#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k3y s GLU 3 N 0.00 0.38 0.68 0.00 -1.05 -1.26 -5.10 118.70 112.35 1k3y s GLU 3 Ca 0.00 0.21 -0.17 0.00 -0.15 0.00 0.00 54.97 54.86 1k3y s GLU 3 Cb 0.00 0.18 -0.04 0.00 -0.44 0.00 0.00 34.13 33.83 1k3y s GLU 3 CO 0.00 -0.10 0.69 1.63 0.95 0.00 0.00 175.26 178.43 1k3y n LYS 4 N 1.13 0.47 -1.71 -4.83 5.02 -1.26 -4.83 118.16 112.15 1k3y n LYS 4 Ca -0.09 0.20 -0.40 0.00 -2.02 0.00 0.00 58.31 56.01 1k3y n LYS 4 Cb 0.58 -1.94 0.03 0.00 -0.02 0.00 0.00 35.03 33.67 1k3y n LYS 4 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1k3y n PRO 5 N -0.89 1.74 -4.00 1.97 -0.02 -1.26 -4.77 135.00 127.77 1k3y n PRO 5 Ca 0.12 0.63 -0.34 0.00 -2.02 0.00 0.00 63.50 61.88 1k3y n PRO 5 Cb 0.49 -2.43 -0.15 0.00 -0.02 0.00 0.00 33.50 31.39 1k3y n PRO 5 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1k3y s LYS 6 N -2.51 2.99 -0.34 -0.52 2.20 -0.56 -1.18 119.74 119.81 1k3y s LYS 6 Ca 0.66 -0.87 -0.14 0.00 -0.36 0.00 0.00 55.97 55.26 1k3y s LYS 6 Cb -0.46 -2.87 -0.01 0.00 -1.51 0.00 0.00 37.83 32.97 1k3y s LYS 6 CO 0.54 -0.30 0.33 -0.51 -0.36 0.00 0.00 175.35 175.04 1k3y s LEU 7 N 1.34 4.47 -0.39 5.43 1.43 0.06 -0.77 118.68 130.25 1k3y s LEU 7 Ca 0.03 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 52.70 1k3y s LEU 7 Cb -0.15 -2.28 0.02 0.00 0.03 0.00 0.00 46.19 43.81 1k3y s LEU 7 CO -0.07 -0.31 0.26 -1.00 0.23 0.00 0.00 176.35 175.46 1k3y s HIS 8 N 1.93 3.24 0.23 0.29 3.76 -0.14 -0.67 115.29 123.94 1k3y s HIS 8 Ca 0.10 -0.72 -0.21 0.00 -0.15 0.00 0.00 55.06 54.08 1k3y s HIS 8 Cb -0.17 -2.52 0.07 0.00 1.11 0.00 0.00 32.58 31.07 1k3y s HIS 8 CO 0.11 -0.60 0.97 -0.47 -0.85 0.00 0.00 174.74 173.90 1k3y s TYR 9 N 1.63 0.06 0.65 1.40 5.04 -1.20 -2.75 117.35 122.19 1k3y s TYR 9 Ca 0.04 -0.52 -0.04 0.00 -2.44 0.00 0.00 57.07 54.10 1k3y s TYR 9 Cb -0.19 0.73 0.05 0.00 0.35 0.00 0.00 41.96 42.90 1k3y s TYR 9 CO 0.09 -1.08 0.94 -0.59 -1.34 0.00 0.00 175.55 173.56 1k3y s PHE 10 N -2.33 2.93 -1.16 4.97 -0.00 -1.26 -1.19 117.98 119.93 1k3y s PHE 10 Ca 0.19 0.33 -0.18 0.00 -0.00 0.00 0.00 56.93 57.27 1k3y s PHE 10 Cb -0.03 -3.04 0.09 0.00 -0.00 0.00 0.00 43.02 40.04 1k3y s PHE 10 CO 0.07 -1.22 1.52 1.21 -0.00 0.00 0.00 175.22 176.80 1k3y s ASN 11 N -4.48 6.77 -0.04 1.98 3.84 -1.26 -4.80 114.94 116.97 1k3y s ASN 11 Ca 0.59 -2.26 -0.30 0.00 0.21 0.00 0.00 52.86 51.10 1k3y s ASN 11 Cb -0.11 -2.52 0.11 0.00 -0.55 0.00 0.00 41.25 38.19 1k3y s ASN 11 CO 0.43 -1.16 1.12 0.00 -2.79 0.00 0.00 177.10 174.70 1k3y s ALA 12 N 3.67 -1.99 0.00 1.71 0.00 -1.26 -5.05 121.76 118.84 1k3y s ALA 12 Ca 0.47 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.36 1k3y s ALA 12 Cb 0.00 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.40 1k3y s ALA 12 CO -0.00 -0.84 0.87 0.54 0.00 0.00 0.00 175.76 176.32 1k3y n ARG 13 N -0.31 0.00 0.00 0.00 1.74 -1.26 -4.73 116.66 112.09 1k3y n ARG 13 Ca -0.05 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 1k3y n ARG 13 Cb 0.61 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 1k3y n ARG 13 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k3y n GLY 14 N -0.72 2.22 0.29 -0.13 0.00 -1.26 -1.81 105.19 103.79 1k3y n GLY 14 Ca 0.00 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.08 1k3y n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k3y n ARG 15 N 14.00 1.25 -0.01 1.61 1.74 -1.26 -3.82 116.66 130.17 1k3y n ARG 15 Ca 0.00 -0.59 0.10 0.00 -0.77 0.00 0.00 57.85 56.60 1k3y n ARG 15 Cb 0.00 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 29.80 1k3y n ARG 15 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 1k3y n MET 16 N -0.36 0.46 0.04 5.56 1.56 -0.85 -4.62 117.12 118.92 1k3y n MET 16 Ca 0.18 -0.12 -0.02 0.00 -0.27 0.00 0.00 57.70 57.47 1k3y n MET 16 Cb 0.29 -1.50 0.25 0.00 2.15 0.00 0.00 33.22 34.42 1k3y n MET 16 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 1k3y h GLU 17 N 0.00 0.40 0.00 2.12 4.57 -1.46 -1.88 114.58 118.33 1k3y h GLU 17 Ca 0.00 -0.14 -0.06 0.00 -1.18 0.00 0.00 59.36 57.98 1k3y h GLU 17 Cb 0.79 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.34 1k3y h GLU 17 CO 0.00 0.60 -0.30 0.66 -1.18 0.00 0.00 179.01 178.80 1k3y h SER 18 N 0.36 0.00 -0.29 1.04 4.64 -1.85 -0.92 113.55 116.54 1k3y h SER 18 Ca 0.06 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.25 1k3y h SER 18 Cb 0.59 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1k3y h SER 18 CO 0.04 0.30 -0.34 0.74 -0.87 0.00 0.00 176.83 176.70 1k3y h THR 19 N 0.00 1.30 -0.49 2.95 2.02 -1.69 -1.70 112.91 115.31 1k3y h THR 19 Ca -0.00 -1.52 0.04 0.00 0.77 0.00 0.00 66.41 65.70 1k3y h THR 19 Cb 0.63 1.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.61 1k3y h THR 19 CO 0.04 0.49 0.25 0.03 0.37 0.00 0.00 175.52 176.70 1k3y h ARG 20 N 0.48 0.49 -0.39 6.66 3.08 -0.65 -0.08 114.38 123.96 1k3y h ARG 20 Ca 0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1k3y h ARG 20 Cb 0.92 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 1k3y h ARG 20 CO 0.08 0.32 0.26 -1.49 -1.07 0.00 0.00 179.97 178.07 1k3y h TRP 21 N 0.50 0.50 -0.23 3.04 4.06 -1.16 -1.60 115.95 121.07 1k3y h TRP 21 Ca 0.21 0.01 -0.09 0.00 2.06 0.00 0.00 58.89 61.08 1k3y h TRP 21 Cb 0.10 -0.17 -0.00 0.00 -1.00 0.00 0.00 29.16 28.08 1k3y h TRP 21 CO -0.09 0.32 -0.20 1.25 -3.56 0.00 0.00 178.44 176.16 1k3y h LEU 22 N 0.53 0.58 -0.38 -4.49 5.85 -0.92 0.91 115.31 117.40 1k3y h LEU 22 Ca 0.14 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1k3y h LEU 22 Cb -0.05 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1k3y h LEU 22 CO -0.03 0.92 0.25 -0.07 -0.34 0.00 0.00 178.44 179.17 1k3y h LEU 23 N 0.25 0.45 -0.65 2.25 3.38 -1.00 -1.48 115.31 118.51 1k3y h LEU 23 Ca 0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1k3y h LEU 23 Cb 0.75 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1k3y h LEU 23 CO 0.05 0.33 0.40 0.00 0.09 0.00 0.00 178.44 179.32 1k3y h ALA 24 N 1.13 0.83 -0.67 1.53 0.00 -1.16 -0.82 119.26 120.10 1k3y h ALA 24 Ca 0.14 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1k3y h ALA 24 Cb -0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1k3y h ALA 24 CO -0.03 0.30 0.41 0.00 0.00 0.00 0.00 179.25 179.93 1k3y h ALA 25 N 1.21 1.45 0.00 0.00 0.00 -0.50 -1.05 119.26 120.37 1k3y h ALA 25 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1k3y h ALA 25 Cb -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1k3y h ALA 25 CO -0.04 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1k3y n ALA 26 N -2.43 2.37 -0.90 0.00 0.00 -0.58 -4.74 120.51 114.22 1k3y n ALA 26 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1k3y n ALA 26 Cb 0.07 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1k3y n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k3y n GLY 27 N 0.86 0.49 3.52 0.00 0.00 -0.40 -5.01 105.19 104.64 1k3y n GLY 27 Ca 0.15 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 1k3y n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k3y s VAL 28 N -2.00 5.24 0.32 1.61 1.01 -0.38 -5.02 120.40 121.18 1k3y s VAL 28 Ca 0.00 -0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.45 1k3y s VAL 28 Cb 0.00 -3.70 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 1k3y s VAL 28 CO 0.00 -0.02 1.15 -1.61 0.00 0.00 0.00 175.10 174.62 1k3y s GLU 29 N 1.71 4.45 0.09 2.72 2.02 -1.26 -4.27 118.70 124.16 1k3y s GLU 29 Ca 0.06 1.87 -0.00 0.00 0.02 0.00 0.00 54.97 56.91 1k3y s GLU 29 Cb -0.17 -3.03 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 1k3y s GLU 29 CO 0.10 0.02 -0.01 -0.59 0.02 0.00 0.00 175.26 174.79 1k3y s PHE 30 N -1.24 0.72 0.18 1.61 -0.12 -1.26 -4.19 117.98 113.68 1k3y s PHE 30 Ca 0.48 -1.08 0.09 0.00 -0.05 0.00 0.00 56.93 56.37 1k3y s PHE 30 Cb -0.32 -0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 41.57 1k3y s PHE 30 CO 0.42 -0.36 -0.09 -1.21 -0.05 0.00 0.00 175.22 173.93 1k3y s GLU 31 N -3.93 2.08 -0.02 1.99 2.02 -0.33 -5.00 118.70 115.51 1k3y s GLU 31 Ca 0.13 -1.26 0.07 0.00 0.02 0.00 0.00 54.97 53.93 1k3y s GLU 31 Cb 0.07 -2.17 -0.02 0.00 0.10 0.00 0.00 34.13 32.12 1k3y s GLU 31 CO -0.05 0.44 -0.22 -1.21 0.02 0.00 0.00 175.26 174.24 1k3y s GLU 32 N -2.83 1.80 -0.32 1.61 2.02 -1.26 -0.76 118.70 118.97 1k3y s GLU 32 Ca 0.25 -0.78 -0.01 0.00 0.02 0.00 0.00 54.97 54.45 1k3y s GLU 32 Cb -0.09 -1.72 0.06 0.00 0.10 0.00 0.00 34.13 32.48 1k3y s GLU 32 CO 0.15 0.45 0.02 0.21 0.02 0.00 0.00 175.26 176.12 1k3y s LYS 33 N -0.47 2.28 -0.21 1.61 2.20 0.16 -4.90 119.74 120.41 1k3y s LYS 33 Ca 0.07 -1.40 -0.21 0.00 -0.36 0.00 0.00 55.97 54.07 1k3y s LYS 33 Cb -0.09 -3.21 -0.02 0.00 -1.51 0.00 0.00 37.83 33.00 1k3y s LYS 33 CO -0.00 -0.70 0.65 -0.06 -0.36 0.00 0.00 175.35 174.88 1k3y s PHE 34 N 1.20 3.35 0.02 4.03 0.08 -1.26 -3.21 117.98 122.19 1k3y s PHE 34 Ca -0.02 0.93 -0.30 0.00 0.12 0.00 0.00 56.93 57.66 1k3y s PHE 34 Cb -0.20 -2.84 -0.06 0.00 -0.57 0.00 0.00 43.02 39.35 1k3y s PHE 34 CO -0.02 -0.23 1.45 0.42 -0.10 0.00 0.00 175.22 176.74 1k3y s ILE 35 N 2.13 3.57 -0.16 0.64 1.01 -0.34 -4.93 121.20 123.11 1k3y s ILE 35 Ca 0.29 0.97 0.04 0.00 0.00 0.00 0.00 60.65 61.95 1k3y s ILE 35 Cb -0.16 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1k3y s ILE 35 CO 0.10 0.00 0.16 0.29 0.00 0.00 0.00 174.94 175.48 1k3y n LYS 36 N 5.37 5.06 -3.94 2.79 5.02 -1.26 -4.35 118.16 126.85 1k3y n LYS 36 Ca 0.14 -0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.33 1k3y n LYS 36 Cb 0.43 -0.73 -0.07 0.00 -0.02 0.00 0.00 35.03 34.64 1k3y n LYS 36 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1k3y s SER 37 N -1.49 0.05 0.32 4.39 1.04 -1.26 -4.87 113.70 111.88 1k3y s SER 37 Ca 0.01 -0.82 0.01 0.00 0.48 0.00 0.00 55.95 55.63 1k3y s SER 37 Cb 0.03 0.42 0.57 0.00 0.10 0.00 0.00 66.02 67.13 1k3y s SER 37 CO 0.16 -0.86 1.96 0.00 0.98 0.00 0.00 173.24 175.48 1k3y h ALA 38 N 2.58 1.53 -0.87 5.32 0.00 -1.74 -2.16 119.26 123.92 1k3y h ALA 38 Ca -0.32 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1k3y h ALA 38 Cb 1.22 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1k3y h ALA 38 CO 0.50 0.38 0.48 0.93 0.00 0.00 0.00 179.25 181.55 1k3y h GLU 39 N 0.97 1.21 -0.60 0.00 3.07 -1.92 0.55 114.58 117.85 1k3y h GLU 39 Ca 0.32 -0.14 -0.04 0.00 -0.50 0.00 0.00 59.36 59.01 1k3y h GLU 39 Cb 0.07 -0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 27.71 1k3y h GLU 39 CO -0.10 0.88 0.24 -0.44 -1.40 0.00 0.00 179.01 178.19 1k3y h ASP 40 N 1.21 0.84 -0.67 1.42 3.32 -1.80 -1.08 116.42 119.66 1k3y h ASP 40 Ca 0.31 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 1k3y h ASP 40 Cb 0.02 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 1k3y h ASP 40 CO -0.05 0.78 0.18 0.25 -1.72 0.00 0.00 179.24 178.69 1k3y h LEU 41 N 0.84 1.01 -1.05 1.55 5.85 -0.97 -2.66 115.31 119.88 1k3y h LEU 41 Ca 0.20 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1k3y h LEU 41 Cb 0.21 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1k3y h LEU 41 CO -0.02 0.96 -0.28 0.44 -0.34 0.00 0.00 178.44 179.21 1k3y h ASP 42 N 1.03 0.34 -0.36 1.25 3.32 -0.49 -0.90 116.42 120.61 1k3y h ASP 42 Ca 0.22 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1k3y h ASP 42 Cb 0.33 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1k3y h ASP 42 CO -0.00 0.62 0.15 0.50 -1.72 0.00 0.00 179.24 178.78 1k3y h LYS 43 N 0.30 0.54 -0.62 3.56 3.64 -0.91 0.16 116.57 123.25 1k3y h LYS 43 Ca 0.04 -0.10 0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1k3y h LYS 43 Cb 0.65 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.32 1k3y h LYS 43 CO 0.05 0.52 0.30 -0.07 -2.27 0.00 0.00 179.45 177.98 1k3y h LEU 44 N 0.44 0.39 0.01 5.20 3.38 -1.08 -0.10 115.31 123.55 1k3y h LEU 44 Ca 0.12 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1k3y h LEU 44 Cb 0.18 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1k3y h LEU 44 CO -0.01 0.24 -0.01 0.03 0.09 0.00 0.00 178.44 178.78 1k3y h ARG 45 N 0.54 -0.03 0.00 1.13 3.08 -0.84 -2.16 114.38 116.11 1k3y h ARG 45 Ca 0.30 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.28 1k3y h ARG 45 Cb 0.27 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1k3y h ARG 45 CO -0.23 -0.02 -0.30 -0.91 -1.07 0.00 0.00 179.97 177.44 1k3y h ASN 46 N -0.03 0.00 0.16 7.04 2.35 -0.29 -1.89 115.58 122.91 1k3y h ASN 46 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1k3y h ASN 46 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1k3y h ASN 46 CO -0.01 0.30 -0.01 0.47 -1.65 0.00 0.00 177.43 176.53 1k3y n ASP 47 N -3.81 0.21 0.00 5.81 8.00 -0.08 -4.91 116.55 121.76 1k3y n ASP 47 Ca -0.01 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.66 1k3y n ASP 47 Cb 0.39 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 1k3y n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k3y n GLY 48 N 1.11 0.68 0.02 0.44 0.00 -0.71 -4.97 105.19 101.77 1k3y n GLY 48 Ca 0.20 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1k3y n GLY 48 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1k3y n TYR 49 N -2.55 0.20 -3.95 1.61 4.02 -0.83 -4.79 117.16 110.88 1k3y n TYR 49 Ca 0.00 0.06 -0.31 0.00 -0.01 0.00 0.00 57.90 57.64 1k3y n TYR 49 Cb 0.00 -0.43 -0.15 0.00 -0.02 0.00 0.00 39.34 38.73 1k3y n TYR 49 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1k3y s LEU 50 N -3.41 3.65 0.28 7.72 1.43 -1.26 -4.88 118.68 122.21 1k3y s LEU 50 Ca 0.10 -1.78 0.02 0.00 -1.03 0.00 0.00 54.13 51.44 1k3y s LEU 50 Cb 0.16 -1.37 0.59 0.00 0.03 0.00 0.00 46.19 45.61 1k3y s LEU 50 CO 0.68 -0.34 1.81 -0.03 0.23 0.00 0.00 176.35 178.70 1k3y h MET 51 N 7.80 0.86 -0.20 1.70 1.85 -1.87 -1.43 114.93 123.64 1k3y h MET 51 Ca -0.10 -0.05 -0.04 0.00 -0.61 0.00 0.00 59.70 58.89 1k3y h MET 51 Cb 1.03 -0.19 -0.02 0.00 0.43 0.00 0.00 31.60 32.84 1k3y h MET 51 CO 0.48 0.57 -0.05 1.19 -0.40 0.00 0.00 176.91 178.70 1k3y n PHE 52 N -4.69 0.68 -1.68 1.39 3.72 -1.26 -4.96 117.46 110.66 1k3y n PHE 52 Ca 0.20 -1.11 -0.16 0.00 -0.05 0.00 0.00 57.45 56.33 1k3y n PHE 52 Cb 0.41 -0.31 -0.05 0.00 -0.94 0.00 0.00 39.48 38.59 1k3y n PHE 52 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1k3y n GLN 53 N -0.92 -1.16 -4.35 -1.08 1.13 -0.54 -4.99 117.38 105.48 1k3y n GLN 53 Ca 0.23 0.99 -0.20 0.00 -1.94 0.00 0.00 57.00 56.08 1k3y n GLN 53 Cb 0.85 -5.23 -0.10 0.00 0.11 0.00 0.00 30.24 25.87 1k3y n GLN 53 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1k3y s GLN 54 N -3.72 1.33 0.33 -1.09 -0.21 -1.26 -4.99 119.66 110.04 1k3y s GLN 54 Ca 0.00 -1.53 0.08 0.00 0.02 0.00 0.00 55.36 53.93 1k3y s GLN 54 Cb 0.00 -1.23 -0.04 0.00 1.00 0.00 0.00 33.01 32.74 1k3y s GLN 54 CO 0.00 0.22 0.15 0.14 -2.12 0.00 0.00 175.29 173.69 1k3y s VAL 55 N -2.61 3.24 0.46 1.09 -7.23 -1.26 -4.63 120.40 109.45 1k3y s VAL 55 Ca 0.20 -1.65 -0.24 0.00 -1.81 0.00 0.00 61.98 58.49 1k3y s VAL 55 Cb -0.03 -3.02 -0.09 0.00 0.56 0.00 0.00 36.38 33.80 1k3y s VAL 55 CO 0.07 -0.21 1.15 -2.65 -0.31 0.00 0.00 175.10 173.15 1k3y n PRO 56 N -1.16 1.56 -4.18 4.82 -0.02 -1.26 -4.99 135.00 129.77 1k3y n PRO 56 Ca -0.03 0.56 -0.17 0.00 -2.02 0.00 0.00 63.50 61.84 1k3y n PRO 56 Cb 0.61 -2.25 -0.15 0.00 -0.02 0.00 0.00 33.50 31.69 1k3y n PRO 56 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1k3y s MET 57 N -2.28 0.52 -0.09 -0.52 1.75 -1.11 -3.73 119.30 113.84 1k3y s MET 57 Ca 0.65 -0.18 0.02 0.00 -1.25 0.00 0.00 55.69 54.93 1k3y s MET 57 Cb -0.50 -0.52 0.01 0.00 2.84 0.00 0.00 34.83 36.66 1k3y s MET 57 CO 0.55 0.09 -0.15 0.08 -0.65 0.00 0.00 175.02 174.94 1k3y s VAL 58 N 0.07 1.38 -0.35 10.11 1.01 0.16 -0.96 120.40 131.82 1k3y s VAL 58 Ca -0.00 -0.60 -0.21 0.00 0.00 0.00 0.00 61.98 61.16 1k3y s VAL 58 Cb -0.05 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.08 1k3y s VAL 58 CO -0.00 0.41 0.68 -1.61 0.00 0.00 0.00 175.10 174.58 1k3y s GLU 59 N 0.77 3.73 -0.11 2.72 2.02 0.05 -0.65 118.70 127.24 1k3y s GLU 59 Ca -0.12 0.16 -0.07 0.00 0.02 0.00 0.00 54.97 54.97 1k3y s GLU 59 Cb -0.16 -3.80 0.04 0.00 0.10 0.00 0.00 34.13 30.32 1k3y s GLU 59 CO 0.02 -0.74 0.27 -1.50 0.02 0.00 0.00 175.26 173.33 1k3y s ILE 60 N 2.80 -0.03 -1.46 -1.63 2.07 -0.23 -1.50 121.20 121.22 1k3y s ILE 60 Ca 0.26 0.10 -0.05 0.00 -1.41 0.00 0.00 60.65 59.55 1k3y s ILE 60 Cb -0.14 -0.41 0.04 0.00 0.13 0.00 0.00 42.46 42.08 1k3y s ILE 60 CO 0.15 0.04 0.61 0.47 -1.91 0.00 0.00 174.94 174.30 1k3y n ASP 61 N 3.85 -1.58 0.00 4.50 8.00 -1.26 -1.47 116.55 128.59 1k3y n ASP 61 Ca -0.21 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.34 1k3y n ASP 61 Cb 0.55 -3.30 0.00 0.00 -0.02 0.00 0.00 41.12 38.35 1k3y n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k3y n GLY 62 N -1.77 0.78 3.30 0.44 0.00 -1.26 -4.99 105.19 101.69 1k3y n GLY 62 Ca -0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 1k3y n GLY 62 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1k3y s MET 63 N -0.17 1.79 -0.25 1.61 0.00 -0.54 -5.11 119.30 116.64 1k3y s MET 63 Ca 0.00 -2.05 0.02 0.00 0.00 0.00 0.00 55.69 53.66 1k3y s MET 63 Cb 0.00 0.29 0.05 0.00 0.00 0.00 0.00 34.83 35.17 1k3y s MET 63 CO 0.00 -0.66 -0.11 0.15 0.00 0.00 0.00 175.02 174.40 1k3y s LYS 64 N -3.42 2.39 -0.13 3.16 1.02 -1.26 -1.07 119.74 120.43 1k3y s LYS 64 Ca 0.40 -1.25 0.01 0.00 0.02 0.00 0.00 55.97 55.15 1k3y s LYS 64 Cb 0.02 -2.86 -0.01 0.00 -0.52 0.00 0.00 37.83 34.46 1k3y s LYS 64 CO 0.28 -0.51 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.54 1k3y s LEU 65 N 1.15 2.58 0.43 3.17 1.43 0.18 -4.95 118.68 122.67 1k3y s LEU 65 Ca -0.06 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 52.73 1k3y s LEU 65 Cb -0.19 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 1k3y s LEU 65 CO -0.06 0.16 0.31 0.68 0.23 0.00 0.00 176.35 177.67 1k3y s VAL 66 N 0.39 2.43 0.00 -1.59 -7.23 -1.26 -0.66 120.40 112.47 1k3y s VAL 66 Ca -0.12 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 1k3y s VAL 66 Cb -0.16 -2.91 0.00 0.00 0.56 0.00 0.00 36.38 33.87 1k3y s VAL 66 CO 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.85 1k3y n GLN 67 N -1.46 0.00 -0.32 4.82 1.13 -1.24 -4.48 117.38 115.83 1k3y n GLN 67 Ca 0.01 0.46 0.03 0.00 -1.94 0.00 0.00 57.00 55.56 1k3y n GLN 67 Cb 0.63 -0.34 0.10 0.00 0.11 0.00 0.00 30.24 30.75 1k3y n GLN 67 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1k3y h THR 68 N 0.00 0.10 -0.07 5.09 2.02 -1.89 -0.59 112.91 117.57 1k3y h THR 68 Ca 0.00 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 1k3y h THR 68 Cb 0.00 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1k3y h THR 68 CO 0.00 0.00 -0.49 0.03 0.37 0.00 0.00 175.52 175.43 1k3y h ARG 69 N -0.01 0.18 -0.40 6.66 3.08 -1.97 -0.52 114.38 121.40 1k3y h ARG 69 Ca 0.41 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.32 1k3y h ARG 69 Cb 0.64 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1k3y h ARG 69 CO -0.91 0.64 0.10 0.00 -1.07 0.00 0.00 179.97 178.72 1k3y h ALA 70 N 1.35 0.53 0.27 0.04 0.00 -1.39 -0.08 119.26 119.98 1k3y h ALA 70 Ca 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1k3y h ALA 70 Cb 0.93 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1k3y h ALA 70 CO 0.07 0.21 -0.13 0.82 0.00 0.00 0.00 179.25 180.23 1k3y h ILE 71 N 0.51 0.75 -0.48 0.00 2.04 -1.07 -2.03 117.51 117.23 1k3y h ILE 71 Ca 0.13 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 1k3y h ILE 71 Cb 0.31 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1k3y h ILE 71 CO 0.00 0.02 0.22 -0.07 0.00 0.00 0.00 178.15 178.32 1k3y h LEU 72 N -0.40 0.65 -0.70 1.44 3.38 -1.07 -1.47 115.31 117.14 1k3y h LEU 72 Ca -0.04 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1k3y h LEU 72 Cb 0.31 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1k3y h LEU 72 CO 0.06 0.62 0.34 0.78 0.09 0.00 0.00 178.44 180.32 1k3y h ASN 73 N 0.64 0.91 -0.04 -0.43 2.35 -0.96 0.11 115.58 118.15 1k3y h ASN 73 Ca 0.16 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1k3y h ASN 73 Cb 0.15 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1k3y h ASN 73 CO -0.02 0.79 0.02 0.22 -1.65 0.00 0.00 177.43 176.79 1k3y h TYR 74 N 0.97 0.06 -0.41 1.19 3.20 -1.14 -0.83 116.97 120.01 1k3y h TYR 74 Ca 0.24 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 1k3y h TYR 74 Cb 0.12 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1k3y h TYR 74 CO 0.01 0.10 0.24 0.82 -1.64 0.00 0.00 178.16 177.69 1k3y h ILE 75 N -0.00 1.14 -0.73 1.81 2.04 -1.08 0.73 117.51 121.42 1k3y h ILE 75 Ca 0.02 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1k3y h ILE 75 Cb 0.06 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1k3y h ILE 75 CO -0.00 0.14 0.44 0.00 0.00 0.00 0.00 178.15 178.73 1k3y h ALA 76 N 1.11 0.93 -0.36 1.87 0.00 -0.68 -1.62 119.26 120.51 1k3y h ALA 76 Ca 0.15 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1k3y h ALA 76 Cb 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1k3y h ALA 76 CO -0.03 0.40 -0.17 0.77 0.00 0.00 0.00 179.25 180.22 1k3y h SER 77 N 1.00 0.77 -0.84 0.00 0.02 -0.86 0.11 113.55 113.73 1k3y h SER 77 Ca 0.26 -0.41 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1k3y h SER 77 Cb -0.04 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.25 1k3y h SER 77 CO -0.05 1.01 0.56 0.50 -1.14 0.00 0.00 176.83 177.70 1k3y h LYS 78 N 0.53 1.11 -0.63 3.45 3.64 -0.58 -2.73 116.57 121.36 1k3y h LYS 78 Ca 0.08 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1k3y h LYS 78 Cb 0.72 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1k3y h LYS 78 CO 0.05 0.73 0.04 0.66 -2.27 0.00 0.00 179.45 178.67 1k3y n TYR 79 N -4.50 2.04 -3.55 1.91 4.01 -0.63 -4.94 117.16 111.49 1k3y n TYR 79 Ca 0.09 -0.76 -0.24 0.00 -0.16 0.00 0.00 57.90 56.84 1k3y n TYR 79 Cb 0.02 -0.52 0.08 0.00 -0.31 0.00 0.00 39.34 38.60 1k3y n TYR 79 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1k3y n ASN 80 N 0.48 -6.35 -0.47 7.72 5.03 -0.94 -4.89 115.26 115.84 1k3y n ASN 80 Ca 0.28 -0.52 0.09 0.00 0.87 0.00 0.00 54.58 55.31 1k3y n ASN 80 Cb 1.18 -4.99 0.19 0.00 -1.02 0.00 0.00 39.78 35.14 1k3y n ASN 80 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1k3y n LEU 81 N -4.90 3.09 -0.48 3.41 4.77 0.33 -4.60 117.00 118.61 1k3y n LEU 81 Ca 0.00 -3.01 0.07 0.00 -0.03 0.00 0.00 56.01 53.04 1k3y n LEU 81 Cb 0.56 -0.47 0.18 0.00 -2.33 0.00 0.00 43.42 41.37 1k3y n LEU 81 CO 0.63 0.69 0.41 0.00 -1.33 0.00 0.00 177.39 177.79 1k3y n TYR 82 N -0.93 0.00 -0.07 -1.77 4.19 -1.19 -0.25 117.16 117.15 1k3y n TYR 82 Ca 0.18 -1.32 0.01 0.00 3.31 0.00 0.00 57.90 60.08 1k3y n TYR 82 Cb 0.75 -0.22 -0.00 0.00 0.49 0.00 0.00 39.34 40.36 1k3y n TYR 82 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1k3y n GLY 83 N -1.15 -1.30 0.01 2.98 0.00 -1.26 -4.31 105.19 100.16 1k3y n GLY 83 Ca 0.18 -1.52 0.09 0.00 0.00 0.00 0.00 46.02 44.76 1k3y n GLY 83 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1k3y n LYS 84 N -1.15 0.73 -3.81 1.61 2.85 -1.26 -4.94 118.16 112.19 1k3y n LYS 84 Ca 0.00 -0.12 -0.09 0.00 -1.05 0.00 0.00 58.31 57.05 1k3y n LYS 84 Cb 0.03 -1.39 0.02 0.00 -0.65 0.00 0.00 35.03 33.04 1k3y n LYS 84 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1k3y s ASP 85 N -3.68 -0.00 0.31 -5.58 1.47 -1.26 -5.05 116.67 102.87 1k3y s ASP 85 Ca -0.03 -1.12 0.03 0.00 1.18 0.00 0.00 52.55 52.61 1k3y s ASP 85 Cb 0.12 0.84 0.50 0.00 -0.34 0.00 0.00 42.92 44.04 1k3y s ASP 85 CO 0.72 -1.67 1.81 -0.29 0.68 0.00 0.00 175.17 176.42 1k3y h ILE 86 N 2.00 1.23 -0.25 2.11 2.10 -1.96 -0.73 117.51 122.01 1k3y h ILE 86 Ca -0.32 -0.98 -0.18 0.00 1.08 0.00 0.00 64.86 64.47 1k3y h ILE 86 Cb 1.25 1.07 -0.00 0.00 -1.09 0.00 0.00 36.82 38.05 1k3y h ILE 86 CO 0.40 0.32 -0.55 0.11 -1.08 0.00 0.00 178.15 177.35 1k3y h LYS 87 N 0.51 0.77 -0.42 2.19 1.57 -1.99 -1.02 116.57 118.17 1k3y h LYS 87 Ca 0.10 -0.49 -0.09 0.00 -1.87 0.00 0.00 60.65 58.29 1k3y h LYS 87 Cb 0.46 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1k3y h LYS 87 CO 0.02 1.12 -0.12 0.93 -0.57 0.00 0.00 179.45 180.83 1k3y h GLU 88 N 0.59 0.76 -0.47 3.15 5.08 -1.85 -2.29 114.58 119.55 1k3y h GLU 88 Ca 0.01 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1k3y h GLU 88 Cb 1.14 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1k3y h GLU 88 CO 0.12 0.85 0.15 0.00 -1.00 0.00 0.00 179.01 179.13 1k3y h ARG 89 N 0.69 0.69 -0.67 2.33 3.08 -1.01 -0.81 114.38 118.68 1k3y h ARG 89 Ca 0.11 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1k3y h ARG 89 Cb 0.60 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1k3y h ARG 89 CO 0.04 0.60 0.30 0.00 -1.07 0.00 0.00 179.97 179.84 1k3y h ALA 90 N 1.49 0.87 -0.17 0.04 0.00 -0.65 0.19 119.26 121.03 1k3y h ALA 90 Ca 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1k3y h ALA 90 Cb 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1k3y h ALA 90 CO -0.01 0.46 0.07 -0.07 0.00 0.00 0.00 179.25 179.70 1k3y h LEU 91 N 0.94 0.24 -0.22 0.00 3.38 -1.08 -0.85 115.31 117.73 1k3y h LEU 91 Ca 0.23 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1k3y h LEU 91 Cb 0.16 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1k3y h LEU 91 CO -0.02 0.34 -0.03 0.40 0.09 0.00 0.00 178.44 179.22 1k3y h ILE 92 N 0.13 0.81 -0.43 1.22 2.04 -0.94 -0.87 117.51 119.47 1k3y h ILE 92 Ca 0.06 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.92 1k3y h ILE 92 Cb 0.17 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1k3y h ILE 92 CO -0.00 0.01 0.27 0.44 0.00 0.00 0.00 178.15 178.86 1k3y h ASP 93 N 0.03 0.46 -0.37 1.72 3.32 -0.51 0.52 116.42 121.59 1k3y h ASP 93 Ca 0.10 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.17 1k3y h ASP 93 Cb 0.15 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1k3y h ASP 93 CO -0.20 0.33 0.20 -0.03 -1.72 0.00 0.00 179.24 177.82 1k3y h MET 94 N 0.55 0.39 -0.09 3.56 4.05 -0.84 -1.00 114.93 121.55 1k3y h MET 94 Ca 0.16 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.56 1k3y h MET 94 Cb -0.04 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 30.67 1k3y h MET 94 CO -0.05 0.26 0.05 1.88 0.23 0.00 0.00 176.91 179.28 1k3y h TYR 95 N 0.40 0.13 0.00 1.39 0.05 -0.77 -2.73 116.97 115.44 1k3y h TYR 95 Ca 0.16 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.91 1k3y h TYR 95 Cb 0.05 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 1k3y h TYR 95 CO -0.09 0.16 -0.08 -0.84 -1.05 0.00 0.00 178.16 176.25 1k3y h ILE 96 N 0.06 0.17 0.01 -2.88 3.07 -0.77 -1.75 117.51 115.41 1k3y h ILE 96 Ca 0.03 -0.97 -0.20 0.00 1.55 0.00 0.00 64.86 65.28 1k3y h ILE 96 Cb 0.07 1.84 -0.01 0.00 -0.27 0.00 0.00 36.82 38.44 1k3y h ILE 96 CO -0.01 0.08 -0.88 -0.33 -1.05 0.00 0.00 178.15 175.96 1k3y h GLU 97 N 0.00 0.15 -0.45 0.16 4.39 -1.12 0.16 114.58 117.86 1k3y h GLU 97 Ca -0.00 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.51 1k3y h GLU 97 Cb 0.83 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 1k3y h GLU 97 CO 0.01 0.94 0.20 0.78 -1.16 0.00 0.00 179.01 179.78 1k3y h GLY 98 N 2.00 0.71 0.70 -3.84 0.00 -1.15 -1.02 103.07 100.48 1k3y h GLY 98 Ca -0.04 -0.37 0.05 0.00 0.00 0.00 0.00 47.33 46.98 1k3y h GLY 98 CO 0.13 0.35 0.36 -2.22 0.00 0.00 0.00 176.54 175.16 1k3y h ILE 99 N 0.59 0.98 -0.63 2.60 2.04 -1.17 -2.51 117.51 119.40 1k3y h ILE 99 Ca 0.15 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1k3y h ILE 99 Cb 0.15 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 1k3y h ILE 99 CO -0.02 0.12 0.34 0.00 0.00 0.00 0.00 178.15 178.59 1k3y h ALA 100 N 1.33 0.81 -0.72 1.87 0.00 -0.45 0.18 119.26 122.28 1k3y h ALA 100 Ca 0.29 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1k3y h ALA 100 Cb 0.17 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1k3y h ALA 100 CO -0.17 0.34 0.48 -0.44 0.00 0.00 0.00 179.25 179.45 1k3y h ASP 101 N 0.86 0.82 -0.17 0.00 3.32 -0.78 0.92 116.42 121.40 1k3y h ASP 101 Ca 0.22 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 1k3y h ASP 101 Cb 0.06 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 1k3y h ASP 101 CO -0.03 0.59 -0.21 0.25 -1.72 0.00 0.00 179.24 178.11 1k3y h LEU 102 N 0.97 0.48 -1.49 1.55 5.85 -1.17 -2.98 115.31 118.52 1k3y h LEU 102 Ca 0.27 -0.51 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1k3y h LEU 102 Cb -0.10 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1k3y h LEU 102 CO -0.06 0.89 0.25 1.23 -0.34 0.00 0.00 178.44 180.41 1k3y h GLY 103 N 0.08 0.63 1.03 3.75 0.00 -0.41 -1.89 103.07 106.27 1k3y h GLY 103 Ca 0.02 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 1k3y h GLY 103 CO 0.05 0.25 0.23 -2.09 0.00 0.00 0.00 176.54 174.98 1k3y h GLU 104 N 0.60 1.05 -0.68 4.80 4.57 -0.78 0.17 114.58 124.32 1k3y h GLU 104 Ca 0.16 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1k3y h GLU 104 Cb -0.00 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.40 1k3y h GLU 104 CO -0.03 0.90 0.36 0.52 -1.18 0.00 0.00 179.01 179.59 1k3y h MET 105 N 0.99 0.96 -0.24 1.92 2.86 -1.20 -1.99 114.93 118.22 1k3y h MET 105 Ca 0.22 -0.12 -0.11 0.00 -2.06 0.00 0.00 59.70 57.64 1k3y h MET 105 Cb 0.28 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 1k3y h MET 105 CO -0.01 0.73 -0.27 0.82 1.06 0.00 0.00 176.91 179.24 1k3y h ILE 106 N 0.94 1.32 -0.72 -1.22 2.04 -1.14 -2.43 117.51 116.29 1k3y h ILE 106 Ca 0.24 -1.44 0.07 0.00 1.00 0.00 0.00 64.86 64.73 1k3y h ILE 106 Cb 0.06 1.69 -0.06 0.00 -0.74 0.00 0.00 36.82 37.76 1k3y h ILE 106 CO -0.04 0.45 0.40 0.25 0.00 0.00 0.00 178.15 179.21 1k3y h LEU 107 N 0.32 0.58 -0.58 1.44 5.85 -0.43 -2.98 115.31 119.51 1k3y h LEU 107 Ca 0.04 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1k3y h LEU 107 Cb 0.83 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1k3y h LEU 107 CO 0.06 0.36 -0.28 0.18 -0.34 0.00 0.00 178.44 178.42 1k3y n LEU 108 N -4.78 1.18 -0.23 2.25 4.77 -0.77 -4.38 117.00 115.04 1k3y n LEU 108 Ca 0.10 -0.34 0.03 0.00 -0.03 0.00 0.00 56.01 55.77 1k3y n LEU 108 Cb 0.21 -0.10 0.12 0.00 -2.33 0.00 0.00 43.42 41.33 1k3y n LEU 108 CO 0.28 0.22 0.84 0.25 -1.33 0.00 0.00 177.39 177.64 1k3y h LEU 109 N 1.40 -0.28 -0.41 2.23 5.85 -1.27 -0.68 115.31 122.16 1k3y h LEU 109 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1k3y h LEU 109 Cb 0.54 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1k3y h LEU 109 CO 0.00 -0.13 0.00 -2.65 -0.34 0.00 0.00 178.44 175.32 1k3y n PRO 110 N -5.29 0.10 -0.00 5.25 -0.02 -1.26 -1.59 135.00 132.19 1k3y n PRO 110 Ca 0.11 0.36 0.13 0.00 -2.02 0.00 0.00 63.50 62.08 1k3y n PRO 110 Cb 0.40 -1.70 0.32 0.00 -0.02 0.00 0.00 33.50 32.50 1k3y n PRO 110 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1k3y n VAL 111 N -1.90 0.01 -2.08 -1.45 0.24 -0.28 -4.93 118.33 107.95 1k3y n VAL 111 Ca 0.02 -0.37 -0.38 0.00 -2.04 0.00 0.00 64.34 61.57 1k3y n VAL 111 Cb 0.19 0.96 0.01 0.00 -1.47 0.00 0.00 33.84 33.53 1k3y n VAL 111 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k3y n PRO 113 N -0.59 1.33 -0.11 0.00 -0.02 -1.26 -4.79 135.00 129.56 1k3y n PRO 113 Ca 0.08 0.47 0.20 0.00 -2.02 0.00 0.00 63.50 62.23 1k3y n PRO 113 Cb 0.46 -1.96 0.62 0.00 -0.02 0.00 0.00 33.50 32.60 1k3y n PRO 113 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1k3y h PRO 114 N 3.14 0.17 0.00 0.52 0.11 -1.95 -0.09 132.00 133.90 1k3y h PRO 114 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1k3y h PRO 114 Cb 1.33 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1k3y h PRO 114 CO 0.68 0.11 0.00 -0.85 -0.21 0.00 0.00 178.00 177.73 1k3y n GLU 115 N -4.40 0.10 -0.00 1.05 0.00 -1.26 -2.61 120.64 113.52 1k3y n GLU 115 Ca 0.14 0.24 0.10 0.00 0.00 0.00 0.00 57.16 57.63 1k3y n GLU 115 Cb 0.65 -1.66 -0.12 0.00 0.00 0.00 0.00 31.44 30.31 1k3y n GLU 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1k3y n GLU 116 N -1.84 0.37 -0.21 3.44 1.02 -0.06 -4.69 120.64 118.68 1k3y n GLU 116 Ca 0.04 -0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 57.08 1k3y n GLU 116 Cb 0.27 -1.46 0.03 0.00 -0.02 0.00 0.00 31.44 30.26 1k3y n GLU 116 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1k3y h LYS 117 N 0.00 0.91 -0.61 3.49 3.64 -1.33 -1.55 116.57 121.11 1k3y h LYS 117 Ca 0.00 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 1k3y h LYS 117 Cb 0.54 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1k3y h LYS 117 CO 0.00 0.80 0.30 -0.44 -2.27 0.00 0.00 179.45 177.84 1k3y h ASP 118 N 0.83 0.80 -0.02 4.20 3.32 -1.84 0.21 116.42 123.93 1k3y h ASP 118 Ca 0.19 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 1k3y h ASP 118 Cb 0.26 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1k3y h ASP 118 CO -0.01 0.70 -0.39 0.00 -1.72 0.00 0.00 179.24 177.82 1k3y h ALA 119 N 1.13 0.89 -0.44 3.45 0.00 -1.84 -1.27 119.26 121.17 1k3y h ALA 119 Ca 0.21 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1k3y h ALA 119 Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1k3y h ALA 119 CO -0.03 0.63 -0.26 -0.22 0.00 0.00 0.00 179.25 179.38 1k3y h LYS 120 N 0.44 0.94 -0.52 0.00 3.64 -0.71 -1.39 116.57 118.97 1k3y h LYS 120 Ca 0.04 -0.42 -0.04 0.00 -1.27 0.00 0.00 60.65 58.96 1k3y h LYS 120 Cb 0.88 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 1k3y h LYS 120 CO 0.07 1.08 0.16 1.25 -2.27 0.00 0.00 179.45 179.75 1k3y h LEU 121 N 0.80 0.76 -1.16 5.20 5.85 -0.79 -1.17 115.31 124.80 1k3y h LEU 121 Ca 0.10 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1k3y h LEU 121 Cb 0.83 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1k3y h LEU 121 CO 0.07 0.76 0.34 0.00 -0.34 0.00 0.00 178.44 179.28 1k3y h ALA 122 N 1.02 1.36 -0.42 1.25 0.00 -1.05 -1.17 119.26 120.26 1k3y h ALA 122 Ca 0.17 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1k3y h ALA 122 Cb 0.28 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1k3y h ALA 122 CO -0.00 0.52 0.00 1.25 0.00 0.00 0.00 179.25 181.01 1k3y h LEU 123 N 0.92 0.72 -0.57 0.00 5.85 -0.94 -1.60 115.31 119.70 1k3y h LEU 123 Ca 0.23 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1k3y h LEU 123 Cb 0.06 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1k3y h LEU 123 CO -0.03 0.85 0.37 0.40 -0.34 0.00 0.00 178.44 179.68 1k3y h ILE 124 N 0.57 1.15 -0.74 4.05 2.04 -0.78 -0.36 117.51 123.43 1k3y h ILE 124 Ca 0.12 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.65 1k3y h ILE 124 Cb 0.48 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1k3y h ILE 124 CO 0.02 0.15 0.28 0.11 0.00 0.00 0.00 178.15 178.71 1k3y h LYS 125 N 0.77 1.12 -0.43 2.37 1.57 -1.03 -0.19 116.57 120.75 1k3y h LYS 125 Ca 0.21 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1k3y h LYS 125 Cb -0.08 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 1k3y h LYS 125 CO -0.04 0.92 0.16 1.49 -0.57 0.00 0.00 179.45 181.41 1k3y h GLU 126 N 1.09 0.65 -0.34 3.15 4.22 -0.95 -1.76 114.58 120.64 1k3y h GLU 126 Ca 0.25 -0.12 -0.10 0.00 0.08 0.00 0.00 59.36 59.46 1k3y h GLU 126 Cb 0.23 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1k3y h GLU 126 CO -0.02 0.61 -0.22 0.87 -2.18 0.00 0.00 179.01 178.07 1k3y h LYS 127 N 0.55 0.65 -0.00 1.92 1.57 -0.74 0.15 116.57 120.68 1k3y h LYS 127 Ca 0.14 -0.25 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1k3y h LYS 127 Cb 0.21 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1k3y h LYS 127 CO -0.01 0.82 -0.05 0.82 -0.57 0.00 0.00 179.45 180.46 1k3y h ILE 128 N 0.57 0.86 -0.25 1.86 2.04 -0.83 0.32 117.51 122.09 1k3y h ILE 128 Ca 0.08 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.79 1k3y h ILE 128 Cb 0.69 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1k3y h ILE 128 CO 0.05 0.00 -0.47 0.50 0.00 0.00 0.00 178.15 178.23 1k3y h LYS 129 N -0.09 0.67 0.00 2.37 1.63 -1.07 -0.64 116.57 119.45 1k3y h LYS 129 Ca 0.02 -0.38 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 1k3y h LYS 129 Cb 0.12 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1k3y h LYS 129 CO -0.06 1.00 -1.61 0.09 -3.45 0.00 0.00 179.45 175.42 1k3y n ASN 130 N -4.01 1.49 0.04 4.20 3.02 0.02 -4.40 115.26 115.62 1k3y n ASN 130 Ca -0.03 -0.06 -0.01 0.00 -0.03 0.00 0.00 54.58 54.45 1k3y n ASN 130 Cb 0.57 1.64 -0.00 0.00 -0.61 0.00 0.00 39.78 41.37 1k3y n ASN 130 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1k3y n ARG 131 N -1.97 0.04 -0.05 3.52 0.63 -0.12 -4.79 116.66 113.91 1k3y n ARG 131 Ca -0.02 0.01 -0.15 0.00 -0.92 0.00 0.00 57.85 56.77 1k3y n ARG 131 Cb 0.38 -0.55 -0.13 0.00 0.45 0.00 0.00 32.46 32.61 1k3y n ARG 131 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 1k3y h TYR 132 N -0.07 0.09 -0.51 -0.14 0.05 -1.09 -2.87 116.97 112.43 1k3y h TYR 132 Ca 0.00 -0.06 -0.04 0.00 0.05 0.00 0.00 58.73 58.67 1k3y h TYR 132 Cb 0.07 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.79 1k3y h TYR 132 CO -0.03 1.07 0.15 0.74 -1.05 0.00 0.00 178.16 179.04 1k3y h PHE 133 N -0.90 0.83 -0.98 4.88 -1.00 -1.32 -2.15 116.94 116.29 1k3y h PHE 133 Ca -0.04 -0.09 0.13 0.00 2.81 0.00 0.00 57.97 60.78 1k3y h PHE 133 Cb 1.12 -0.24 -0.09 0.00 3.61 0.00 0.00 35.95 40.35 1k3y h PHE 133 CO 0.26 0.72 0.61 -1.35 -1.61 0.00 0.00 178.31 176.94 1k3y h PRO 134 N 0.69 0.91 -0.44 1.51 0.11 -1.75 0.62 132.00 133.65 1k3y h PRO 134 Ca 0.16 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.14 1k3y h PRO 134 Cb 0.29 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 1k3y h PRO 134 CO -0.00 0.60 -0.03 0.00 -0.21 0.00 0.00 178.00 178.36 1k3y h ALA 135 N 1.55 0.60 0.04 -0.75 0.00 -1.19 -1.45 119.26 118.06 1k3y h ALA 135 Ca 0.50 -0.29 -0.23 0.00 0.00 0.00 0.00 54.91 54.89 1k3y h ALA 135 Cb 0.54 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1k3y h ALA 135 CO -0.28 0.42 -1.01 0.74 0.00 0.00 0.00 179.25 179.11 1k3y h PHE 136 N 0.64 0.44 -0.91 0.00 0.04 -1.02 -2.62 116.94 113.51 1k3y h PHE 136 Ca 0.12 -0.27 0.05 0.00 2.80 0.00 0.00 57.97 60.67 1k3y h PHE 136 Cb 0.53 -0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.59 1k3y h PHE 136 CO 0.04 1.12 0.59 1.49 -0.60 0.00 0.00 178.31 180.96 1k3y h GLU 137 N 0.13 1.06 -0.34 1.51 4.57 -0.77 -2.33 114.58 118.42 1k3y h GLU 137 Ca -0.08 -0.06 -0.14 0.00 -1.18 0.00 0.00 59.36 57.90 1k3y h GLU 137 Cb 1.68 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 30.02 1k3y h GLU 137 CO 0.16 0.70 -0.36 -0.22 -1.18 0.00 0.00 179.01 178.12 1k3y h LYS 138 N 1.09 0.77 0.03 1.92 3.64 -1.13 0.39 116.57 123.28 1k3y h LYS 138 Ca 0.37 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1k3y h LYS 138 Cb 0.10 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1k3y h LYS 138 CO -0.13 1.00 -0.03 0.28 -2.27 0.00 0.00 179.45 178.31 1k3y h VAL 139 N 0.64 0.94 -0.59 2.00 2.07 -1.07 -0.16 116.25 120.08 1k3y h VAL 139 Ca 0.06 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 1k3y h VAL 139 Cb 0.90 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1k3y h VAL 139 CO 0.08 0.00 0.18 -0.07 0.02 0.00 0.00 177.57 177.79 1k3y h LEU 140 N -0.06 0.83 -1.07 2.57 3.38 -1.19 -2.42 115.31 117.35 1k3y h LEU 140 Ca 0.00 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 1k3y h LEU 140 Cb 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1k3y h LEU 140 CO -0.01 0.78 -0.35 0.50 0.09 0.00 0.00 178.44 179.46 1k3y h LYS 141 N 0.87 0.21 -0.58 1.13 3.64 -0.68 -0.18 116.57 120.97 1k3y h LYS 141 Ca 0.20 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1k3y h LYS 141 Cb 0.25 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1k3y h LYS 141 CO -0.01 0.54 0.36 0.66 -2.27 0.00 0.00 179.45 178.72 1k3y h SER 142 N 0.18 0.69 0.00 4.20 4.64 -0.50 -3.32 113.55 119.43 1k3y h SER 142 Ca 0.02 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1k3y h SER 142 Cb 0.71 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1k3y h SER 142 CO 0.05 0.54 -0.48 0.00 -0.87 0.00 0.00 176.83 176.07 1k3y n HIS 143 N -4.64 0.00 -1.29 4.77 1.44 -1.19 -5.04 115.22 109.26 1k3y n HIS 143 Ca 0.04 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.65 1k3y n HIS 143 Cb 0.05 -0.03 -0.04 0.00 0.12 0.00 0.00 29.99 30.09 1k3y n HIS 143 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1k3y n GLY 144 N 1.34 1.09 3.91 -1.39 0.00 -0.08 -4.99 105.19 105.07 1k3y n GLY 144 Ca 0.01 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 1k3y n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k3y s GLN 145 N -2.67 3.55 0.28 1.61 -0.21 -1.26 -5.02 119.66 115.94 1k3y s GLN 145 Ca 0.00 -0.25 0.26 0.00 0.02 0.00 0.00 55.36 55.39 1k3y s GLN 145 Cb 0.00 -2.86 0.89 0.00 1.00 0.00 0.00 33.01 32.04 1k3y s GLN 145 CO 0.00 0.44 1.76 -0.44 -2.12 0.00 0.00 175.29 174.93 1k3y h ASP 146 N 2.40 0.00 -2.46 5.90 3.45 -1.94 -3.45 116.42 120.32 1k3y h ASP 146 Ca -0.47 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.42 1k3y h ASP 146 Cb 1.18 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 39.81 1k3y h ASP 146 CO 0.70 0.00 -0.75 -0.31 -1.57 0.00 0.00 179.24 177.32 1k3y s TYR 147 N -3.24 2.14 0.13 4.55 2.02 -1.26 -4.92 117.35 116.77 1k3y s TYR 147 Ca 0.07 -0.40 -0.13 0.00 -0.37 0.00 0.00 57.07 56.24 1k3y s TYR 147 Cb 0.10 -0.96 -0.03 0.00 -0.40 0.00 0.00 41.96 40.67 1k3y s TYR 147 CO 0.52 0.62 1.52 -0.07 -1.57 0.00 0.00 175.55 176.56 1k3y h LEU 148 N 2.33 0.85 -7.84 -1.29 3.38 -1.87 -3.42 115.31 107.46 1k3y h LEU 148 Ca -0.40 -0.39 -0.38 0.00 0.09 0.00 0.00 57.88 56.80 1k3y h LEU 148 Cb 1.25 -0.23 -0.32 0.00 0.09 0.00 0.00 40.66 41.45 1k3y h LEU 148 CO 0.61 1.05 -0.77 -0.69 0.09 0.00 0.00 178.44 178.73 1k3y s VAL 149 N -4.67 0.53 -0.30 1.22 1.01 -1.26 -4.87 120.40 112.05 1k3y s VAL 149 Ca -0.12 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1k3y s VAL 149 Cb 0.10 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.98 1k3y s VAL 149 CO 0.84 0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.74 1k3y n GLY 150 N 3.55 0.51 2.93 4.51 0.00 -1.26 -3.18 105.19 112.26 1k3y n GLY 150 Ca -0.20 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.45 1k3y n GLY 150 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k3y n ASN 151 N -0.25 -5.39 -3.56 1.61 5.15 -1.26 -4.95 115.26 106.61 1k3y n ASN 151 Ca -0.03 -0.22 -0.17 0.00 -0.60 0.00 0.00 54.58 53.56 1k3y n ASN 151 Cb 0.27 -4.41 -0.06 0.00 -0.53 0.00 0.00 39.78 35.04 1k3y n ASN 151 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1k3y s LYS 152 N -5.60 1.00 0.23 1.20 2.20 -1.19 -4.86 119.74 112.72 1k3y s LYS 152 Ca 0.24 0.24 -0.31 0.00 -0.36 0.00 0.00 55.97 55.78 1k3y s LYS 152 Cb -0.12 0.47 -0.14 0.00 -1.51 0.00 0.00 37.83 36.53 1k3y s LYS 152 CO 0.30 -0.30 1.32 -0.11 -0.36 0.00 0.00 175.35 176.20 1k3y n LEU 153 N 1.05 2.65 -4.21 5.43 7.94 -1.26 -4.59 117.00 124.01 1k3y n LEU 153 Ca -0.19 1.15 -0.15 0.00 -1.11 0.00 0.00 56.01 55.71 1k3y n LEU 153 Cb 0.57 -1.37 -0.08 0.00 0.53 0.00 0.00 43.42 43.06 1k3y n LEU 153 CO 0.23 -0.75 -0.13 -0.94 -1.11 0.00 0.00 177.39 174.69 1k3y s SER 154 N 0.14 0.78 0.52 1.96 1.04 -1.26 -4.83 113.70 112.05 1k3y s SER 154 Ca 0.68 -1.51 0.17 0.00 0.48 0.00 0.00 55.95 55.77 1k3y s SER 154 Cb -0.70 0.48 1.28 0.00 0.10 0.00 0.00 66.02 67.18 1k3y s SER 154 CO 0.51 -0.98 2.13 0.08 0.98 0.00 0.00 173.24 175.96 1k3y h ARG 155 N 2.37 0.01 -0.70 4.02 0.11 -1.00 -2.05 114.38 117.15 1k3y h ARG 155 Ca -0.31 -0.00 0.09 0.00 0.10 0.00 0.00 59.98 59.87 1k3y h ARG 155 Cb 1.24 -0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.25 1k3y h ARG 155 CO 0.44 0.01 0.34 0.00 0.10 0.00 0.00 179.97 180.86 1k3y h ALA 156 N 1.97 0.95 -0.67 0.08 0.00 -1.90 0.87 119.26 120.55 1k3y h ALA 156 Ca 0.03 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1k3y h ALA 156 Cb 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1k3y h ALA 156 CO -0.00 -0.06 0.26 -0.44 0.00 0.00 0.00 179.25 179.01 1k3y h ASP 157 N 0.58 0.94 -0.04 0.00 3.32 -1.77 -0.98 116.42 118.46 1k3y h ASP 157 Ca 0.34 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1k3y h ASP 157 Cb 0.36 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1k3y h ASP 157 CO -0.27 0.86 -0.00 0.40 -1.72 0.00 0.00 179.24 178.50 1k3y h ILE 158 N 0.96 1.27 -0.42 0.35 1.08 -1.37 -1.45 117.51 117.93 1k3y h ILE 158 Ca 0.22 -0.82 -0.09 0.00 -0.39 0.00 0.00 64.86 63.78 1k3y h ILE 158 Cb 0.22 1.74 -0.02 0.00 -3.07 0.00 0.00 36.82 35.68 1k3y h ILE 158 CO -0.02 0.22 -0.11 0.45 -0.69 0.00 0.00 178.15 178.01 1k3y h HIS 159 N -0.24 0.82 -0.11 1.37 3.86 -0.79 -1.35 115.15 118.71 1k3y h HIS 159 Ca 0.01 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.06 1k3y h HIS 159 Cb 0.36 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 1k3y h HIS 159 CO 0.04 0.82 0.01 1.25 0.86 0.00 0.00 177.93 180.92 1k3y h LEU 160 N 0.68 0.18 -0.85 2.43 5.85 -1.12 -2.45 115.31 120.03 1k3y h LEU 160 Ca 0.12 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.47 1k3y h LEU 160 Cb 0.57 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1k3y h LEU 160 CO 0.04 0.41 -0.19 0.58 -0.34 0.00 0.00 178.44 178.93 1k3y h VAL 161 N -0.05 1.26 -0.45 1.05 2.07 -1.07 0.82 116.25 119.87 1k3y h VAL 161 Ca 0.03 -1.24 0.07 0.00 0.82 0.00 0.00 66.70 66.39 1k3y h VAL 161 Cb 0.30 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1k3y h VAL 161 CO 0.00 0.41 0.08 -0.08 0.02 0.00 0.00 177.57 178.00 1k3y h GLU 162 N 0.57 0.21 -0.52 1.57 4.81 -1.22 -1.78 114.58 118.22 1k3y h GLU 162 Ca 0.09 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1k3y h GLU 162 Cb 0.65 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1k3y h GLU 162 CO 0.05 0.14 0.13 1.25 -0.73 0.00 0.00 179.01 179.85 1k3y h LEU 163 N 0.22 0.73 -1.18 1.64 5.85 -0.81 -2.28 115.31 119.47 1k3y h LEU 163 Ca 0.22 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1k3y h LEU 163 Cb 0.28 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1k3y h LEU 163 CO -0.29 0.71 0.56 -0.07 -0.34 0.00 0.00 178.44 179.01 1k3y h LEU 164 N 0.76 0.95 -0.63 2.25 3.38 -0.05 -0.09 115.31 121.88 1k3y h LEU 164 Ca 0.17 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1k3y h LEU 164 Cb 0.27 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1k3y h LEU 164 CO -0.00 0.68 0.36 1.88 0.09 0.00 0.00 178.44 181.44 1k3y h TYR 165 N 1.11 0.85 -0.46 1.13 -1.99 -0.83 -0.65 116.97 116.14 1k3y h TYR 165 Ca 0.32 -0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.93 1k3y h TYR 165 Cb -0.09 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 38.35 1k3y h TYR 165 CO -0.00 0.60 -0.14 1.88 -0.00 0.00 0.00 178.16 180.50 1k3y h TYR 166 N 0.85 0.96 -0.72 4.88 0.05 -0.97 -2.33 116.97 119.70 1k3y h TYR 166 Ca 0.22 -0.19 -0.06 0.00 0.05 0.00 0.00 58.73 58.75 1k3y h TYR 166 Cb 0.02 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.49 1k3y h TYR 166 CO -0.01 0.94 0.22 0.28 -1.05 0.00 0.00 178.16 178.54 1k3y h VAL 167 N 0.77 1.26 -0.92 -2.88 2.07 -0.88 -2.16 116.25 113.51 1k3y h VAL 167 Ca 0.12 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.78 1k3y h VAL 167 Cb 0.66 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1k3y h VAL 167 CO 0.05 0.35 0.60 -0.08 0.02 0.00 0.00 177.57 178.51 1k3y h GLU 168 N 1.07 1.11 -0.35 1.57 4.81 -0.83 -0.45 114.58 121.52 1k3y h GLU 168 Ca 0.23 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1k3y h GLU 168 Cb 0.30 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1k3y h GLU 168 CO -0.01 0.74 0.02 0.93 -0.73 0.00 0.00 179.01 179.96 1k3y h GLU 169 N 1.14 0.53 -0.05 1.92 5.08 -0.93 -3.02 114.58 119.25 1k3y h GLU 169 Ca 0.37 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.51 1k3y h GLU 169 Cb 0.03 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.20 1k3y h GLU 169 CO -0.11 0.54 -0.42 -0.07 -1.00 0.00 0.00 179.01 177.94 1k3y h LEU 170 N 0.51 0.45 -6.00 1.33 3.38 -0.58 -3.45 115.31 110.95 1k3y h LEU 170 Ca 0.11 -0.70 0.15 0.00 0.09 0.00 0.00 57.88 57.54 1k3y h LEU 170 Cb 0.30 -0.14 -0.21 0.00 0.09 0.00 0.00 40.66 40.70 1k3y h LEU 170 CO 0.01 1.08 -0.11 -0.62 0.09 0.00 0.00 178.44 178.89 1k3y s ASP 171 N -6.53 -0.96 0.21 -0.43 -1.08 -0.31 -5.02 116.67 102.55 1k3y s ASP 171 Ca -0.14 0.45 0.19 0.00 -0.52 0.00 0.00 52.55 52.53 1k3y s ASP 171 Cb 0.04 1.74 0.88 0.00 -1.46 0.00 0.00 42.92 44.12 1k3y s ASP 171 CO 0.79 -0.18 1.58 -1.54 0.52 0.00 0.00 175.17 176.35 1k3y n SER 172 N 5.40 0.46 0.02 -0.34 3.41 -1.15 -2.10 113.62 119.32 1k3y n SER 172 Ca -0.01 0.65 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 1k3y n SER 172 Cb 0.53 -0.74 0.37 0.00 -0.26 0.00 0.00 64.21 64.12 1k3y n SER 172 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1k3y n SER 173 N -2.05 0.38 0.07 4.04 3.41 -1.26 -4.24 113.62 113.97 1k3y n SER 173 Ca 0.01 0.11 0.01 0.00 -0.26 0.00 0.00 58.87 58.74 1k3y n SER 173 Cb 0.14 -0.09 0.33 0.00 -0.26 0.00 0.00 64.21 64.33 1k3y n SER 173 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1k3y h LEU 174 N 0.00 0.33 -0.01 1.04 3.38 -1.77 -1.08 115.31 117.21 1k3y h LEU 174 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1k3y h LEU 174 Cb 0.55 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1k3y h LEU 174 CO 0.00 0.49 -0.00 0.00 0.09 0.00 0.00 178.44 179.02 1k3y n ILE 175 N -4.24 0.00 0.22 1.22 3.06 -1.26 -4.40 119.36 113.96 1k3y n ILE 175 Ca -0.00 -0.00 0.06 0.00 -2.50 0.00 0.00 62.75 60.31 1k3y n ILE 175 Cb 0.29 -0.48 0.55 0.00 0.54 0.00 0.00 39.64 40.53 1k3y n ILE 175 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 1k3y h SER 176 N 0.02 0.04 -0.52 9.51 4.64 -1.43 -0.97 113.55 124.83 1k3y h SER 176 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k3y h SER 176 Cb 0.23 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1k3y h SER 176 CO 0.00 0.13 0.00 -1.54 -0.87 0.00 0.00 176.83 174.55 1k3y n SER 177 N -4.41 4.31 -3.74 4.97 3.41 -1.26 -4.61 113.62 112.30 1k3y n SER 177 Ca -0.02 -2.49 -0.28 0.00 -0.26 0.00 0.00 58.87 55.82 1k3y n SER 177 Cb 0.18 -0.57 -0.11 0.00 -0.26 0.00 0.00 64.21 63.45 1k3y n SER 177 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1k3y n PHE 178 N 0.79 2.42 0.10 7.33 3.72 -0.37 -4.97 117.46 126.47 1k3y n PHE 178 Ca 0.22 -4.09 0.01 0.00 -0.05 0.00 0.00 57.45 53.54 1k3y n PHE 178 Cb 0.85 -0.45 0.35 0.00 -0.94 0.00 0.00 39.48 39.29 1k3y n PHE 178 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1k3y h PRO 179 N 5.26 0.28 -0.13 -1.08 0.13 -1.81 -2.05 132.00 132.60 1k3y h PRO 179 Ca 0.18 -0.07 -0.16 0.00 -0.87 0.00 0.00 66.00 65.07 1k3y h PRO 179 Cb 0.77 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 1k3y h PRO 179 CO 0.66 0.45 -0.61 -0.07 -0.23 0.00 0.00 178.00 178.20 1k3y h LEU 180 N 0.27 0.51 -0.78 1.56 3.38 -1.93 -1.11 115.31 117.20 1k3y h LEU 180 Ca 0.05 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 1k3y h LEU 180 Cb 0.44 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1k3y h LEU 180 CO 0.03 0.99 0.08 -0.07 0.09 0.00 0.00 178.44 179.57 1k3y h LEU 181 N 0.33 0.97 -0.52 1.67 3.38 -1.87 -0.42 115.31 118.85 1k3y h LEU 181 Ca -0.01 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.75 1k3y h LEU 181 Cb 1.15 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1k3y h LEU 181 CO 0.11 0.98 0.34 0.11 0.09 0.00 0.00 178.44 180.06 1k3y h LYS 182 N 0.95 0.66 -0.34 1.13 1.57 -1.14 -0.96 116.57 118.44 1k3y h LYS 182 Ca 0.19 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.80 1k3y h LYS 182 Cb 0.43 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1k3y h LYS 182 CO 0.01 0.44 -0.31 0.00 -0.57 0.00 0.00 179.45 179.02 1k3y h ALA 183 N 1.20 0.82 -0.43 3.86 0.00 -0.87 -2.17 119.26 121.68 1k3y h ALA 183 Ca 0.20 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1k3y h ALA 183 Cb -0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1k3y h ALA 183 CO -0.06 0.64 0.24 1.25 0.00 0.00 0.00 179.25 181.32 1k3y h LEU 184 N 0.62 0.54 -0.40 0.00 5.85 -0.80 -0.38 115.31 120.73 1k3y h LEU 184 Ca 0.07 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1k3y h LEU 184 Cb 0.83 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 1k3y h LEU 184 CO 0.07 0.48 0.12 0.50 -0.34 0.00 0.00 178.44 179.27 1k3y h LYS 185 N 0.56 0.26 -0.26 1.25 3.64 -0.94 0.42 116.57 121.50 1k3y h LYS 185 Ca 0.15 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1k3y h LYS 185 Cb 0.06 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1k3y h LYS 185 CO -0.02 0.17 0.01 1.15 -2.27 0.00 0.00 179.45 178.49 1k3y h THR 186 N 0.27 1.25 -0.05 1.00 2.02 -1.14 -1.86 112.91 114.40 1k3y h THR 186 Ca 0.19 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1k3y h THR 186 Cb 0.19 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1k3y h THR 186 CO -0.21 0.28 0.03 0.03 0.37 0.00 0.00 175.52 176.02 1k3y h ARG 187 N 0.25 0.06 -0.66 6.66 3.08 -0.62 -2.17 114.38 120.98 1k3y h ARG 187 Ca 0.08 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 1k3y h ARG 187 Cb 0.40 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 1k3y h ARG 187 CO 0.01 0.04 0.22 0.82 -1.07 0.00 0.00 179.97 179.99 1k3y h ILE 188 N 0.06 1.24 0.00 2.04 1.08 -0.92 -2.00 117.51 119.01 1k3y h ILE 188 Ca 0.02 -0.82 0.00 0.00 -0.39 0.00 0.00 64.86 63.67 1k3y h ILE 188 Cb -0.01 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 1k3y h ILE 188 CO -0.00 0.32 0.00 0.28 -0.69 0.00 0.00 178.15 178.06 1k3y h SER 189 N 0.97 0.00 -0.03 1.72 0.02 -1.10 -2.34 113.55 112.79 1k3y h SER 189 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1k3y h SER 189 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1k3y h SER 189 CO -0.01 0.00 -0.00 0.59 -1.14 0.00 0.00 176.83 176.27 1k3y n ASN 190 N -2.94 2.89 -4.75 3.07 3.02 -0.77 -3.23 115.26 112.56 1k3y n ASN 190 Ca 0.00 -1.96 -0.41 0.00 -0.03 0.00 0.00 54.58 52.18 1k3y n ASN 190 Cb 0.25 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.40 1k3y n ASN 190 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k3y s LEU 191 N -2.00 4.36 0.28 3.41 1.43 -0.88 -4.78 118.68 120.50 1k3y s LEU 191 Ca 0.29 2.83 0.01 0.00 -1.03 0.00 0.00 54.13 56.23 1k3y s LEU 191 Cb 0.20 -3.63 0.65 0.00 0.03 0.00 0.00 46.19 43.45 1k3y s LEU 191 CO 0.30 -0.83 1.70 -0.65 0.23 0.00 0.00 176.35 177.10 1k3y h PRO 192 N 5.04 0.37 -0.39 1.29 0.11 -1.90 0.84 132.00 137.36 1k3y h PRO 192 Ca -0.46 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 1k3y h PRO 192 Cb 1.22 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1k3y h PRO 192 CO 0.80 0.24 -0.33 1.79 -0.21 0.00 0.00 178.00 180.29 1k3y h THR 193 N 0.38 1.28 -0.17 -1.15 1.35 -1.87 -1.34 112.91 111.38 1k3y h THR 193 Ca 0.52 -1.49 -0.20 0.00 -0.55 0.00 0.00 66.41 64.69 1k3y h THR 193 Cb 0.95 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1k3y h THR 193 CO -0.52 0.50 -0.68 0.58 -0.25 0.00 0.00 175.52 175.15 1k3y h VAL 194 N 0.73 1.30 -0.94 6.82 2.07 -1.55 -2.33 116.25 122.36 1k3y h VAL 194 Ca 0.07 -1.92 0.04 0.00 0.82 0.00 0.00 66.70 65.72 1k3y h VAL 194 Cb 0.89 1.89 -0.06 0.00 -1.52 0.00 0.00 31.29 32.49 1k3y h VAL 194 CO 0.08 0.60 0.60 0.50 0.02 0.00 0.00 177.57 179.38 1k3y h LYS 195 N 0.50 1.11 -0.47 1.57 3.64 -0.77 0.39 116.57 122.54 1k3y h LYS 195 Ca -0.02 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.16 1k3y h LYS 195 Cb 1.28 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1k3y h LYS 195 CO 0.14 0.74 -0.22 -0.22 -2.27 0.00 0.00 179.45 177.61 1k3y h LYS 196 N 1.15 0.96 -0.34 1.90 3.64 -1.11 -2.38 116.57 120.39 1k3y h LYS 196 Ca 0.38 -0.41 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1k3y h LYS 196 Cb 0.06 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1k3y h LYS 196 CO -0.14 1.08 0.03 0.35 -2.27 0.00 0.00 179.45 178.50 1k3y h PHE 197 N 0.83 0.52 0.00 1.91 3.57 -0.78 -2.70 116.94 120.28 1k3y h PHE 197 Ca 0.11 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1k3y h PHE 197 Cb 0.79 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1k3y h PHE 197 CO 0.05 0.49 0.00 -0.07 -2.23 0.00 0.00 178.31 176.55 1k3y h LEU 198 N 0.49 0.00-10.23 0.59 3.38 -0.62 -3.40 115.31 105.52 1k3y h LEU 198 Ca 0.11 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.58 1k3y h LEU 198 Cb 0.27 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.12 1k3y h LEU 198 CO 0.00 0.00 0.37 -1.10 0.09 0.00 0.00 178.44 177.80 1k3y s GLN 199 N -3.19 2.88 0.55 1.13 -0.21 -0.92 -4.96 119.66 114.94 1k3y s GLN 199 Ca 0.08 1.25 -0.20 0.00 0.02 0.00 0.00 55.36 56.51 1k3y s GLN 199 Cb 0.10 -1.97 -0.07 0.00 1.00 0.00 0.00 33.01 32.07 1k3y s GLN 199 CO 0.58 -1.16 0.96 -2.30 -2.12 0.00 0.00 175.29 171.25 1k3y n PRO 200 N -2.55 1.04 -0.49 2.91 -0.02 -1.26 -2.92 135.00 131.70 1k3y n PRO 200 Ca 0.09 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1k3y n PRO 200 Cb 0.53 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1k3y n PRO 200 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k3y n GLY 201 N 1.27 1.40 3.77 -1.23 0.00 -1.26 -5.04 105.19 104.10 1k3y n GLY 201 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1k3y n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k3y s SER 202 N -3.20 2.71 0.00 1.61 1.04 -1.15 -4.93 113.70 109.79 1k3y s SER 202 Ca 0.00 0.70 0.16 0.00 0.48 0.00 0.00 55.95 57.28 1k3y s SER 202 Cb 0.00 -1.05 0.82 0.00 0.10 0.00 0.00 66.02 65.89 1k3y s SER 202 CO 0.00 -3.02 1.43 -2.65 0.98 0.00 0.00 173.24 169.98 1k3y n PRO 203 N -4.03 0.27 -1.71 4.02 -0.02 -1.26 -4.83 135.00 127.44 1k3y n PRO 203 Ca 0.10 0.12 -0.43 0.00 -2.02 0.00 0.00 63.50 61.28 1k3y n PRO 203 Cb 0.59 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.56 1k3y n PRO 203 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1k3y n ARG 204 N -1.24 2.22 -4.00 -0.52 0.63 -1.26 -4.98 116.66 107.52 1k3y n ARG 204 Ca 0.08 0.78 -0.30 0.00 -0.92 0.00 0.00 57.85 57.49 1k3y n ARG 204 Cb 0.11 -2.41 -0.05 0.00 0.45 0.00 0.00 32.46 30.56 1k3y n ARG 204 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1k3y s LYS 205 N -1.60 3.12 0.81 -0.14 -0.14 -1.26 -5.01 119.74 115.52 1k3y s LYS 205 Ca 0.58 -0.59 -0.12 0.00 -1.36 0.00 0.00 55.97 54.48 1k3y s LYS 205 Cb -0.56 -2.86 0.09 0.00 -1.68 0.00 0.00 37.83 32.81 1k3y s LYS 205 CO 0.60 0.58 1.17 -1.25 -0.76 0.00 0.00 175.35 175.69 1k3y s PRO 206 N -2.48 1.90 0.51 -1.68 0.04 -1.26 -4.86 135.00 127.17 1k3y s PRO 206 Ca 0.32 0.04 -0.22 0.00 0.04 0.00 0.00 61.00 61.17 1k3y s PRO 206 Cb -0.12 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 1k3y s PRO 206 CO 0.25 -1.61 1.20 -2.30 0.04 0.00 0.00 177.00 174.57 1k3y n PRO 207 N -3.30 1.54 -2.22 0.56 -0.02 -1.26 -4.44 135.00 125.86 1k3y n PRO 207 Ca 0.08 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 1k3y n PRO 207 Cb 0.61 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 1k3y n PRO 207 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1k3y s MET 208 N -2.54 4.29 0.59 -0.52 1.75 -1.26 -5.02 119.30 116.59 1k3y s MET 208 Ca 0.68 1.98 0.09 0.00 -1.25 0.00 0.00 55.69 57.19 1k3y s MET 208 Cb -0.46 -3.55 0.10 0.00 2.84 0.00 0.00 34.83 33.76 1k3y s MET 208 CO 0.52 -0.56 0.82 0.16 -0.65 0.00 0.00 175.02 175.31 1k3y s ASP 209 N 1.82 5.01 0.31 1.11 3.84 -1.26 -4.92 116.67 122.58 1k3y s ASP 209 Ca 0.64 -0.85 0.05 0.00 -0.00 0.00 0.00 52.55 52.39 1k3y s ASP 209 Cb -0.32 0.35 0.53 0.00 -1.38 0.00 0.00 42.92 42.10 1k3y s ASP 209 CO 0.27 -1.42 1.78 -0.33 -0.00 0.00 0.00 175.17 175.47 1k3y h GLU 210 N 0.10 0.38 -0.68 2.11 4.39 -1.99 -1.24 114.58 117.66 1k3y h GLU 210 Ca -0.29 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.26 1k3y h GLU 210 Cb 1.29 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.87 1k3y h GLU 210 CO 0.40 0.59 0.37 0.87 -1.16 0.00 0.00 179.01 180.08 1k3y h LYS 211 N 0.35 0.95 -0.51 2.33 1.57 -1.99 0.03 116.57 119.29 1k3y h LYS 211 Ca 0.06 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1k3y h LYS 211 Cb 0.59 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1k3y h LYS 211 CO 0.04 0.72 -0.05 1.03 -0.57 0.00 0.00 179.45 180.62 1k3y h SER 212 N 0.93 0.88 -0.72 0.86 0.87 -1.84 -0.88 113.55 113.65 1k3y h SER 212 Ca 0.24 -0.25 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 1k3y h SER 212 Cb 0.05 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.74 1k3y h SER 212 CO -0.04 0.97 0.19 0.25 -0.53 0.00 0.00 176.83 177.67 1k3y h LEU 213 N 0.82 1.08 -0.77 2.23 5.85 -0.88 -0.82 115.31 122.82 1k3y h LEU 213 Ca 0.15 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1k3y h LEU 213 Cb 0.56 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1k3y h LEU 213 CO 0.03 1.03 0.51 -0.08 -0.34 0.00 0.00 178.44 179.59 1k3y h GLU 214 N 1.09 1.01 -0.55 1.25 4.81 -0.66 -0.83 114.58 120.69 1k3y h GLU 214 Ca 0.23 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1k3y h GLU 214 Cb 0.36 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1k3y h GLU 214 CO 0.00 0.67 0.04 1.49 -0.73 0.00 0.00 179.01 180.48 1k3y h GLU 215 N 1.04 0.92 -0.47 1.92 4.81 -0.51 -2.24 114.58 120.04 1k3y h GLU 215 Ca 0.28 -0.25 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1k3y h GLU 215 Cb -0.11 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 1k3y h GLU 215 CO -0.07 0.88 0.27 0.00 -0.73 0.00 0.00 179.01 179.36 1k3y h ALA 216 N 1.18 0.60 -0.93 2.92 0.00 -0.55 0.01 119.26 122.50 1k3y h ALA 216 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1k3y h ALA 216 Cb 0.45 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1k3y h ALA 216 CO 0.02 -0.06 0.57 0.00 0.00 0.00 0.00 179.25 179.78 1k3y h ARG 217 N 0.53 1.25 -0.13 0.00 3.08 -0.90 0.41 114.38 118.62 1k3y h ARG 217 Ca 0.20 -0.11 -0.20 0.00 0.07 0.00 0.00 59.98 59.94 1k3y h ARG 217 Cb 0.05 -0.27 0.01 0.00 0.08 0.00 0.00 29.97 29.84 1k3y h ARG 217 CO -0.11 0.87 -0.70 0.87 -1.07 0.00 0.00 179.97 179.82 1k3y h LYS 218 N 1.27 0.71 -0.25 0.04 1.57 -0.97 -0.31 116.57 118.63 1k3y h LYS 218 Ca 0.33 -0.59 -0.06 0.00 -1.87 0.00 0.00 60.65 58.47 1k3y h LYS 218 Cb -0.07 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1k3y h LYS 218 CO -0.06 1.20 -0.07 0.82 -0.57 0.00 0.00 179.45 180.77 1k3y h ILE 219 N 0.41 1.29 -0.24 1.86 2.04 -0.77 -3.30 117.51 118.79 1k3y h ILE 219 Ca -0.05 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.72 1k3y h ILE 219 Cb 1.34 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 1k3y h ILE 219 CO 0.15 0.34 0.00 0.49 0.00 0.00 0.00 178.15 179.12 1k3y n PHE 220 N -4.54 0.29 -3.35 1.37 3.72 0.12 -4.26 117.46 110.80 1k3y n PHE 220 Ca -0.04 -0.14 -0.14 0.00 -0.05 0.00 0.00 57.45 57.07 1k3y n PHE 220 Cb 0.31 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.87 1k3y n PHE 220 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1k3y n ARG 221 N 1.34 -1.57 0.00 -1.08 1.74 -0.17 -5.02 116.66 111.91 1k3y n ARG 221 Ca 0.17 1.00 0.00 0.00 -0.77 0.00 0.00 57.85 58.25 1k3y n ARG 221 Cb 0.58 -4.98 0.00 0.00 -1.02 0.00 0.00 32.46 27.05 1k3y n ARG 221 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08