05 -0.07 0.00 0.08 0.00 0.00 57.88 57.56 3cma h LEU 58 Cb 1.13 -0.01 -0.19 0.00 1.08 0.00 0.00 40.66 42.67 3cma h LEU 58 CO 0.74 1.05 0.14 0.00 -1.08 0.00 0.00 178.44 179.28 3cma s ALA 59 N -2.64 -1.67 0.05 1.53 0.00 -1.24 -4.93 121.76 112.88 3cma s ALA 59 Ca -0.03 1.25 -0.26 0.00 0.00 0.00 0.00 51.96 52.92 3cma s ALA 59 Cb 0.09 -0.06 0.09 0.00 0.00 0.00 0.00 23.12 23.23 3cma s ALA 59 CO 0.82 -0.36 0.74 -1.54 0.00 0.00 0.00 175.76 175.43 3cma s SER 60 N -1.12 -0.49 0.03 0.00 1.04 -1.26 0.31 113.70 112.21 3cma s SER 60 Ca -0.11 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.44 3cma s SER 60 Cb -0.01 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 3cma s SER 60 CO 0.09 -0.76 -0.05 0.00 0.98 0.00 0.00 173.24 173.50 3cma s ALA 61 N -3.05 0.31 0.02 5.32 0.00 0.24 -4.70 121.76 119.90 3cma s ALA 61 Ca 0.01 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.39 3cma s ALA 61 Cb -0.01 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 3cma s ALA 61 CO -0.08 -0.09 -0.12 -1.58 0.00 0.00 0.00 175.76 173.90 3cma s HIS 62 N -1.31 1.03 0.65 0.00 2.46 -1.26 -1.41 115.29 115.45 3cma s HIS 62 Ca -0.12 -0.30 0.40 0.00 0.47 0.00 0.00 55.06 55.50 3cma s HIS 62 Cb -0.09 -0.63 2.22 0.00 -0.13 0.00 0.00 32.58 33.95 3cma s HIS 62 CO -0.00 0.00 2.30 0.66 -2.47 0.00 0.00 174.74 175.23 3cma h SER 63 N 5.23 0.00 0.33 9.88 4.64 -1.69 -2.43 113.55 129.50 3cma h SER 63 Ca -0.35 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.95 3cma h SER 63 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3cma h SER 63 CO 0.45 0.00 -0.16 0.77 -0.87 0.00 0.00 176.83 177.03 3cma h SER 64 N 0.00 -0.37 0.00 4.97 4.64 -1.96 -2.48 113.55 118.35 3cma h SER 64 Ca 0.00 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3cma h SER 64 Cb 0.08 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3cma h SER 64 CO -0.00 -0.03 0.00 -0.90 -0.87 0.00 0.00 176.83 175.03 3cma n ASP 65 N -5.16 0.66 0.04 4.97 5.75 -0.92 -2.77 116.55 119.12 3cma n ASP 65 Ca -0.10 -1.33 -0.15 0.00 -0.01 0.00 0.00 54.79 53.21 3cma n ASP 65 Cb 0.26 -0.33 -0.14 0.00 -1.03 0.00 0.00 41.12 39.89 3cma n ASP 65 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3cma h LEU 66 N 0.33 0.27 -1.36 -2.12 5.85 -1.43 -3.32 115.31 113.54 3cma h LEU 66 Ca 0.00 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.32 3cma h LEU 66 Cb 0.33 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3cma h LEU 66 CO 0.00 1.35 0.44 0.00 -0.34 0.00 0.00 178.44 179.89 3cma h ALA 67 N 0.61 1.57 0.00 1.25 0.00 -1.67 -2.25 119.26 118.76 3cma h ALA 67 Ca -0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3cma h ALA 67 Cb 1.99 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3cma h ALA 67 CO 0.13 0.38 0.20 -1.91 0.00 0.00 0.00 179.25 178.06 3cma n GLU 68 N -4.45 0.00 -0.01 0.00 2.13 -1.25 0.61 120.64 117.68 3cma n GLU 68 Ca 0.07 0.24 0.01 0.00 0.66 0.00 0.00 57.16 58.14 3cma n GLU 68 Cb 0.08 -1.70 0.02 0.00 0.27 0.00 0.00 31.44 30.10 3cma n GLU 68 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3cma n TYR 69 N -1.21 0.02 0.00 4.31 4.02 -0.85 -4.98 117.16 118.48 3cma n TYR 69 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 3cma n TYR 69 Cb 0.20 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 3cma n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3cma n GLY 70 N 0.10 1.67 3.60 2.72 0.00 0.20 -4.97 105.19 108.51 3cma n GLY 70 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3cma n GLY 70 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3cma s TRP 71 N -2.00 3.11 0.00 1.61 -0.11 -1.03 -4.90 118.94 115.62 3cma s TRP 71 Ca 0.00 -0.01 0.00 0.00 1.22 0.00 0.00 56.10 57.31 3cma s TRP 71 Cb 0.00 -1.88 0.00 0.00 -1.50 0.00 0.00 33.47 30.09 3cma s TRP 71 CO 0.00 0.24 0.00 -1.91 -4.62 0.00 0.00 176.95 170.66 3cma n GLU 72 N 2.83 3.52 -1.85 5.86 2.13 -1.26 -4.46 120.64 127.41 3cma n GLU 72 Ca -0.18 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.35 3cma n GLU 72 Cb 0.53 -0.43 0.17 0.00 0.27 0.00 0.00 31.44 31.98 3cma n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3cma s ALA 73 N -0.72 2.19 1.07 4.31 0.00 -1.26 -4.93 121.76 122.42 3cma s ALA 73 Ca 0.00 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.83 3cma s ALA 73 Cb 0.00 -2.83 0.15 0.00 0.00 0.00 0.00 23.12 20.43 3cma s ALA 73 CO 0.00 -2.35 0.33 -2.30 0.00 0.00 0.00 175.76 171.44 3cma n PRO 74 N -3.74 -2.54 0.00 0.00 -0.02 -1.26 -5.00 135.00 122.44 3cma n PRO 74 Ca 0.13 -0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.06 3cma n PRO 74 Cb 0.60 -0.78 0.00 0.00 -0.02 0.00 0.00 33.50 33.30 3cma n PRO 74 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3cma n THR 75 N -4.00 0.00 1.15 3.45 -2.24 -1.26 -4.78 114.28 106.60 3cma n THR 75 Ca 0.05 -0.09 0.03 0.00 -2.27 0.00 0.00 64.05 61.77 3cma n THR 75 Cb 0.23 0.57 0.18 0.00 -2.10 0.00 0.00 70.33 69.21 3cma n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cma n GLY 76 N 0.71 -0.57 0.00 3.38 0.00 -0.21 -4.38 105.19 104.11 3cma n GLY 76 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3cma n GLY 76 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cma n ASN 77 N -0.67 0.00 -0.12 1.61 0.23 -1.26 -4.97 115.26 110.09 3cma n ASN 77 Ca 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.10 3cma n ASN 77 Cb 0.02 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 3cma n ASN 77 CO 0.00 0.00 0.00 0.80 -0.93 0.00 0.00 177.26 177.13 3cma n MET 78 N -0.56 0.00 0.11 -3.83 1.56 -1.26 -0.78 117.12 112.37 3cma n MET 78 Ca 0.00 0.00 0.06 0.00 -0.27 0.00 0.00 57.70 57.49 3cma n MET 78 Cb 0.00 0.00 0.53 0.00 2.15 0.00 0.00 33.22 35.90 3cma n MET 78 CO 0.00 0.00 0.00 -1.35 -0.73 0.00 0.00 175.97 173.89 3cma h PRO 79 N 0.24 0.29 0.42 2.12 0.11 -1.77 -2.61 132.00 130.80 3cma h PRO 79 Ca 0.00 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 3cma h PRO 79 Cb 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.05 3cma h PRO 79 CO 0.00 0.19 -0.20 1.03 -0.21 0.00 0.00 178.00 178.81 3cma h SER 80 N 0.30 -0.48 -0.12 -2.05 0.87 -1.85 -2.52 113.55 107.70 3cma h SER 80 Ca 0.09 0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.71 3cma h SER 80 Cb -0.01 0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 62.02 3cma h SER 80 CO -0.02 -0.34 -0.32 0.00 -0.53 0.00 0.00 176.83 175.62 3cma h ALA 81 N 0.02 -0.37 -0.05 6.23 0.00 -0.56 -1.59 119.26 122.94 3cma h ALA 81 Ca -0.06 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3cma h ALA 81 Cb 0.43 0.60 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 3cma h ALA 81 CO 0.09 -0.79 -0.40 -0.92 0.00 0.00 0.00 179.25 177.23 3cma h TYR 82 N -0.40 -1.13 -0.85 0.00 3.20 -1.52 -1.99 116.97 114.29 3cma h TYR 82 Ca 0.09 0.04 0.16 0.00 3.14 0.00 0.00 58.73 62.16 3cma h TYR 82 Cb 0.54 0.50 -0.06 0.00 1.54 0.00 0.00 36.73 39.25 3cma h TYR 82 CO -0.40 -0.47 0.56 -0.07 -1.64 0.00 0.00 178.16 176.14 3cma h LEU 83 N -0.52 0.53 -0.41 2.82 3.38 -1.15 -0.48 115.31 119.47 3cma h LEU 83 Ca 0.06 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3cma h LEU 83 Cb 0.62 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3cma h LEU 83 CO -0.34 0.25 0.11 0.74 0.09 0.00 0.00 178.44 179.30 3cma h THR 84 N 0.55 1.22 -0.81 0.22 2.02 -0.58 0.62 112.91 116.15 3cma h THR 84 Ca 0.43 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 3cma h THR 84 Cb 0.86 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 3cma h THR 84 CO -0.18 0.27 0.42 1.23 0.37 0.00 0.00 175.52 177.63 3cma h GLY 85 N 0.53 1.23 0.84 2.16 0.00 -0.58 0.52 103.07 107.78 3cma h GLY 85 Ca 0.13 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 3cma h GLY 85 CO -0.00 0.56 0.03 -2.00 0.00 0.00 0.00 176.54 175.13 3cma h LEU 86 N 1.15 0.33 0.20 3.11 5.85 -0.90 0.46 115.31 125.51 3cma h LEU 86 Ca 0.28 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3cma h LEU 86 Cb 0.07 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3cma h LEU 86 CO -0.04 0.51 -0.21 0.25 -0.34 0.00 0.00 178.44 178.60 3cma h LEU 87 N 0.14 -0.57 -0.61 2.25 5.85 -0.43 0.23 115.31 122.17 3cma h LEU 87 Ca 0.06 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3cma h LEU 87 Cb 0.31 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 3cma h LEU 87 CO 0.00 -0.31 0.38 0.00 -0.34 0.00 0.00 178.44 178.17 3cma h ALA 88 N 0.29 0.79 -0.31 1.25 0.00 -0.80 -0.52 119.26 119.96 3cma h ALA 88 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3cma h ALA 88 Cb 0.43 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3cma h ALA 88 CO -0.06 0.12 0.17 0.78 0.00 0.00 0.00 179.25 180.26 3cma h GLY 89 N 0.74 0.42 0.83 0.00 0.00 0.39 0.12 103.07 105.58 3cma h GLY 89 Ca 0.24 -0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.48 3cma h GLY 89 CO -0.10 0.11 0.36 1.41 0.00 0.00 0.00 176.54 178.32 3cma h LEU 90 N 0.35 0.57 -1.21 3.11 3.38 -0.02 -1.23 115.31 120.26 3cma h LEU 90 Ca 0.12 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3cma h LEU 90 Cb 0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3cma h LEU 90 CO -0.07 0.39 0.09 0.03 0.09 0.00 0.00 178.44 178.98 3cma h ARG 91 N 0.69 0.64 -0.28 1.13 3.08 -0.60 -2.60 114.38 116.45 3cma h ARG 91 Ca 0.25 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 3cma h ARG 91 Cb 0.06 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3cma h ARG 91 CO -0.12 0.59 0.11 0.00 -1.07 0.00 0.00 179.97 179.48 3cma h ALA 92 N 1.48 0.36 -0.83 0.04 0.00 0.25 -2.64 119.26 117.92 3cma h ALA 92 Ca 0.14 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.06 3cma h ALA 92 Cb 0.25 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 3cma h ALA 92 CO -0.00 -0.03 0.43 1.96 0.00 0.00 0.00 179.25 181.60 3cma h GLN 93 N 0.30 0.61 -0.75 0.00 1.08 -0.89 -0.50 115.11 114.97 3cma h GLN 93 Ca 0.09 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.32 3cma h GLN 93 Cb 0.19 -0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 27.44 3cma h GLN 93 CO -0.01 0.41 0.49 0.93 -0.95 0.00 0.00 178.83 179.70 3cma h GLU 94 N 0.63 0.77 -0.17 1.46 4.39 -1.21 -1.70 114.58 118.74 3cma h GLU 94 Ca 0.45 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.10 3cma h GLU 94 Cb 0.60 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 3cma h GLU 94 CO -0.35 0.51 0.00 0.00 -1.16 0.00 0.00 179.01 178.01 3cma n ALA 95 N -2.44 2.48 0.00 3.43 0.00 -0.22 -4.89 120.51 118.87 3cma n ALA 95 Ca 0.11 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3cma n ALA 95 Cb 0.22 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3cma n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cma n GLY 96 N 0.81 3.19 3.68 0.00 0.00 -0.64 -5.03 105.19 107.21 3cma n GLY 96 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 3cma n GLY 96 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3cma n VAL 97 N -2.00 0.98 0.00 1.61 0.31 -1.04 -4.91 118.33 113.28 3cma n VAL 97 Ca 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3cma n VAL 97 Cb 0.00 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 3cma n VAL 97 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3cma n GLU 98 N 2.01 2.67 -4.11 5.55 1.02 -1.26 -4.00 120.64 122.53 3cma n GLU 98 Ca 0.11 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.13 3cma n GLU 98 Cb 0.32 -0.85 -0.11 0.00 -0.02 0.00 0.00 31.44 30.78 3cma n GLU 98 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3cma s GLU 99 N -1.71 0.65 0.26 3.49 -1.05 -1.26 -0.62 118.70 118.47 3cma s GLU 99 Ca 0.00 -0.97 -0.13 0.00 -0.15 0.00 0.00 54.97 53.72 3cma s GLU 99 Cb 0.00 -0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.39 3cma s GLU 99 CO 0.00 0.04 0.51 0.00 0.95 0.00 0.00 175.26 176.75 3cma s ALA 100 N -2.14 -0.26 -0.08 -0.84 0.00 0.38 -3.96 121.76 114.86 3cma s ALA 100 Ca -0.02 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.08 3cma s ALA 100 Cb -0.05 1.05 0.02 0.00 0.00 0.00 0.00 23.12 24.13 3cma s ALA 100 CO -0.01 -0.87 -0.11 0.08 0.00 0.00 0.00 175.76 174.85 3cma s VAL 101 N -3.88 1.14 -0.21 0.00 1.01 -0.42 -3.78 120.40 114.27 3cma s VAL 101 Ca 0.22 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 3cma s VAL 101 Cb -0.01 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3cma s VAL 101 CO 0.10 0.37 1.92 -0.22 0.00 0.00 0.00 175.10 177.26 3cma s LEU 102 N 0.98 3.72 -0.42 3.92 2.96 -1.26 -1.77 118.68 126.81 3cma s LEU 102 Ca -0.08 1.78 -0.11 0.00 -0.22 0.00 0.00 54.13 55.49 3cma s LEU 102 Cb -0.15 -3.52 0.06 0.00 0.50 0.00 0.00 46.19 43.08 3cma s LEU 102 CO -0.00 -1.58 0.28 -0.62 -1.32 0.00 0.00 176.35 173.11 3cma s ASP 103 N 6.11 5.80 -0.36 3.68 -1.08 -1.11 -4.92 116.67 124.79 3cma s ASP 103 Ca 0.86 -1.30 0.08 0.00 -0.52 0.00 0.00 52.55 51.67 3cma s ASP 103 Cb -0.30 -2.05 0.73 0.00 -1.46 0.00 0.00 42.92 39.85 3cma s ASP 103 CO 0.34 -0.52 1.84 2.30 0.52 0.00 0.00 175.17 179.65 3cma n ILE 104 N 5.02 3.00 -0.02 4.11 -5.35 -1.26 -2.07 119.36 122.79 3cma n ILE 104 Ca -0.11 -1.68 0.00 0.00 -0.27 0.00 0.00 62.75 60.69 3cma n ILE 104 Cb 0.44 -0.39 0.00 0.00 -1.74 0.00 0.00 39.64 37.95 3cma n ILE 104 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3cma n GLY 105 N -0.37 2.10 1.66 3.28 0.00 -1.26 -1.43 105.19 109.17 3cma n GLY 105 Ca 0.46 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 46.26 3cma n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cma n LEU 106 N 0.00 5.00 -4.97 0.99 4.77 -1.26 -4.92 117.00 116.62 3cma n LEU 106 Ca 0.00 -2.63 -0.22 0.00 -0.03 0.00 0.00 56.01 53.14 3cma n LEU 106 Cb 0.00 -0.68 0.02 0.00 -2.33 0.00 0.00 43.42 40.42 3cma n LEU 106 CO 0.00 0.79 0.28 0.20 -1.33 0.00 0.00 177.39 177.33 3cma s ASN 107 N -0.29 5.66 -0.10 -1.43 -0.87 -0.51 -5.10 114.94 112.30 3cma s ASN 107 Ca 0.32 0.11 -0.07 0.00 -1.57 0.00 0.00 52.86 51.64 3cma s ASN 107 Cb 0.26 -1.25 -0.04 0.00 -0.02 0.00 0.00 41.25 40.21 3cma s ASN 107 CO 0.06 -0.82 0.17 -0.44 -2.57 0.00 0.00 177.10 173.50 3cma s SER 108 N -4.29 6.42 0.00 -1.22 0.01 -1.26 -4.98 113.70 108.39 3cma s SER 108 Ca 0.51 0.50 0.00 0.00 1.31 0.00 0.00 55.95 58.27 3cma s SER 108 Cb -0.10 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.05 3cma s SER 108 CO 0.37 0.39 0.77 -2.65 0.41 0.00 0.00 173.24 172.53 3cma n PRO 109 N 1.85 0.50 -1.74 12.44 -0.02 -1.26 -4.90 135.00 141.87 3cma n PRO 109 Ca -0.19 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.88 3cma n PRO 109 Cb 0.55 -1.25 -0.03 0.00 -0.02 0.00 0.00 33.50 32.75 3cma n PRO 109 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3cma s THR 110 N 0.77 2.03 0.25 3.45 2.01 -1.26 -4.90 115.64 117.98 3cma s THR 110 Ca 0.00 0.02 -0.31 0.00 0.31 0.00 0.00 61.69 61.71 3cma s THR 110 Cb 0.00 -3.01 -0.12 0.00 0.01 0.00 0.00 72.50 69.38 3cma s THR 110 CO 0.00 0.00 1.64 -2.65 -0.69 0.00 0.00 174.62 172.92 3cma n PRO 111 N 3.41 2.65 -0.85 4.92 -0.02 -1.26 -1.98 135.00 141.87 3cma n PRO 111 Ca 0.13 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 3cma n PRO 111 Cb 0.36 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 3cma n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cma n GLY 112 N 2.99 1.12 3.67 -1.23 0.00 -0.31 -4.83 105.19 106.60 3cma n GLY 112 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3cma n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cma s SER 113 N -3.08 2.89 0.33 1.61 0.01 -0.84 -4.39 113.70 110.24 3cma s SER 113 Ca 0.00 2.05 0.01 0.00 1.31 0.00 0.00 55.95 59.33 3cma s SER 113 Cb 0.00 -2.52 0.57 0.00 0.21 0.00 0.00 66.02 64.28 3cma s SER 113 CO 0.00 -3.10 1.96 0.11 0.41 0.00 0.00 173.24 172.62 3cma h LYS 114 N -1.86 0.83 0.00 12.44 1.57 -1.94 0.10 116.57 127.71 3cma h LYS 114 Ca -0.45 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.24 3cma h LYS 114 Cb 1.27 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 3cma h LYS 114 CO 0.44 0.61 -0.01 -0.39 -0.57 0.00 0.00 179.45 179.53 3cma h VAL 115 N 0.84 0.03 0.01 0.50 -1.51 -1.94 0.64 116.25 114.82 3cma h VAL 115 Ca 0.22 -0.35 -0.29 0.00 -1.23 0.00 0.00 66.70 65.05 3cma h VAL 115 Cb 0.01 1.33 -0.05 0.00 -2.13 0.00 0.00 31.29 30.46 3cma h VAL 115 CO -0.04 0.01 -1.64 -0.26 -1.23 0.00 0.00 177.57 174.41 3cma h PHE 116 N 0.00 0.03 -0.34 5.19 0.05 -1.52 -2.87 116.94 117.49 3cma h PHE 116 Ca -0.00 -0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.75 3cma h PHE 116 Cb 0.33 -0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.27 3cma h PHE 116 CO 0.00 1.05 0.14 0.00 -0.18 0.00 0.00 178.31 179.31 3cma h ALA 117 N 0.94 0.44 -0.29 2.45 0.00 0.13 -0.59 119.26 122.33 3cma h ALA 117 Ca -0.26 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.58 3cma h ALA 117 Cb 1.99 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.60 3cma h ALA 117 CO 0.09 0.03 -0.05 0.82 0.00 0.00 0.00 179.25 180.14 3cma h ILE 118 N 0.40 0.73 -0.26 0.00 2.04 0.10 -1.78 117.51 118.73 3cma h ILE 118 Ca 0.11 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 66.03 3cma h ILE 118 Cb 0.18 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 36.89 3cma h ILE 118 CO -0.01 0.00 -0.20 -0.61 0.00 0.00 0.00 178.15 177.34 3cma h GLN 119 N 0.02 -0.18 -0.99 2.37 4.15 -1.14 -0.72 115.11 118.61 3cma h GLN 119 Ca 0.14 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.68 3cma h GLN 119 Cb 0.21 0.04 -0.08 0.00 0.21 0.00 0.00 27.48 27.86 3cma h GLN 119 CO -0.28 -0.12 0.63 1.49 -1.93 0.00 0.00 178.83 178.62 3cma h GLU 120 N -0.19 0.98 0.08 1.69 4.81 -0.50 -0.29 114.58 121.16 3cma h GLU 120 Ca 0.14 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3cma h GLU 120 Cb 0.41 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3cma h GLU 120 CO -0.37 0.65 -0.04 0.78 -0.73 0.00 0.00 179.01 179.30 3cma h GLY 121 N 1.01 -0.11 1.36 1.92 0.00 -0.35 0.13 103.07 107.03 3cma h GLY 121 Ca 0.48 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.85 3cma h GLY 121 CO -0.24 -0.04 0.37 0.00 0.00 0.00 0.00 176.54 176.63 3cma h ALA 122 N 0.71 1.48 -0.28 3.60 0.00 -0.66 -0.26 119.26 123.85 3cma h ALA 122 Ca -0.01 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3cma h ALA 122 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3cma h ALA 122 CO 0.02 0.45 -0.14 0.82 0.00 0.00 0.00 179.25 180.40 3cma h ILE 123 N 0.86 1.30 -0.42 0.00 2.04 -0.79 -2.69 117.51 117.80 3cma h ILE 123 Ca 0.23 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 64.87 3cma h ILE 123 Cb -0.03 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3cma h ILE 123 CO -0.04 0.39 0.28 0.44 0.00 0.00 0.00 178.15 179.22 3cma h ASP 124 N 0.34 0.45 0.00 1.72 5.19 0.09 0.23 116.42 124.44 3cma h ASP 124 Ca 0.06 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3cma h ASP 124 Cb 0.65 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.05 3cma h ASP 124 CO 0.04 0.33 0.00 0.00 -3.12 0.00 0.00 179.24 176.49 3cma n ALA 125 N -2.48 1.93 -0.16 3.45 0.00 -0.19 -4.76 120.51 118.30 3cma n ALA 125 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3cma n ALA 125 Cb 0.08 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3cma n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cma n GLY 126 N -0.19 0.62 3.72 0.00 0.00 0.06 -4.54 105.19 104.86 3cma n GLY 126 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3cma n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cma s LEU 127 N 0.00 4.46 -0.45 0.99 2.96 -1.04 -4.98 118.68 120.61 3cma s LEU 127 Ca 0.00 1.71 -0.26 0.00 -0.22 0.00 0.00 54.13 55.37 3cma s LEU 127 Cb 0.00 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.18 3cma s LEU 127 CO 0.00 -0.11 0.93 -1.81 -1.32 0.00 0.00 176.35 174.04 3cma s ASP 128 N 0.28 6.52 -0.06 3.68 1.01 0.20 -4.20 116.67 124.11 3cma s ASP 128 Ca 0.47 0.18 0.00 0.00 0.71 0.00 0.00 52.55 53.91 3cma s ASP 128 Cb -0.22 -2.46 0.02 0.00 1.01 0.00 0.00 42.92 41.28 3cma s ASP 128 CO 0.28 -1.04 -0.03 -0.63 0.21 0.00 0.00 175.17 173.96 3cma s ILE 129 N 3.76 0.52 -0.07 0.77 1.01 -1.26 -0.47 121.20 125.46 3cma s ILE 129 Ca 0.38 -0.05 -0.32 0.00 0.00 0.00 0.00 60.65 60.66 3cma s ILE 129 Cb -0.10 -0.59 -0.10 0.00 0.01 0.00 0.00 42.46 41.68 3cma s ILE 129 CO 0.26 0.25 1.99 -2.65 0.00 0.00 0.00 174.94 174.78 3cma n PRO 130 N 4.52 2.36 -3.87 2.79 -0.02 -1.25 -4.92 135.00 134.62 3cma n PRO 130 Ca -0.17 0.83 -0.16 0.00 -2.02 0.00 0.00 63.50 61.98 3cma n PRO 130 Cb 0.50 -2.86 -0.06 0.00 -0.02 0.00 0.00 33.50 31.07 3cma n PRO 130 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3cma n HIS 131 N 7.88 -0.84 -3.56 6.00 1.44 -1.26 -4.71 115.22 120.18 3cma n HIS 131 Ca 0.24 -2.34 -0.24 0.00 -2.01 0.00 0.00 57.72 53.37 3cma n HIS 131 Cb 0.36 0.31 -0.15 0.00 0.12 0.00 0.00 29.99 30.62 3cma n HIS 131 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 3cma s ASN 132 N -2.98 2.14 0.23 4.39 3.84 -1.26 -5.06 114.94 116.23 3cma s ASN 132 Ca 0.32 -0.56 -0.06 0.00 0.21 0.00 0.00 52.86 52.77 3cma s ASN 132 Cb 0.01 -0.05 0.38 0.00 -0.55 0.00 0.00 41.25 41.04 3cma s ASN 132 CO 0.23 -0.35 1.74 0.44 -2.79 0.00 0.00 177.10 176.37 3cma h ASP 133 N 8.38 0.27 0.00 -4.21 3.32 -2.01 -2.24 116.42 119.93 3cma h ASP 133 Ca -0.16 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3cma h ASP 133 Cb 1.14 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3cma h ASP 133 CO 0.30 0.13 0.00 -0.90 -1.72 0.00 0.00 179.24 177.05 3cma n ASP 134 N -4.99 0.13 -0.35 6.45 5.68 -1.26 -1.23 116.55 120.97 3cma n ASP 134 Ca 0.12 -1.29 0.04 0.00 -0.50 0.00 0.00 54.79 53.17 3cma n ASP 134 Cb 0.35 -0.06 0.04 0.00 -1.14 0.00 0.00 41.12 40.30 3cma n ASP 134 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 3cma n VAL 135 N -0.36 0.08 -3.77 2.12 3.14 -0.84 -4.96 118.33 113.74 3cma n VAL 135 Ca 0.00 -0.54 -0.35 0.00 -2.96 0.00 0.00 64.34 60.49 3cma n VAL 135 Cb 0.03 1.12 -0.09 0.00 -1.06 0.00 0.00 33.84 33.85 3cma n VAL 135 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3cma s LEU 136 N -0.73 4.10 0.79 6.55 1.43 -0.36 -1.17 118.68 129.28 3cma s LEU 136 Ca 0.11 0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 53.21 3cma s LEU 136 Cb 0.07 -2.07 -0.07 0.00 0.03 0.00 0.00 46.19 44.16 3cma s LEU 136 CO 0.11 0.15 0.10 0.00 0.23 0.00 0.00 176.35 176.94 3cma n ALA 137 N 3.73 -2.85 -1.77 4.21 0.00 -1.26 -4.73 120.51 117.84 3cma n ALA 137 Ca -0.16 -0.37 -0.37 0.00 0.00 0.00 0.00 53.44 52.54 3cma n ALA 137 Cb 0.52 -1.61 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 3cma n ALA 137 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3cma s ASP 138 N -1.39 6.42 0.15 0.00 -4.77 -1.26 -4.82 116.67 111.00 3cma s ASP 138 Ca 0.57 2.25 -0.11 0.00 -3.30 0.00 0.00 52.55 51.95 3cma s ASP 138 Cb -0.31 -2.60 0.15 0.00 -1.09 0.00 0.00 42.92 39.07 3cma s ASP 138 CO 0.67 -0.74 0.99 1.87 0.70 0.00 0.00 175.17 178.66 3cma n TRP 139 N -0.21 0.01 -0.21 2.11 -0.00 -1.26 -0.91 117.44 116.96 3cma n TRP 139 Ca 0.06 0.79 0.02 0.00 -0.00 0.00 0.00 57.50 58.36 3cma n TRP 139 Cb 0.48 -0.73 0.13 0.00 -0.00 0.00 0.00 31.31 31.18 3cma n TRP 139 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 3cma h GLN 140 N 0.00 0.32 -0.83 5.87 1.08 -2.00 -1.38 115.11 118.17 3cma h GLN 140 Ca 0.22 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.38 3cma h GLN 140 Cb 0.38 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.70 3cma h GLN 140 CO -0.63 0.21 0.44 -0.09 -0.95 0.00 0.00 178.83 177.81 3cma h ARG 141 N 0.33 1.17 -0.47 1.46 2.43 -1.39 -0.64 114.38 117.27 3cma h ARG 141 Ca 0.34 -0.15 0.10 0.00 -0.81 0.00 0.00 59.98 59.46 3cma h ARG 141 Cb 0.49 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3cma h ARG 141 CO -0.38 0.87 0.33 1.15 -1.51 0.00 0.00 179.97 180.43 3cma h THR 142 N 1.16 0.85 0.00 0.20 2.02 -1.15 0.16 112.91 116.15 3cma h THR 142 Ca 0.29 -0.06 -0.10 0.00 0.77 0.00 0.00 66.41 67.31 3cma h THR 142 Cb 0.06 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3cma h THR 142 CO -0.04 0.03 -0.49 0.03 0.37 0.00 0.00 175.52 175.42 3cma h ARG 143 N 0.18 0.00 0.00 6.66 3.08 -0.61 -3.10 114.38 120.59 3cma h ARG 143 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3cma h ARG 143 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3cma h ARG 143 CO -0.03 0.49 0.00 0.41 -1.07 0.00 0.00 179.97 179.76 3cma n GLY 144 N 0.52 1.13 0.29 0.04 0.00 0.55 -4.57 105.19 103.14 3cma n GLY 144 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3cma n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cma h ALA 145 N 0.00 1.13 -0.70 4.61 0.00 -1.58 0.07 119.26 122.79 3cma h ALA 145 Ca 0.00 0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.16 3cma h ALA 145 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3cma h ALA 145 CO 0.00 -0.16 0.48 1.12 0.00 0.00 0.00 179.25 180.69 3cma h HIS 146 N 0.51 0.36 0.14 0.00 2.07 -1.82 -2.03 115.15 114.38 3cma h HIS 146 Ca 0.43 0.01 -0.28 0.00 -2.85 0.00 0.00 60.37 57.67 3cma h HIS 146 Cb 0.62 -0.11 0.03 0.00 2.57 0.00 0.00 27.41 30.52 3cma h HIS 146 CO -0.14 0.14 -1.19 0.97 -3.07 0.00 0.00 177.93 174.64 3cma h ILE 147 N 0.31 1.32 0.31 6.12 2.10 -1.36 -2.96 117.51 123.35 3cma h ILE 147 Ca 0.34 -2.49 0.00 0.00 1.08 0.00 0.00 64.86 63.80 3cma h ILE 147 Cb 0.90 2.83 -0.04 0.00 -1.09 0.00 0.00 36.82 39.43 3cma h ILE 147 CO -0.09 0.75 -0.51 0.00 -1.08 0.00 0.00 178.15 177.22 3cma h ALA 148 N 0.23 -1.04 -0.50 0.18 0.00 -1.00 -0.89 119.26 116.24 3cma h ALA 148 Ca -0.19 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 54.70 3cma h ALA 148 Cb 1.89 0.80 -0.02 0.00 0.00 0.00 0.00 17.79 20.45 3cma h ALA 148 CO 0.23 -1.14 0.36 0.93 0.00 0.00 0.00 179.25 179.62 3cma h GLU 149 N -0.87 0.09 -0.17 0.00 5.08 -1.59 0.54 114.58 117.66 3cma h GLU 149 Ca -0.03 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 3cma h GLU 149 Cb 0.81 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3cma h GLU 149 CO -0.17 0.06 -0.22 -0.92 -1.00 0.00 0.00 179.01 176.76 3cma h TYR 150 N 0.09 0.33 0.00 4.33 3.20 -1.03 -0.35 116.97 123.54 3cma h TYR 150 Ca 0.24 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3cma h TYR 150 Cb 0.83 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.01 3cma h TYR 150 CO -0.00 0.51 0.00 0.22 -1.64 0.00 0.00 178.16 177.25 3cma h ASP 151 N 0.28 0.00 -0.73 -2.11 1.82 0.12 -3.01 116.42 112.79 3cma h ASP 151 Ca 0.05 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.68 3cma h ASP 151 Cb 0.55 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.52 3cma h ASP 151 CO 0.04 0.00 0.43 -0.08 -1.61 0.00 0.00 179.24 178.01 3cma h GLU 152 N 0.00 1.01 -2.16 0.28 4.57 0.52 -0.12 114.58 118.68 3cma h GLU 152 Ca 0.00 -0.10 -0.07 0.00 -1.18 0.00 0.00 59.36 58.01 3cma h GLU 152 Cb 0.83 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 29.19 3cma h GLU 152 CO 0.00 0.73 -0.06 1.04 -1.18 0.00 0.00 179.01 179.54 3cma n GLN 153 N -4.50 1.07 0.00 1.92 6.02 -1.14 -4.74 117.38 116.02 3cma n GLN 153 Ca 0.07 -0.37 0.00 0.00 -0.01 0.00 0.00 57.00 56.69 3cma n GLN 153 Cb 0.07 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 29.81 3cma n GLN 153 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3cma n LEU 154 N 2.18 0.00 0.00 1.08 7.94 -0.06 -4.75 117.00 123.39 3cma n LEU 154 Ca 0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.06 3cma n LEU 154 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 3cma n LEU 154 CO 0.08 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.57 3cma n GLU 155 N 0.00 0.00 -3.55 1.96 2.13 -1.26 -4.81 120.64 115.11 3cma n GLU 155 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 3cma n GLU 155 Cb 0.00 -0.47 -0.04 0.00 0.27 0.00 0.00 31.44 31.20 3cma n GLU 155 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3cma s GLU 156 N -0.09 0.46 0.21 5.31 2.02 -1.26 -5.15 118.70 120.20 3cma s GLU 156 Ca 0.00 1.08 -0.28 0.00 0.02 0.00 0.00 54.97 55.79 3cma s GLU 156 Cb 0.00 0.57 -0.17 0.00 0.10 0.00 0.00 34.13 34.63 3cma s GLU 156 CO 0.00 -0.15 0.57 -2.30 0.02 0.00 0.00 175.26 173.40 3cma n PRO 157 N 5.00 0.12 -0.03 0.39 -0.02 -1.26 -4.88 135.00 134.32 3cma n PRO 157 Ca -0.12 0.04 -0.11 0.00 -2.02 0.00 0.00 63.50 61.29 3cma n PRO 157 Cb 0.52 -1.08 0.03 0.00 -0.02 0.00 0.00 33.50 32.95 3cma n PRO 157 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3cma h LEU 158 N 1.11 0.75 -9.42 2.45 5.85 -1.89 -3.43 115.31 110.73 3cma h LEU 158 Ca -0.29 -0.38 -0.65 0.00 0.84 0.00 0.00 57.88 57.40 3cma h LEU 158 Cb 1.43 -0.22 -0.11 0.00 0.37 0.00 0.00 40.66 42.14 3cma h LEU 158 CO 0.57 1.12 -0.51 -0.31 -0.34 0.00 0.00 178.44 178.97 3cma s TYR 159 N -4.12 3.44 0.03 1.25 2.02 -1.26 -5.03 117.35 113.69 3cma s TYR 159 Ca -0.09 0.37 -0.22 0.00 -0.37 0.00 0.00 57.07 56.76 3cma s TYR 159 Cb 0.11 -1.99 -0.12 0.00 -0.40 0.00 0.00 41.96 39.55 3cma s TYR 159 CO 0.86 0.51 1.31 1.03 -1.57 0.00 0.00 175.55 177.68 3cma h SER 160 N 5.67 -0.68 -3.84 2.29 0.87 -1.98 -3.43 113.55 112.46 3cma h SER 160 Ca -0.48 0.02 -0.45 0.00 -1.23 0.00 0.00 61.79 59.65 3cma h SER 160 Cb 1.20 0.18 0.16 0.00 -0.44 0.00 0.00 62.40 63.49 3cma h SER 160 CO 0.64 -0.48 0.18 -0.83 -0.53 0.00 0.00 176.83 175.82 3cma s GLY 161 N -1.63 1.56 -1.00 5.77 0.00 -1.26 -4.95 107.32 105.81 3cma s GLY 161 Ca -0.12 -0.40 -0.07 0.00 0.00 0.00 0.00 44.72 44.14 3cma s GLY 161 CO 0.35 0.23 0.94 -0.35 0.00 0.00 0.00 173.10 174.28 3cma s ASP 162 N -3.45 6.73 0.19 1.64 -1.08 -1.26 -4.65 116.67 114.78 3cma s ASP 162 Ca 0.66 -3.55 -0.02 0.00 -0.52 0.00 0.00 52.55 49.11 3cma s ASP 162 Cb -0.19 -2.09 0.10 0.00 -1.46 0.00 0.00 42.92 39.29 3cma s ASP 162 CO 0.58 -0.27 1.48 0.15 0.52 0.00 0.00 175.17 177.63 3cma h PHE 163 N 6.52 0.64 0.00 -5.34 3.57 -1.91 -3.47 116.94 116.94 3cma h PHE 163 Ca 0.16 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.42 3cma h PHE 163 Cb 0.87 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.49 3cma h PHE 163 CO 0.76 0.98 0.00 -0.40 -2.23 0.00 0.00 178.31 177.42 3cma n ASP 164 N -3.92 0.00 0.00 0.41 5.68 -1.26 -5.02 116.55 112.44 3cma n ASP 164 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.25 3cma n ASP 164 Cb 0.64 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.62 3cma n ASP 164 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3cma n ALA 165 N -0.58 0.00 0.53 2.12 0.00 -1.26 -3.97 120.51 117.34 3cma n ALA 165 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3cma n ALA 165 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 3cma n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cma n ALA 166 N -3.00 1.78 -1.02 0.00 0.00 -1.26 -4.61 120.51 112.40 3cma n ALA 166 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.54 3cma n ALA 166 Cb 0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.38 3cma n ALA 166 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3cma n ASP 167 N -0.63 -5.28 -3.56 0.00 8.00 -1.26 -4.68 116.55 109.16 3cma n ASP 167 Ca 0.02 0.55 -0.22 0.00 0.71 0.00 0.00 54.79 55.84 3cma n ASP 167 Cb 0.01 -3.28 -0.15 0.00 -0.02 0.00 0.00 41.12 37.67 3cma n ASP 167 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3cma s LEU 168 N -5.32 0.13 0.51 0.64 1.43 -1.26 -4.95 118.68 109.86 3cma s LEU 168 Ca 0.00 -0.43 0.30 0.00 -1.03 0.00 0.00 54.13 52.96 3cma s LEU 168 Cb 0.00 0.05 1.01 0.00 0.03 0.00 0.00 46.19 47.28 3cma s LEU 168 CO 0.00 -0.34 1.85 -0.65 0.23 0.00 0.00 176.35 177.44 3cma h PRO 169 N 8.37 0.00 -0.25 1.29 0.11 -1.89 -2.33 132.00 137.29 3cma h PRO 169 Ca -0.16 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 3cma h PRO 169 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3cma h PRO 169 CO 0.29 0.02 0.11 0.93 -0.21 0.00 0.00 178.00 179.13 3cma h GLU 170 N 0.00 0.35 -0.91 1.05 3.07 -1.92 0.03 114.58 116.24 3cma h GLU 170 Ca -0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3cma h GLU 170 Cb 0.69 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.48 3cma h GLU 170 CO 0.00 0.29 0.58 1.25 -1.40 0.00 0.00 179.01 179.72 3cma h HIS 171 N 0.35 1.18 -0.57 4.33 2.76 -1.80 0.39 115.15 121.78 3cma h HIS 171 Ca 0.09 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.34 3cma h HIS 171 Cb 0.06 -0.39 -0.06 0.00 1.55 0.00 0.00 27.41 28.57 3cma h HIS 171 CO 0.00 0.77 0.26 0.35 -1.30 0.00 0.00 177.93 178.01 3cma h PHE 172 N 1.25 0.47 -0.63 5.26 3.57 -1.12 0.99 116.94 126.74 3cma h PHE 172 Ca 0.33 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.78 3cma h PHE 172 Cb -0.10 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 3cma h PHE 172 CO -0.00 0.19 0.08 -0.44 -2.23 0.00 0.00 178.31 175.91 3cma h ASP 173 N 0.49 1.00 -0.70 0.41 3.32 -0.58 0.66 116.42 121.00 3cma h ASP 173 Ca 0.27 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3cma h ASP 173 Cb 0.24 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3cma h ASP 173 CO -0.22 1.00 0.37 -0.33 -1.72 0.00 0.00 179.24 178.34 3cma h GLU 174 N 0.97 1.01 0.14 3.56 5.08 0.11 -0.34 114.58 125.11 3cma h GLU 174 Ca 0.19 -0.13 -0.25 0.00 -1.00 0.00 0.00 59.36 58.17 3cma h GLU 174 Cb 0.45 -0.20 0.03 0.00 0.50 0.00 0.00 28.75 29.53 3cma h GLU 174 CO 0.02 0.76 -1.07 1.25 -1.00 0.00 0.00 179.01 178.97 3cma h LEU 175 N 1.01 0.69 -0.82 1.33 5.85 -0.52 -2.72 115.31 120.13 3cma h LEU 175 Ca 0.25 -0.88 0.03 0.00 0.84 0.00 0.00 57.88 58.12 3cma h LEU 175 Cb 0.07 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 3cma h LEU 175 CO -0.04 1.51 0.53 -0.09 -0.34 0.00 0.00 178.44 180.01 3cma h ARG 176 N -0.03 1.01 -0.87 1.25 2.43 -0.76 -0.49 114.38 116.92 3cma h ARG 176 Ca -0.17 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 58.97 3cma h ARG 176 Cb 1.80 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 31.08 3cma h ARG 176 CO 0.20 0.67 0.57 1.49 -1.51 0.00 0.00 179.97 181.39 3cma h GLU 177 N 1.04 1.07 -0.46 0.20 4.57 -1.11 -0.07 114.58 119.82 3cma h GLU 177 Ca 0.32 -0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 58.32 3cma h GLU 177 Cb -0.02 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.32 3cma h GLU 177 CO -0.10 0.71 -0.18 1.15 -1.18 0.00 0.00 179.01 179.40 3cma h THR 178 N 1.10 1.27 -0.01 0.32 2.02 -0.81 -2.81 112.91 113.99 3cma h THR 178 Ca 0.34 -1.33 -0.17 0.00 0.77 0.00 0.00 66.41 66.02 3cma h THR 178 Cb -0.00 1.15 0.01 0.00 -1.74 0.00 0.00 68.15 67.57 3cma h THR 178 CO -0.10 0.46 -0.65 -0.07 0.37 0.00 0.00 175.52 175.52 3cma h LEU 179 N 0.78 0.58 -2.00 2.58 3.38 -0.76 -3.19 115.31 116.70 3cma h LEU 179 Ca 0.11 -0.75 -0.01 0.00 0.09 0.00 0.00 57.88 57.31 3cma h LEU 179 Cb 0.75 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3cma h LEU 179 CO 0.06 1.26 -0.07 -0.07 0.09 0.00 0.00 178.44 179.71 3cma h LEU 180 N -0.03 0.00 -9.79 1.67 4.07 -1.09 -3.43 115.31 106.70 3cma h LEU 180 Ca -0.08 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.34 3cma h LEU 180 Cb 1.36 0.00 0.09 0.00 1.08 0.00 0.00 40.66 43.18 3cma h LEU 180 CO 0.13 0.07 0.87 -0.67 -1.08 0.00 0.00 178.44 177.76 3cma n ASP 181 N -4.19 3.82 -0.03 -0.43 -0.08 -1.06 -4.95 116.55 109.64 3cma n ASP 181 Ca -0.03 1.15 -0.03 0.00 -1.51 0.00 0.00 54.79 54.38 3cma n ASP 181 Cb 0.15 -1.59 -0.02 0.00 2.34 0.00 0.00 41.12 42.01 3cma n ASP 181 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3cma h GLY 182 N 4.71 -1.83 0.00 0.27 0.00 -1.88 -3.36 103.07 100.99 3cma h GLY 182 Ca -0.47 0.84 0.00 0.00 0.00 0.00 0.00 47.33 47.70 3cma h GLY 182 CO 0.79 -0.64 0.00 1.22 0.00 0.00 0.00 176.54 177.90 3cma n ASP 183 N -3.23 0.00 -1.27 0.19 8.00 -1.26 -4.91 116.55 114.07 3cma n ASP 183 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 3cma n ASP 183 Cb 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 3cma n ASP 183 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cma n ILE 184 N 0.00 0.00 -2.68 0.53 3.06 -1.26 -4.75 119.36 114.27 3cma n ILE 184 Ca 0.00 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 59.83 3cma n ILE 184 Cb 0.00 -0.36 -0.03 0.00 0.54 0.00 0.00 39.64 39.79 3cma n ILE 184 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 3cma s GLU 185 N -0.12 3.60 0.00 9.51 2.02 -1.26 -5.17 118.70 127.28 3cma s GLU 185 Ca 0.00 -1.34 0.12 0.00 0.02 0.00 0.00 54.97 53.77 3cma s GLU 185 Cb 0.00 -5.22 0.71 0.00 0.10 0.00 0.00 34.13 29.73 3cma s GLU 185 CO 0.00 -2.07 1.15 1.28 0.02 0.00 0.00 175.26 175.64