#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy n LYS 2 N 0.00 0.00 0.00 0.03 2.85 -1.26 -4.92 118.16 114.86 3kiy n LYS 2 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3kiy n LYS 2 Cb 0.00 -0.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.88 3kiy n LYS 2 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 3kiy n GLU 3 N 0.50 0.00 -3.94 -1.58 0.28 -1.26 -4.24 120.64 110.40 3kiy n GLU 3 Ca 0.07 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.75 3kiy n GLU 3 Cb 0.03 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.76 3kiy n GLU 3 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3kiy s VAL 4 N 0.00 2.64 0.00 3.84 1.01 -1.26 -3.64 120.40 122.99 3kiy s VAL 4 Ca 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 61.98 59.06 3kiy s VAL 4 Cb 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.53 3kiy s VAL 4 CO 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 175.10 174.36 3kiy n ALA 5 N 3.58 0.00 -3.71 5.51 0.00 -1.13 -5.00 120.51 119.76 3kiy n ALA 5 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.23 3kiy n ALA 5 Cb 0.36 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.64 3kiy n ALA 5 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kiy s VAL 6 N -0.28 0.32 1.31 0.00 1.01 -1.26 -4.56 120.40 116.94 3kiy s VAL 6 Ca 0.00 -0.28 -0.20 0.00 0.00 0.00 0.00 61.98 61.50 3kiy s VAL 6 Cb 0.00 -0.78 0.31 0.00 0.00 0.00 0.00 36.38 35.91 3kiy s VAL 6 CO 0.00 -0.11 0.71 0.00 0.00 0.00 0.00 175.10 175.69 3kiy n TYR 7 N 5.13 -3.25 -3.15 5.22 9.36 -1.22 -3.23 117.16 126.02 3kiy n TYR 7 Ca -0.08 -0.52 0.03 0.00 3.32 0.00 0.00 57.90 60.65 3kiy n TYR 7 Cb 0.48 -1.36 -0.00 0.00 -0.63 0.00 0.00 39.34 37.83 3kiy n TYR 7 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 3kiy s GLN 8 N -4.50 0.58 0.00 2.98 2.00 -1.25 -4.54 119.66 114.93 3kiy s GLN 8 Ca 0.56 0.24 0.00 0.00 -2.00 0.00 0.00 55.36 54.16 3kiy s GLN 8 Cb -0.10 0.18 0.00 0.00 0.80 0.00 0.00 33.01 33.88 3kiy s GLN 8 CO 0.47 -0.98 0.00 -0.89 -0.50 0.00 0.00 175.29 173.40 3kiy n ILE 9 N 5.01 0.00 -0.06 -2.34 5.41 -1.24 -3.83 119.36 122.31 3kiy n ILE 9 Ca 0.07 0.00 0.25 0.00 1.00 0.00 0.00 62.75 64.07 3kiy n ILE 9 Cb 0.56 0.00 0.72 0.00 -0.71 0.00 0.00 39.64 40.21 3kiy n ILE 9 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3kiy h PRO 10 N 0.00 0.00 0.00 0.38 0.11 -1.91 -3.38 132.00 127.20 3kiy h PRO 10 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3kiy h PRO 10 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3kiy h PRO 10 CO 0.00 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.07 3kiy n VAL 11 N -4.03 0.00 -0.08 3.15 0.31 -1.26 -4.27 118.33 112.15 3kiy n VAL 11 Ca 0.14 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.35 3kiy n VAL 11 Cb 0.82 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.67 3kiy n VAL 11 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3kiy n LEU 12 N 0.00 2.87 -4.34 7.52 4.77 -1.26 -5.00 117.00 121.56 3kiy n LEU 12 Ca 0.00 -0.09 -0.62 0.00 -0.03 0.00 0.00 56.01 55.27 3kiy n LEU 12 Cb 0.00 -0.56 -0.10 0.00 -2.33 0.00 0.00 43.42 40.43 3kiy n LEU 12 CO 0.00 0.77 1.23 -1.54 -1.33 0.00 0.00 177.39 176.52 3kiy n SER 13 N -2.98 1.02 -4.10 -1.43 3.41 -1.26 -4.82 113.62 103.47 3kiy n SER 13 Ca -0.30 0.99 -0.37 0.00 -0.26 0.00 0.00 58.87 58.93 3kiy n SER 13 Cb 0.83 -0.83 0.03 0.00 -0.26 0.00 0.00 64.21 63.97 3kiy n SER 13 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3kiy n PRO 14 N 4.68 0.00 -1.55 4.33 -0.02 -1.26 -3.62 135.00 137.56 3kiy n PRO 14 Ca 0.35 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.60 3kiy n PRO 14 Cb -0.05 -1.04 -0.06 0.00 -0.02 0.00 0.00 33.50 32.33 3kiy n PRO 14 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3kiy n SER 15 N 2.97 1.99 -1.20 2.55 7.64 -1.26 -4.23 113.62 122.08 3kiy n SER 15 Ca 0.02 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.84 3kiy n SER 15 Cb 0.53 -1.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 3kiy n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kiy n GLY 16 N 6.45 -3.23 2.69 0.23 0.00 -1.26 -4.71 105.19 105.36 3kiy n GLY 16 Ca 0.43 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 3kiy n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kiy n ARG 17 N 0.00 1.17 -1.41 1.61 1.74 -1.26 -3.44 116.66 115.07 3kiy n ARG 17 Ca 0.00 -2.08 -0.37 0.00 -0.77 0.00 0.00 57.85 54.63 3kiy n ARG 17 Cb 0.00 -0.36 0.06 0.00 -1.02 0.00 0.00 32.46 31.14 3kiy n ARG 17 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3kiy n ARG 18 N -0.40 0.50 -3.50 5.56 0.63 -1.26 -4.64 116.66 113.55 3kiy n ARG 18 Ca 0.00 0.21 -0.09 0.00 -0.92 0.00 0.00 57.85 57.05 3kiy n ARG 18 Cb 0.83 -1.90 -0.02 0.00 0.45 0.00 0.00 32.46 31.81 3kiy n ARG 18 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 3kiy s GLU 19 N -2.61 0.87 0.06 -0.14 -1.05 -1.26 -2.82 118.70 111.75 3kiy s GLU 19 Ca 0.70 -0.28 -0.00 0.00 -0.15 0.00 0.00 54.97 55.23 3kiy s GLU 19 Cb -0.39 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 33.70 3kiy s GLU 19 CO 0.54 -0.37 0.08 1.28 0.95 0.00 0.00 175.26 177.73 3kiy n LEU 20 N -0.16 0.00 0.00 1.83 4.77 -1.24 -4.96 117.00 117.24 3kiy n LEU 20 Ca -0.10 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 3kiy n LEU 20 Cb 0.62 0.41 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 3kiy n LEU 20 CO 0.12 -0.10 0.00 0.00 -1.33 0.00 0.00 177.39 176.07 3kiy n ALA 21 N -2.64 0.00 0.03 -1.18 0.00 -1.26 -4.28 120.51 111.18 3kiy n ALA 21 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3kiy n ALA 21 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 3kiy n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kiy n ALA 22 N -2.79 1.52 1.45 0.00 0.00 -1.26 -1.05 120.51 118.38 3kiy n ALA 22 Ca 0.00 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3kiy n ALA 22 Cb 0.00 -1.00 0.69 0.00 0.00 0.00 0.00 19.45 19.14 3kiy n ALA 22 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kiy n ASP 23 N -0.58 0.00 -0.81 0.00 8.00 -1.26 -3.34 116.55 118.55 3kiy n ASP 23 Ca 0.00 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.80 3kiy n ASP 23 Cb 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 3kiy n ASP 23 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kiy n LEU 24 N -1.02 0.00 -3.16 0.64 7.99 -0.21 -3.78 117.00 117.47 3kiy n LEU 24 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.17 3kiy n LEU 24 Cb 0.09 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 3kiy n LEU 24 CO 0.13 -0.05 0.64 -0.81 -1.51 0.00 0.00 177.39 175.80 3kiy n PRO 25 N -0.10 0.00 0.18 3.23 -0.04 -1.26 -4.53 135.00 132.48 3kiy n PRO 25 Ca 0.00 -0.32 -0.13 0.00 -0.04 0.00 0.00 63.50 63.01 3kiy n PRO 25 Cb 0.00 -1.64 -0.07 0.00 -0.04 0.00 0.00 33.50 31.75 3kiy n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kiy h ALA 26 N 6.90 -1.01 0.00 0.55 0.00 -1.85 -3.47 119.26 120.38 3kiy h ALA 26 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kiy h ALA 26 Cb 0.00 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3kiy h ALA 26 CO 0.64 -1.05 0.00 0.39 0.00 0.00 0.00 179.25 179.23 3kiy n GLU 27 N -4.71 0.00 -2.50 0.00 1.02 -1.26 -5.07 120.64 108.12 3kiy n GLU 27 Ca -0.08 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.68 3kiy n GLU 27 Cb 0.34 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.72 3kiy n GLU 27 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3kiy s ILE 28 N 0.00 3.58 -0.86 -3.67 -0.00 -1.26 -4.99 121.20 114.00 3kiy s ILE 28 Ca 0.00 1.37 0.00 0.00 -0.00 0.00 0.00 60.65 62.03 3kiy s ILE 28 Cb 0.00 -3.79 0.23 0.00 -0.00 0.00 0.00 42.46 38.90 3kiy s ILE 28 CO 0.00 0.17 0.85 -3.20 -0.00 0.00 0.00 174.94 172.76 3kiy n ASN 29 N 0.47 4.33 -0.16 4.36 2.85 -1.26 -4.97 115.26 120.89 3kiy n ASN 29 Ca 0.02 -3.25 -0.03 0.00 -0.11 0.00 0.00 54.58 51.22 3kiy n ASN 29 Cb 0.47 -0.98 -0.02 0.00 1.24 0.00 0.00 39.78 40.49 3kiy n ASN 29 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3kiy n PRO 30 N 1.82 -0.15 -0.11 1.20 -0.02 -1.26 0.24 135.00 136.72 3kiy n PRO 30 Ca 0.24 0.59 -0.05 0.00 -2.02 0.00 0.00 63.50 62.26 3kiy n PRO 30 Cb 0.37 -0.87 0.01 0.00 -0.02 0.00 0.00 33.50 32.99 3kiy n PRO 30 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3kiy h HIS 31 N 0.00 -0.25 -0.38 6.00 -0.00 -2.00 -2.21 115.15 116.32 3kiy h HIS 31 Ca 0.08 0.04 0.08 0.00 -0.00 0.00 0.00 60.37 60.56 3kiy h HIS 31 Cb 0.18 0.17 -0.07 0.00 -0.00 0.00 0.00 27.41 27.68 3kiy h HIS 31 CO -0.38 -0.18 -0.10 1.25 -0.00 0.00 0.00 177.93 178.51 3kiy h LEU 32 N -0.02 -0.38 -0.56 0.26 6.46 -0.64 0.10 115.31 120.53 3kiy h LEU 32 Ca 0.19 0.12 0.11 0.00 -0.12 0.00 0.00 57.88 58.18 3kiy h LEU 32 Cb 0.30 0.25 -0.10 0.00 -0.73 0.00 0.00 40.66 40.38 3kiy h LEU 32 CO -0.41 -0.14 -0.09 -0.07 -0.62 0.00 0.00 178.44 177.12 3kiy h LEU 33 N -0.01 -0.43 0.10 2.25 4.07 -1.19 -0.65 115.31 119.46 3kiy h LEU 33 Ca 0.18 0.16 0.02 0.00 0.08 0.00 0.00 57.88 58.32 3kiy h LEU 33 Cb 0.29 0.31 -0.05 0.00 1.08 0.00 0.00 40.66 42.30 3kiy h LEU 33 CO -0.40 -0.16 -0.46 -0.25 -1.08 0.00 0.00 178.44 176.10 3kiy h TRP 34 N 0.04 -1.30 -1.03 1.13 7.01 -0.57 -0.82 115.95 120.41 3kiy h TRP 34 Ca 0.28 0.03 0.26 0.00 2.11 0.00 0.00 58.89 61.57 3kiy h TRP 34 Cb 0.43 0.55 -0.10 0.00 -2.10 0.00 0.00 29.16 27.94 3kiy h TRP 34 CO -0.42 -0.54 0.65 0.93 -2.79 0.00 0.00 178.44 176.26 3kiy h GLU 35 N -0.68 0.45 -0.10 2.65 5.08 0.16 0.21 114.58 122.35 3kiy h GLU 35 Ca 0.02 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 3kiy h GLU 35 Cb 0.71 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.86 3kiy h GLU 35 CO -0.27 0.30 -0.43 0.28 -1.00 0.00 0.00 179.01 177.89 3kiy h VAL 36 N 0.46 1.38 -0.51 3.13 2.07 -0.14 -2.36 116.25 120.29 3kiy h VAL 36 Ca 0.60 -1.77 -0.08 0.00 0.82 0.00 0.00 66.70 66.27 3kiy h VAL 36 Cb 1.39 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 33.35 3kiy h VAL 36 CO -0.34 0.53 -0.01 0.58 0.02 0.00 0.00 177.57 178.34 3kiy h VAL 37 N 0.04 1.26 -0.40 2.57 2.07 -0.18 0.54 116.25 122.16 3kiy h VAL 37 Ca -0.03 -1.10 0.08 0.00 0.82 0.00 0.00 66.70 66.48 3kiy h VAL 37 Cb 1.07 0.96 -0.09 0.00 -1.52 0.00 0.00 31.29 31.71 3kiy h VAL 37 CO 0.09 0.39 -0.19 -0.09 0.02 0.00 0.00 177.57 177.78 3kiy h ARG 38 N 0.77 -0.11 0.34 1.57 2.43 -0.63 0.31 114.38 119.06 3kiy h ARG 38 Ca 0.14 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3kiy h ARG 38 Cb 0.53 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 3kiy h ARG 38 CO 0.03 -0.08 -0.42 2.35 -1.51 0.00 0.00 179.97 180.34 3kiy h TRP 39 N -0.12 -1.15 -0.65 2.20 7.01 -0.94 0.25 115.95 122.55 3kiy h TRP 39 Ca 0.20 0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.33 3kiy h TRP 39 Cb 0.42 0.46 -0.08 0.00 -2.10 0.00 0.00 29.16 27.86 3kiy h TRP 39 CO -0.43 -0.56 0.22 1.96 -2.79 0.00 0.00 178.44 176.84 3kiy h GLN 40 N -0.80 0.36 0.00 2.65 4.20 -0.18 0.45 115.11 121.80 3kiy h GLN 40 Ca -0.02 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.59 3kiy h GLN 40 Cb 0.73 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 3kiy h GLN 40 CO -0.11 0.24 -0.38 -0.07 -0.67 0.00 0.00 178.83 177.84 3kiy h LEU 41 N 0.38 0.00 0.07 1.46 3.38 -0.01 -2.30 115.31 118.29 3kiy h LEU 41 Ca 0.34 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.09 3kiy h LEU 41 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3kiy h LEU 41 CO -0.37 0.38 -1.17 0.00 0.09 0.00 0.00 178.44 177.37 3kiy h ALA 42 N 1.62 0.18 0.00 1.53 0.00 0.68 -3.28 119.26 120.00 3kiy h ALA 42 Ca -0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 54.91 53.85 3kiy h ALA 42 Cb 0.85 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 3kiy h ALA 42 CO 0.05 0.68 -0.10 1.57 0.00 0.00 0.00 179.25 181.45 3kiy h LYS 43 N -0.58 0.00 0.00 0.00 2.10 -0.22 -0.42 116.57 117.44 3kiy h LYS 43 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 3kiy h LYS 43 Cb 1.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.86 3kiy h LYS 43 CO -0.02 0.10 0.00 2.89 -2.00 0.00 0.00 179.45 180.42 3kiy n ARG 44 N -4.03 0.07 -1.72 0.07 1.85 -0.86 -4.66 116.66 107.37 3kiy n ARG 44 Ca -0.02 0.13 -0.38 0.00 -1.00 0.00 0.00 57.85 56.58 3kiy n ARG 44 Cb 0.18 -1.59 0.05 0.00 -1.05 0.00 0.00 32.46 30.05 3kiy n ARG 44 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3kiy n ARG 45 N -1.72 1.43 0.01 2.89 1.74 -0.17 -4.96 116.66 115.89 3kiy n ARG 45 Ca 0.06 0.54 -0.21 0.00 -0.77 0.00 0.00 57.85 57.46 3kiy n ARG 45 Cb 0.31 -2.50 -0.14 0.00 -1.02 0.00 0.00 32.46 29.11 3kiy n ARG 45 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3kiy h ARG 46 N 1.08 0.25 -6.20 5.56 9.65 -1.90 -3.45 114.38 119.37 3kiy h ARG 46 Ca -0.50 -0.43 -0.29 0.00 -1.10 0.00 0.00 59.98 57.66 3kiy h ARG 46 Cb 1.32 0.16 0.01 0.00 -1.39 0.00 0.00 29.97 30.07 3kiy h ARG 46 CO 0.55 1.21 -0.84 0.41 2.80 0.00 0.00 179.97 184.10 3kiy n GLY 47 N 1.72 -0.84 2.65 2.80 0.00 -1.26 -4.90 105.19 105.37 3kiy n GLY 47 Ca -0.23 0.87 -0.06 0.00 0.00 0.00 0.00 46.02 46.60 3kiy n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kiy n THR 48 N -1.32 1.53 -3.17 2.61 -2.24 -1.26 -3.19 114.28 107.23 3kiy n THR 48 Ca -0.12 -3.24 -0.43 0.00 -2.27 0.00 0.00 64.05 57.99 3kiy n THR 48 Cb 0.62 0.69 -0.07 0.00 -2.10 0.00 0.00 70.33 69.47 3kiy n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kiy s ALA 49 N -3.70 3.40 0.29 6.98 0.00 -1.26 -4.89 121.76 122.58 3kiy s ALA 49 Ca 0.32 -1.19 0.10 0.00 0.00 0.00 0.00 51.96 51.19 3kiy s ALA 49 Cb 0.35 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 3kiy s ALA 49 CO -0.02 -1.59 -0.00 0.45 0.00 0.00 0.00 175.76 174.60 3kiy s SER 50 N 1.90 4.38 0.36 0.00 0.15 -1.26 -2.57 113.70 116.66 3kiy s SER 50 Ca 0.20 -0.77 -0.09 0.00 0.70 0.00 0.00 55.95 55.99 3kiy s SER 50 Cb -0.15 -0.71 0.02 0.00 -1.71 0.00 0.00 66.02 63.48 3kiy s SER 50 CO 0.16 -0.08 0.61 0.42 1.20 0.00 0.00 173.24 175.56 3kiy s THR 51 N -2.40 0.00 -0.17 6.45 -4.23 -0.96 -4.89 115.64 109.44 3kiy s THR 51 Ca 0.33 -1.33 0.01 0.00 -1.18 0.00 0.00 61.69 59.52 3kiy s THR 51 Cb -0.05 -2.71 0.02 0.00 1.34 0.00 0.00 72.50 71.10 3kiy s THR 51 CO 0.20 0.00 -0.19 -0.54 -0.54 0.00 0.00 174.62 173.54 3kiy s LYS 52 N -2.78 2.87 0.92 3.99 1.02 -1.26 -4.96 119.74 119.54 3kiy s LYS 52 Ca 0.23 -0.79 -0.11 0.00 0.02 0.00 0.00 55.97 55.33 3kiy s LYS 52 Cb -0.03 -2.47 0.14 0.00 -0.52 0.00 0.00 37.83 34.96 3kiy s LYS 52 CO 0.16 -0.19 1.10 0.95 -0.92 0.00 0.00 175.35 176.45 3kiy s THR 53 N 1.25 2.52 -1.85 2.17 -4.23 -1.26 -1.18 115.64 113.07 3kiy s THR 53 Ca 0.03 0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 3kiy s THR 53 Cb -0.13 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.25 3kiy s THR 53 CO -0.11 -0.22 0.22 -2.11 -0.54 0.00 0.00 174.62 171.86 3kiy n ARG 54 N -4.08 0.00 -0.01 3.99 1.85 -1.26 -0.12 116.66 117.03 3kiy n ARG 54 Ca 0.08 0.00 0.01 0.00 -1.00 0.00 0.00 57.85 56.94 3kiy n ARG 54 Cb 0.54 -1.24 0.01 0.00 -1.05 0.00 0.00 32.46 30.72 3kiy n ARG 54 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kiy n GLY 55 N -0.70 1.20 0.02 2.89 0.00 -1.26 -4.51 105.19 102.83 3kiy n GLY 55 Ca 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.02 3kiy n GLY 55 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kiy n GLU 56 N -0.20 3.96 -2.35 1.61 1.02 0.83 -5.00 120.64 120.51 3kiy n GLU 56 Ca 0.01 -0.06 -0.39 0.00 -0.02 0.00 0.00 57.16 56.71 3kiy n GLU 56 Cb 0.17 -0.92 -0.03 0.00 -0.02 0.00 0.00 31.44 30.65 3kiy n GLU 56 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kiy s VAL 57 N -1.76 3.26 0.01 2.62 1.01 -1.21 -4.94 120.40 119.39 3kiy s VAL 57 Ca 0.04 1.09 -0.03 0.00 0.00 0.00 0.00 61.98 63.08 3kiy s VAL 57 Cb 0.07 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 3kiy s VAL 57 CO 0.34 0.14 1.05 0.00 0.00 0.00 0.00 175.10 176.63 3kiy h ALA 58 N 2.90 -0.34 0.00 5.51 0.00 -1.96 -3.46 119.26 121.91 3kiy h ALA 58 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3kiy h ALA 58 Cb 1.23 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3kiy h ALA 58 CO 0.63 -0.37 0.00 0.66 0.00 0.00 0.00 179.25 180.18 3kiy n TYR 59 N -2.95 0.00 -0.64 0.00 0.53 -1.26 -4.95 117.16 107.89 3kiy n TYR 59 Ca -0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 57.90 56.74 3kiy n TYR 59 Cb 0.03 0.00 0.12 0.00 -1.03 0.00 0.00 39.34 38.46 3kiy n TYR 59 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 3kiy n SER 60 N 0.00 -1.77 -0.13 7.72 2.88 -1.26 -4.98 113.62 116.08 3kiy n SER 60 Ca 0.00 -0.74 0.05 0.00 -1.33 0.00 0.00 58.87 56.85 3kiy n SER 60 Cb 0.00 -0.47 0.06 0.00 -0.75 0.00 0.00 64.21 63.06 3kiy n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kiy n GLY 61 N -1.20 2.77 3.81 0.46 0.00 -1.26 -4.68 105.19 105.09 3kiy n GLY 61 Ca 0.07 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 3kiy n GLY 61 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kiy s ARG 62 N -1.57 2.11 -0.38 1.61 3.52 -1.26 -4.69 118.95 118.30 3kiy s ARG 62 Ca 0.15 0.60 -0.19 0.00 -0.13 0.00 0.00 55.73 56.16 3kiy s ARG 62 Cb 0.13 -1.92 0.01 0.00 -1.56 0.00 0.00 34.95 31.60 3kiy s ARG 62 CO 0.01 -1.59 0.57 0.21 -0.81 0.00 0.00 175.30 173.69 3kiy s LYS 63 N -5.19 3.49 0.24 5.12 2.20 -1.26 -3.44 119.74 120.90 3kiy s LYS 63 Ca 0.61 -0.23 -0.06 0.00 -0.36 0.00 0.00 55.97 55.93 3kiy s LYS 63 Cb -0.14 -3.86 0.43 0.00 -1.51 0.00 0.00 37.83 32.75 3kiy s LYS 63 CO 0.54 -0.78 1.68 0.97 -0.36 0.00 0.00 175.35 177.39 3kiy h ILE 64 N 5.71 0.49 -3.89 5.43 6.09 -1.61 -3.43 117.51 126.30 3kiy h ILE 64 Ca -0.27 -0.08 -0.21 0.00 -1.37 0.00 0.00 64.86 62.94 3kiy h ILE 64 Cb 1.11 0.25 -0.15 0.00 0.47 0.00 0.00 36.82 38.50 3kiy h ILE 64 CO 0.82 0.04 -0.70 0.26 -3.07 0.00 0.00 178.15 175.51 3kiy s TRP 65 N -6.07 0.82 0.58 2.19 0.51 -1.26 -5.05 118.94 110.66 3kiy s TRP 65 Ca -0.13 -0.91 0.04 0.00 -2.12 0.00 0.00 56.10 52.98 3kiy s TRP 65 Cb 0.21 -0.49 0.22 0.00 -0.81 0.00 0.00 33.47 32.60 3kiy s TRP 65 CO 0.75 -0.18 1.07 -1.35 -0.51 0.00 0.00 176.95 176.73 3kiy h PRO 66 N 3.08 0.00 0.00 4.98 0.11 -1.94 -3.45 132.00 134.78 3kiy h PRO 66 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3kiy h PRO 66 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kiy h PRO 66 CO 0.64 0.00 0.00 0.94 -0.21 0.00 0.00 178.00 179.37 3kiy n GLN 67 N -2.39 0.00 0.00 1.05 -0.06 -1.26 -4.83 117.38 109.89 3kiy n GLN 67 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3kiy n GLN 67 Cb 0.86 -2.10 0.00 0.00 -4.06 0.00 0.00 30.24 24.93 3kiy n GLN 67 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 3kiy n LYS 68 N -2.00 0.00 -1.09 3.69 3.00 -1.26 -4.83 118.16 115.67 3kiy n LYS 68 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.06 3kiy n LYS 68 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 35.03 35.11 3kiy n LYS 68 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3kiy n HIS 69 N 0.00 2.43 -0.04 5.64 8.25 -1.26 -4.35 115.22 125.88 3kiy n HIS 69 Ca 0.00 -2.33 -0.16 0.00 -0.26 0.00 0.00 57.72 54.97 3kiy n HIS 69 Cb 0.00 -1.13 -0.07 0.00 1.12 0.00 0.00 29.99 29.90 3kiy n HIS 69 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3kiy h THR 70 N 0.95 1.33 0.00 1.59 2.02 -1.95 -3.47 112.91 113.37 3kiy h THR 70 Ca 0.47 -1.80 0.00 0.00 0.77 0.00 0.00 66.41 65.84 3kiy h THR 70 Cb 1.18 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 3kiy h THR 70 CO 1.13 0.56 0.00 0.61 0.37 0.00 0.00 175.52 178.19 3kiy n GLY 71 N 0.61 2.33 3.69 2.16 0.00 -1.26 -5.05 105.19 107.67 3kiy n GLY 71 Ca -0.07 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 3kiy n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kiy s ARG 72 N 0.00 0.29 0.14 1.61 1.81 -1.26 -5.02 118.95 116.53 3kiy s ARG 72 Ca 0.00 0.33 -0.25 0.00 -1.72 0.00 0.00 55.73 54.09 3kiy s ARG 72 Cb 0.00 -1.74 -0.07 0.00 -0.45 0.00 0.00 34.95 32.69 3kiy s ARG 72 CO 0.00 -2.78 0.78 0.00 -0.68 0.00 0.00 175.30 172.62 3kiy s ALA 73 N -3.07 3.43 0.15 2.13 0.00 -1.26 -4.99 121.76 118.14 3kiy s ALA 73 Ca 0.66 0.35 -0.34 0.00 0.00 0.00 0.00 51.96 52.64 3kiy s ALA 73 Cb -0.16 -2.97 -0.16 0.00 0.00 0.00 0.00 23.12 19.83 3kiy s ALA 73 CO 0.56 0.25 1.15 2.89 0.00 0.00 0.00 175.76 180.61 3kiy n ARG 74 N 1.84 1.02 -3.87 0.00 1.85 -1.26 -4.99 116.66 111.25 3kiy n ARG 74 Ca -0.05 0.36 -0.09 0.00 -1.00 0.00 0.00 57.85 57.07 3kiy n ARG 74 Cb 0.49 -1.86 -0.07 0.00 -1.05 0.00 0.00 32.46 29.97 3kiy n ARG 74 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3kiy s HIS 75 N -0.13 0.17 0.00 2.89 3.76 -1.26 -5.09 115.29 115.64 3kiy s HIS 75 Ca 0.76 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 55.07 3kiy s HIS 75 Cb -0.90 -0.06 0.00 0.00 1.11 0.00 0.00 32.58 32.73 3kiy s HIS 75 CO 0.52 -0.56 0.00 0.41 -0.85 0.00 0.00 174.74 174.26 3kiy n GLY 76 N -0.08 0.92 3.92 -2.22 0.00 -1.26 -4.55 105.19 101.92 3kiy n GLY 76 Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 3kiy n GLY 76 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kiy s ASP 77 N -0.28 6.29 0.00 1.61 -4.77 -1.22 -1.88 116.67 116.42 3kiy s ASP 77 Ca 0.00 0.69 0.21 0.00 -3.30 0.00 0.00 52.55 50.15 3kiy s ASP 77 Cb 0.00 -2.14 1.21 0.00 -1.09 0.00 0.00 42.92 40.90 3kiy s ASP 77 CO 0.00 -0.42 1.62 2.30 0.70 0.00 0.00 175.17 179.37 3kiy n ILE 78 N -1.96 0.04 0.60 2.11 -5.35 -1.26 -2.58 119.36 110.96 3kiy n ILE 78 Ca -0.02 0.01 0.13 0.00 -0.27 0.00 0.00 62.75 62.60 3kiy n ILE 78 Cb 0.56 -0.69 0.42 0.00 -1.74 0.00 0.00 39.64 38.19 3kiy n ILE 78 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kiy n GLY 79 N 0.30 -1.65 3.60 3.28 0.00 -1.26 -3.83 105.19 105.62 3kiy n GLY 79 Ca 0.15 -0.01 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 3kiy n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kiy n ALA 80 N -1.78 -0.22 0.26 4.61 0.00 -1.07 -0.76 120.51 121.56 3kiy n ALA 80 Ca 0.05 0.42 0.06 0.00 0.00 0.00 0.00 53.44 53.97 3kiy n ALA 80 Cb 0.40 -2.06 0.32 0.00 0.00 0.00 0.00 19.45 18.11 3kiy n ALA 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kiy h PRO 81 N 2.86 0.00 -0.68 0.00 0.11 -1.90 -0.55 132.00 131.83 3kiy h PRO 81 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3kiy h PRO 81 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3kiy h PRO 81 CO 0.66 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 178.89 3kiy n ILE 82 N -2.35 1.65 -0.75 4.15 -5.35 -1.26 -4.55 119.36 110.89 3kiy n ILE 82 Ca -0.01 -1.14 0.08 0.00 -0.27 0.00 0.00 62.75 61.42 3kiy n ILE 82 Cb 0.61 0.20 0.36 0.00 -1.74 0.00 0.00 39.64 39.08 3kiy n ILE 82 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3kiy n PHE 83 N 1.27 1.61 0.00 4.28 3.01 -0.21 -4.98 117.46 122.44 3kiy n PHE 83 Ca 0.26 -0.68 0.00 0.00 1.01 0.00 0.00 57.45 58.04 3kiy n PHE 83 Cb 0.84 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 3kiy n PHE 83 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3kiy n VAL 84 N 0.75 0.00 0.29 -4.37 0.31 -1.26 -3.38 118.33 110.68 3kiy n VAL 84 Ca 0.26 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.77 3kiy n VAL 84 Cb 0.99 0.00 0.86 0.00 -0.91 0.00 0.00 33.84 34.77 3kiy n VAL 84 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3kiy h GLY 85 N 0.00 0.00 -1.25 2.92 0.00 -1.92 -3.45 103.07 99.36 3kiy h GLY 85 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 3kiy h GLY 85 CO 0.00 0.00 -0.72 0.61 0.00 0.00 0.00 176.54 176.43 3kiy n GLY 86 N -0.39 -2.32 3.87 4.60 0.00 -1.22 -4.99 105.19 104.75 3kiy n GLY 86 Ca -0.01 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 3kiy n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kiy s GLY 87 N -1.66 1.75 0.46 -0.02 0.00 0.06 -4.94 107.32 102.98 3kiy s GLY 87 Ca 0.34 -0.14 -0.15 0.00 0.00 0.00 0.00 44.72 44.76 3kiy s GLY 87 CO 0.38 0.09 0.90 0.54 0.00 0.00 0.00 173.10 175.02 3kiy s VAL 88 N -2.84 4.60 0.00 1.40 0.11 -0.32 -3.96 120.40 119.39 3kiy s VAL 88 Ca 0.54 1.05 0.00 0.00 -2.93 0.00 0.00 61.98 60.64 3kiy s VAL 88 Cb -0.11 -3.70 0.00 0.00 -1.53 0.00 0.00 36.38 31.04 3kiy s VAL 88 CO 0.44 -0.57 0.00 0.52 -3.33 0.00 0.00 175.10 172.16 3kiy n VAL 89 N -1.32 0.00 -0.13 2.04 0.31 -1.26 -4.11 118.33 113.87 3kiy n VAL 89 Ca 0.05 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.37 3kiy n VAL 89 Cb 0.54 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.45 3kiy n VAL 89 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3kiy n PHE 90 N 0.00 0.00 -1.44 3.52 3.72 -1.26 -4.82 117.46 117.19 3kiy n PHE 90 Ca 0.00 -0.22 -0.33 0.00 -0.05 0.00 0.00 57.45 56.86 3kiy n PHE 90 Cb 0.00 -0.45 0.08 0.00 -0.94 0.00 0.00 39.48 38.18 3kiy n PHE 90 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3kiy s GLY 91 N 2.41 2.10 0.47 1.37 0.00 -1.26 -4.97 107.32 107.43 3kiy s GLY 91 Ca 0.06 0.63 -0.24 0.00 0.00 0.00 0.00 44.72 45.17 3kiy s GLY 91 CO 0.00 1.01 1.31 2.56 0.00 0.00 0.00 173.10 177.98 3kiy s PRO 92 N -4.21 3.63 0.24 2.90 0.04 -1.26 -4.87 135.00 131.46 3kiy s PRO 92 Ca 0.69 2.14 0.09 0.00 0.04 0.00 0.00 61.00 63.96 3kiy s PRO 92 Cb -0.23 -2.51 -0.05 0.00 0.04 0.00 0.00 34.50 31.74 3kiy s PRO 92 CO 0.47 -0.77 -0.16 0.15 0.04 0.00 0.00 177.00 176.73 3kiy s LYS 93 N -2.57 1.48 0.53 4.56 -0.14 -1.06 -2.27 119.74 120.27 3kiy s LYS 93 Ca 0.63 -1.67 -0.22 0.00 -1.36 0.00 0.00 55.97 53.35 3kiy s LYS 93 Cb -0.38 -1.38 -0.05 0.00 -1.68 0.00 0.00 37.83 34.34 3kiy s LYS 93 CO 0.47 0.23 1.34 -1.25 -0.76 0.00 0.00 175.35 175.38 3kiy s PRO 94 N -3.60 3.23 -0.10 -1.68 0.04 -1.12 -4.57 135.00 127.20 3kiy s PRO 94 Ca 0.26 2.19 -0.30 0.00 0.04 0.00 0.00 61.00 63.19 3kiy s PRO 94 Cb -0.02 -2.29 0.10 0.00 0.04 0.00 0.00 34.50 32.33 3kiy s PRO 94 CO 0.10 -1.11 0.85 -0.98 0.04 0.00 0.00 177.00 175.90 3kiy s ARG 95 N -2.87 0.82 0.19 4.56 1.70 -1.19 -5.00 118.95 117.16 3kiy s ARG 95 Ca 0.70 0.15 -0.30 0.00 -0.47 0.00 0.00 55.73 55.81 3kiy s ARG 95 Cb -0.39 0.39 -0.08 0.00 -0.57 0.00 0.00 34.95 34.30 3kiy s ARG 95 CO 0.47 -0.27 1.07 0.34 -1.08 0.00 0.00 175.30 175.83 3kiy s ASP 96 N -1.27 7.32 0.00 -2.89 -1.08 -1.26 -4.52 116.67 112.97 3kiy s ASP 96 Ca -0.05 2.08 0.13 0.00 -0.52 0.00 0.00 52.55 54.19 3kiy s ASP 96 Cb -0.00 -2.61 -0.01 0.00 -1.46 0.00 0.00 42.92 38.84 3kiy s ASP 96 CO 0.04 -0.16 0.72 -1.22 0.52 0.00 0.00 175.17 175.07 3kiy n TYR 97 N 2.15 0.00 -1.91 -5.34 4.01 -1.26 -5.03 117.16 109.78 3kiy n TYR 97 Ca 0.02 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.46 3kiy n TYR 97 Cb 0.46 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.61 3kiy n TYR 97 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3kiy s SER 98 N -1.66 4.10 0.18 7.72 1.04 -1.26 -4.44 113.70 119.38 3kiy s SER 98 Ca 0.10 0.63 -0.20 0.00 0.48 0.00 0.00 55.95 56.96 3kiy s SER 98 Cb 0.10 -0.99 0.04 0.00 0.10 0.00 0.00 66.02 65.28 3kiy s SER 98 CO 0.34 -2.14 0.56 -0.72 0.98 0.00 0.00 173.24 172.25 3kiy s TYR 99 N -3.67 -0.30 -1.21 5.02 1.13 -1.26 -4.98 117.35 112.09 3kiy s TYR 99 Ca 0.65 -0.00 -0.09 0.00 -1.41 0.00 0.00 57.07 56.22 3kiy s TYR 99 Cb -0.09 0.47 0.21 0.00 -1.10 0.00 0.00 41.96 41.45 3kiy s TYR 99 CO 0.50 -0.90 1.65 2.41 -2.51 0.00 0.00 175.55 176.70 3kiy n THR 100 N -0.35 4.57 -1.66 -3.49 -1.04 -1.26 -4.99 114.28 106.06 3kiy n THR 100 Ca -0.13 -4.88 -0.46 0.00 -2.04 0.00 0.00 64.05 56.54 3kiy n THR 100 Cb 0.63 -2.33 -0.03 0.00 -1.82 0.00 0.00 70.33 66.78 3kiy n THR 100 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3kiy n LEU 101 N 3.54 2.99 -4.61 -4.42 7.94 -1.26 -4.81 117.00 116.37 3kiy n LEU 101 Ca 0.35 1.12 -0.55 0.00 -1.11 0.00 0.00 56.01 55.82 3kiy n LEU 101 Cb 0.37 -1.41 -0.07 0.00 0.53 0.00 0.00 43.42 42.84 3kiy n LEU 101 CO 0.73 -0.47 1.49 -2.65 -1.11 0.00 0.00 177.39 175.38 3kiy n PRO 102 N 2.49 1.13 -0.30 1.96 -0.02 -1.26 -4.85 135.00 134.16 3kiy n PRO 102 Ca 0.14 0.39 0.13 0.00 -2.02 0.00 0.00 63.50 62.13 3kiy n PRO 102 Cb 0.30 -2.20 0.28 0.00 -0.02 0.00 0.00 33.50 31.86 3kiy n PRO 102 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kiy h LYS 103 N 8.84 0.13 -0.99 -0.52 1.57 -2.00 0.67 116.57 124.27 3kiy h LYS 103 Ca -0.39 -0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.54 3kiy h LYS 103 Cb 1.32 -0.03 -0.10 0.00 0.08 0.00 0.00 32.23 33.50 3kiy h LYS 103 CO 0.99 0.09 0.60 0.87 -0.57 0.00 0.00 179.45 181.43 3kiy h LYS 104 N 0.14 0.81 0.00 3.15 1.57 -2.00 0.43 116.57 120.68 3kiy h LYS 104 Ca 0.55 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 59.19 3kiy h LYS 104 Cb 1.11 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 3kiy h LYS 104 CO -0.72 0.54 -0.40 0.28 -0.57 0.00 0.00 179.45 178.57 3kiy h VAL 105 N 0.84 1.09 0.14 0.50 2.07 -0.03 -0.35 116.25 120.51 3kiy h VAL 105 Ca 0.54 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 3kiy h VAL 105 Cb 0.73 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 3kiy h VAL 105 CO -0.34 0.40 -0.07 0.03 0.02 0.00 0.00 177.57 177.61 3kiy h ARG 106 N 0.00 -0.18 0.22 1.57 2.47 0.40 -1.94 114.38 116.92 3kiy h ARG 106 Ca -0.00 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3kiy h ARG 106 Cb 0.82 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.17 3kiy h ARG 106 CO 0.05 0.15 -0.15 0.87 0.56 0.00 0.00 179.97 181.45 3kiy h LYS 107 N -0.52 -0.36 -0.67 0.04 1.79 -0.99 -1.34 116.57 114.51 3kiy h LYS 107 Ca -0.02 0.02 0.13 0.00 -2.18 0.00 0.00 60.65 58.61 3kiy h LYS 107 Cb 0.41 0.08 -0.13 0.00 -1.58 0.00 0.00 32.23 31.01 3kiy h LYS 107 CO 0.03 -0.24 -0.19 0.87 -1.08 0.00 0.00 179.45 178.84 3kiy h LYS 108 N -0.37 -0.02 0.41 3.15 1.79 -1.08 0.73 116.57 121.19 3kiy h LYS 108 Ca -0.02 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 3kiy h LYS 108 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 3kiy h LYS 108 CO 0.00 -0.01 -0.20 0.78 -1.08 0.00 0.00 179.45 178.94 3kiy h GLY 109 N -0.02 -0.58 -0.58 3.86 0.00 -1.14 0.21 103.07 104.82 3kiy h GLY 109 Ca 0.32 0.22 0.12 0.00 0.00 0.00 0.00 47.33 47.99 3kiy h GLY 109 CO -0.70 -0.21 -0.32 -2.00 0.00 0.00 0.00 176.54 173.30 3kiy h LEU 110 N -0.74 -1.15 -0.07 3.11 6.46 -0.46 1.01 115.31 123.47 3kiy h LEU 110 Ca -0.06 0.25 0.04 0.00 -0.12 0.00 0.00 57.88 57.99 3kiy h LEU 110 Cb 0.52 0.60 -0.05 0.00 -0.73 0.00 0.00 40.66 41.00 3kiy h LEU 110 CO 0.09 -0.29 -0.22 0.00 -0.62 0.00 0.00 178.44 177.40 3kiy h ALA 111 N 1.22 -0.23 -0.98 1.25 0.00 -0.74 -1.93 119.26 117.85 3kiy h ALA 111 Ca 0.28 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.24 3kiy h ALA 111 Cb 0.57 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 3kiy h ALA 111 CO -0.77 -0.70 0.65 0.52 0.00 0.00 0.00 179.25 178.95 3kiy h MET 112 N -0.31 1.25 0.22 0.00 2.86 0.19 0.14 114.93 119.28 3kiy h MET 112 Ca 0.08 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3kiy h MET 112 Cb 0.43 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3kiy h MET 112 CO -0.25 0.83 -0.24 0.00 1.06 0.00 0.00 176.91 178.31 3kiy h ALA 113 N 1.38 -0.92 -0.25 6.32 0.00 0.14 0.55 119.26 126.48 3kiy h ALA 113 Ca 0.37 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.26 3kiy h ALA 113 Cb -0.08 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 3kiy h ALA 113 CO -0.10 -0.94 -0.23 0.28 0.00 0.00 0.00 179.25 178.26 3kiy h VAL 114 N -0.46 0.40 0.00 0.00 2.07 -1.27 0.66 116.25 117.65 3kiy h VAL 114 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3kiy h VAL 114 Cb 0.41 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3kiy h VAL 114 CO -0.04 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.55 3kiy n ALA 115 N -2.80 -0.07 -0.25 1.67 0.00 0.50 0.12 120.51 119.68 3kiy n ALA 115 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.37 3kiy n ALA 115 Cb 0.29 0.39 -0.01 0.00 0.00 0.00 0.00 19.45 20.11 3kiy n ALA 115 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3kiy h ASP 116 N 0.00 -1.42 -0.46 0.00 3.58 0.43 1.44 116.42 120.00 3kiy h ASP 116 Ca 0.00 0.26 0.13 0.00 0.42 0.00 0.00 57.03 57.83 3kiy h ASP 116 Cb 0.00 0.68 -0.02 0.00 1.72 0.00 0.00 39.33 41.71 3kiy h ASP 116 CO 0.00 -0.31 0.33 -0.09 -2.88 0.00 0.00 179.24 176.29 3kiy h ARG 117 N -0.15 0.04 0.06 0.28 9.65 -0.02 0.42 114.38 124.66 3kiy h ARG 117 Ca 0.23 -0.00 -0.20 0.00 -1.10 0.00 0.00 59.98 58.91 3kiy h ARG 117 Cb 0.56 -0.01 0.02 0.00 -1.39 0.00 0.00 29.97 29.15 3kiy h ARG 117 CO -0.76 0.03 -0.80 0.00 2.80 0.00 0.00 179.97 181.23 3kiy h ALA 118 N 1.77 0.02 -0.06 2.80 0.00 0.97 -2.83 119.26 121.92 3kiy h ALA 118 Ca 0.22 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 3kiy h ALA 118 Cb 0.82 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3kiy h ALA 118 CO -0.01 0.44 0.04 -0.09 0.00 0.00 0.00 179.25 179.63 3kiy h ARG 119 N -0.07 0.08 0.00 0.00 2.43 0.20 0.75 114.38 117.78 3kiy h ARG 119 Ca -0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3kiy h ARG 119 Cb 1.53 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.06 3kiy h ARG 119 CO 0.15 0.06 0.00 0.39 -1.51 0.00 0.00 179.97 179.06 3kiy n GLU 120 N -4.53 0.21 -0.94 0.20 1.02 -0.02 -4.84 120.64 111.74 3kiy n GLU 120 Ca -0.02 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 3kiy n GLU 120 Cb 0.09 -1.89 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 3kiy n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kiy n GLY 121 N -0.01 0.91 0.14 0.62 0.00 0.26 -4.87 105.19 102.25 3kiy n GLY 121 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 3kiy n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kiy n LYS 122 N -2.13 1.18 -3.00 1.61 4.76 -1.08 -4.84 118.16 114.67 3kiy n LYS 122 Ca 0.00 -0.27 -0.32 0.00 -2.87 0.00 0.00 58.31 54.85 3kiy n LYS 122 Cb 0.00 -1.34 -0.05 0.00 -1.84 0.00 0.00 35.03 31.80 3kiy n LYS 122 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3kiy s LEU 123 N -1.63 3.97 -0.30 -0.35 2.96 -1.17 -3.14 118.68 119.03 3kiy s LEU 123 Ca 0.31 1.30 -0.03 0.00 -0.22 0.00 0.00 54.13 55.49 3kiy s LEU 123 Cb 0.15 -4.13 0.19 0.00 0.50 0.00 0.00 46.19 42.90 3kiy s LEU 123 CO 0.24 -0.29 0.71 -0.22 -1.32 0.00 0.00 176.35 175.47 3kiy s LEU 124 N -3.27 -1.20 -0.36 -0.68 2.96 -0.30 -4.62 118.68 111.21 3kiy s LEU 124 Ca 0.54 0.64 -0.12 0.00 -0.22 0.00 0.00 54.13 54.97 3kiy s LEU 124 Cb -0.10 1.96 0.00 0.00 0.50 0.00 0.00 46.19 48.55 3kiy s LEU 124 CO 0.21 -0.22 0.23 -1.48 -1.32 0.00 0.00 176.35 173.77 3kiy s LEU 125 N 2.88 4.61 0.00 -0.68 2.34 -1.20 -0.61 118.68 126.03 3kiy s LEU 125 Ca 0.15 -0.65 0.03 0.00 0.06 0.00 0.00 54.13 53.72 3kiy s LEU 125 Cb -0.13 -2.10 0.04 0.00 -0.56 0.00 0.00 46.19 43.45 3kiy s LEU 125 CO -0.20 -0.30 0.34 1.33 -1.06 0.00 0.00 176.35 176.46 3kiy n VAL 126 N 5.08 0.00 0.04 1.48 0.24 -0.06 -3.90 118.33 121.21 3kiy n VAL 126 Ca -0.12 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 61.45 3kiy n VAL 126 Cb 0.48 -0.91 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 3kiy n VAL 126 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3kiy n GLU 127 N -1.56 0.00 -1.67 7.34 4.07 -1.25 -2.10 120.64 125.47 3kiy n GLU 127 Ca 0.06 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 57.00 3kiy n GLU 127 Cb 0.24 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.52 3kiy n GLU 127 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kiy s ALA 128 N -2.00 0.71 -1.11 4.31 0.00 -1.26 -4.84 121.76 117.58 3kiy s ALA 128 Ca 0.00 -1.41 -0.07 0.00 0.00 0.00 0.00 51.96 50.48 3kiy s ALA 128 Cb 0.00 -4.67 0.29 0.00 0.00 0.00 0.00 23.12 18.74 3kiy s ALA 128 CO 0.00 -6.44 1.35 1.19 0.00 0.00 0.00 175.76 171.86 3kiy n PHE 129 N 18.65 3.61 0.30 0.00 3.72 -1.26 -4.76 117.46 137.72 3kiy n PHE 129 Ca 0.43 -3.16 0.16 0.00 -0.05 0.00 0.00 57.45 54.83 3kiy n PHE 129 Cb 0.46 -1.50 0.61 0.00 -0.94 0.00 0.00 39.48 38.11 3kiy n PHE 129 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kiy h ALA 130 N 5.99 1.00 0.00 4.37 0.00 -1.98 -3.34 119.26 125.30 3kiy h ALA 130 Ca 0.20 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.63 3kiy h ALA 130 Cb 0.73 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.54 3kiy h ALA 130 CO 1.22 0.00 2.69 0.41 0.00 0.00 0.00 179.25 183.56 3kiy n GLY 131 N 0.12 3.17 3.36 0.00 0.00 -1.26 -4.88 105.19 105.70 3kiy n GLY 131 Ca 0.01 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 3kiy n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kiy s VAL 132 N 3.66 1.41 0.00 1.61 0.11 -1.26 -4.44 120.40 121.49 3kiy s VAL 132 Ca 0.47 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.52 3kiy s VAL 132 Cb 0.12 -2.10 0.00 0.00 -1.53 0.00 0.00 36.38 32.87 3kiy s VAL 132 CO -0.00 0.00 0.00 0.59 -3.33 0.00 0.00 175.10 172.36 3kiy n ASN 133 N -5.44 -2.88 -3.57 3.54 5.03 -1.26 -4.33 115.26 106.35 3kiy n ASN 133 Ca 0.10 0.56 -0.28 0.00 0.87 0.00 0.00 54.58 55.83 3kiy n ASN 133 Cb 0.59 -0.88 -0.14 0.00 -1.02 0.00 0.00 39.78 38.33 3kiy n ASN 133 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kiy n GLY 134 N 1.85 -0.39 2.58 7.41 0.00 -1.24 -4.75 105.19 110.65 3kiy n GLY 134 Ca 0.00 0.63 -0.13 0.00 0.00 0.00 0.00 46.02 46.52 3kiy n GLY 134 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kiy n LYS 135 N 5.99 0.72 0.00 1.61 3.00 -1.26 -4.78 118.16 123.44 3kiy n LYS 135 Ca 0.53 -2.23 0.00 0.00 -0.00 0.00 0.00 58.31 56.61 3kiy n LYS 135 Cb 0.05 -1.40 0.00 0.00 0.00 0.00 0.00 35.03 33.68 3kiy n LYS 135 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 3kiy n THR 136 N 1.72 0.00 -0.18 3.15 -1.04 -1.22 0.72 114.28 117.43 3kiy n THR 136 Ca 0.14 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.10 3kiy n THR 136 Cb 0.59 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.06 3kiy n THR 136 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3kiy n LYS 137 N 0.00 -0.19 -0.28 -2.82 5.02 -1.26 0.45 118.16 119.09 3kiy n LYS 137 Ca 0.00 0.79 -0.08 0.00 -2.02 0.00 0.00 58.31 57.00 3kiy n LYS 137 Cb 0.00 -1.16 -0.04 0.00 -0.02 0.00 0.00 35.03 33.82 3kiy n LYS 137 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3kiy h GLU 138 N 0.00 -0.14 -0.75 1.97 5.08 -0.04 0.18 114.58 120.87 3kiy h GLU 138 Ca 0.07 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3kiy h GLU 138 Cb 0.17 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 3kiy h GLU 138 CO -0.40 -0.10 0.49 0.35 -1.00 0.00 0.00 179.01 178.36 3kiy h PHE 139 N -0.15 0.93 -0.02 4.33 3.57 -0.14 -2.28 116.94 123.18 3kiy h PHE 139 Ca 0.20 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.76 3kiy h PHE 139 Cb 0.54 -0.32 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 3kiy h PHE 139 CO -0.80 0.58 -0.40 1.25 -2.23 0.00 0.00 178.31 176.71 3kiy h LEU 140 N 1.00 -1.22 -0.09 0.59 5.85 0.22 0.38 115.31 122.05 3kiy h LEU 140 Ca 0.28 0.15 0.04 0.00 0.84 0.00 0.00 57.88 59.19 3kiy h LEU 140 Cb -0.11 0.48 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 3kiy h LEU 140 CO -0.06 -0.44 -0.19 0.00 -0.34 0.00 0.00 178.44 177.41 3kiy h ALA 141 N 0.05 -0.16 -0.72 1.25 0.00 -1.02 -0.19 119.26 118.46 3kiy h ALA 141 Ca 0.06 0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.13 3kiy h ALA 141 Cb 0.63 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 3kiy h ALA 141 CO -0.32 -0.65 0.27 2.35 0.00 0.00 0.00 179.25 180.90 3kiy h TRP 142 N -0.26 0.46 -0.58 0.00 7.01 -0.95 -0.23 115.95 121.39 3kiy h TRP 142 Ca 0.08 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.14 3kiy h TRP 142 Cb 0.38 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.31 3kiy h TRP 142 CO -0.28 0.05 0.37 0.00 -2.79 0.00 0.00 178.44 175.80 3kiy h ALA 143 N 1.53 0.75 -0.09 2.65 0.00 0.86 -0.65 119.26 124.30 3kiy h ALA 143 Ca 0.39 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.31 3kiy h ALA 143 Cb 0.58 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3kiy h ALA 143 CO -0.40 0.12 -0.10 -0.22 0.00 0.00 0.00 179.25 178.66 3kiy h LYS 144 N 0.73 -0.12 -0.84 0.00 3.64 0.65 0.23 116.57 120.86 3kiy h LYS 144 Ca 0.23 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.70 3kiy h LYS 144 Cb -0.02 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.77 3kiy h LYS 144 CO -0.08 -0.08 0.55 0.93 -2.27 0.00 0.00 179.45 178.50 3kiy h GLU 145 N -0.12 0.82 0.00 1.90 4.39 -0.80 0.39 114.58 121.15 3kiy h GLU 145 Ca 0.07 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3kiy h GLU 145 Cb 0.22 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3kiy h GLU 145 CO -0.17 0.54 0.00 0.00 -1.16 0.00 0.00 179.01 178.23 3kiy n ALA 146 N -2.42 2.52 -1.56 3.43 0.00 -0.29 -4.89 120.51 117.30 3kiy n ALA 146 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3kiy n ALA 146 Cb 0.29 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3kiy n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kiy n GLY 147 N 1.14 0.96 2.87 0.00 0.00 0.13 -5.04 105.19 105.24 3kiy n GLY 147 Ca 0.17 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 3kiy n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kiy s LEU 148 N -0.47 4.07 0.14 0.99 1.43 0.68 -4.94 118.68 120.58 3kiy s LEU 148 Ca 0.00 -3.21 -0.02 0.00 -1.03 0.00 0.00 54.13 49.87 3kiy s LEU 148 Cb 0.00 -1.49 -0.06 0.00 0.03 0.00 0.00 46.19 44.67 3kiy s LEU 148 CO 0.00 -0.19 1.33 -2.24 0.23 0.00 0.00 176.35 175.48 3kiy h ASP 149 N 6.16 0.44 0.00 2.29 3.04 -1.89 -3.33 116.42 123.14 3kiy h ASP 149 Ca 0.02 -0.35 0.00 0.00 -3.24 0.00 0.00 57.03 53.45 3kiy h ASP 149 Cb 0.86 -0.13 0.00 0.00 -1.04 0.00 0.00 39.33 39.01 3kiy h ASP 149 CO 0.65 1.15 0.00 0.61 -2.04 0.00 0.00 179.24 179.61 3kiy n GLY 150 N 0.91 1.82 0.11 7.15 0.00 -1.26 -4.98 105.19 108.94 3kiy n GLY 150 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 3kiy n GLY 150 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kiy n SER 151 N 0.00 1.27 -4.49 1.61 7.64 -1.26 -4.87 113.62 113.51 3kiy n SER 151 Ca 0.00 0.22 -0.33 0.00 1.01 0.00 0.00 58.87 59.77 3kiy n SER 151 Cb 0.00 -0.20 -0.13 0.00 -1.01 0.00 0.00 64.21 62.88 3kiy n SER 151 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3kiy s GLU 152 N -2.56 3.06 0.47 1.43 2.02 -1.26 -5.11 118.70 116.76 3kiy s GLU 152 Ca -0.15 -0.61 -0.23 0.00 0.02 0.00 0.00 54.97 54.01 3kiy s GLU 152 Cb 0.07 -2.63 -0.07 0.00 0.10 0.00 0.00 34.13 31.60 3kiy s GLU 152 CO 0.78 0.45 1.18 -1.54 0.02 0.00 0.00 175.26 176.15 3kiy s SER 153 N -0.25 6.08 -0.02 -0.19 1.04 -1.26 -4.84 113.70 114.26 3kiy s SER 153 Ca 0.03 2.33 0.04 0.00 0.48 0.00 0.00 55.95 58.82 3kiy s SER 153 Cb -0.13 -2.60 -0.00 0.00 0.10 0.00 0.00 66.02 63.38 3kiy s SER 153 CO 0.03 -0.98 -0.13 -0.69 0.98 0.00 0.00 173.24 172.45 3kiy s VAL 154 N -1.54 1.06 -0.56 5.02 1.01 0.88 -0.57 120.40 125.68 3kiy s VAL 154 Ca 0.65 -0.54 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 3kiy s VAL 154 Cb -0.29 -0.91 0.14 0.00 0.00 0.00 0.00 36.38 35.32 3kiy s VAL 154 CO 0.35 0.31 0.51 -0.22 0.00 0.00 0.00 175.10 176.06 3kiy s LEU 155 N -0.05 6.20 -0.43 3.92 2.96 0.61 -0.00 118.68 131.90 3kiy s LEU 155 Ca -0.00 -1.90 -0.18 0.00 -0.22 0.00 0.00 54.13 51.83 3kiy s LEU 155 Cb -0.08 -2.19 0.03 0.00 0.50 0.00 0.00 46.19 44.45 3kiy s LEU 155 CO 0.00 -0.81 0.49 -0.22 -1.32 0.00 0.00 176.35 174.49 3kiy s LEU 156 N 1.42 4.84 0.26 -0.68 2.96 -0.67 -1.88 118.68 124.92 3kiy s LEU 156 Ca 0.05 -0.66 0.05 0.00 -0.22 0.00 0.00 54.13 53.35 3kiy s LEU 156 Cb -0.28 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 43.94 3kiy s LEU 156 CO 0.01 -0.64 0.36 0.68 -1.32 0.00 0.00 176.35 175.44 3kiy s VAL 157 N 2.28 4.99 0.00 1.68 -7.23 -0.87 -1.70 120.40 119.54 3kiy s VAL 157 Ca 0.14 -1.04 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 3kiy s VAL 157 Cb -0.17 -3.74 0.00 0.00 0.56 0.00 0.00 36.38 33.03 3kiy s VAL 157 CO 0.14 -0.31 0.00 1.07 -0.31 0.00 0.00 175.10 175.70 3kiy n THR 158 N -1.42 0.00 0.65 5.32 5.66 -1.15 -3.18 114.28 120.16 3kiy n THR 158 Ca -0.08 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.04 3kiy n THR 158 Cb 0.57 0.00 0.16 0.00 -1.55 0.00 0.00 70.33 69.51 3kiy n THR 158 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3kiy n GLY 159 N -0.92 -1.34 3.56 1.09 0.00 -1.26 -4.07 105.19 102.25 3kiy n GLY 159 Ca 0.00 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 3kiy n GLY 159 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kiy s ASN 160 N -3.93 5.45 0.64 1.61 3.04 -1.26 -4.84 114.94 115.65 3kiy s ASN 160 Ca 0.07 0.37 0.35 0.00 0.04 0.00 0.00 52.86 53.68 3kiy s ASN 160 Cb 0.14 -2.53 1.93 0.00 -1.54 0.00 0.00 41.25 39.25 3kiy s ASN 160 CO 0.73 -2.23 2.16 -0.33 -3.04 0.00 0.00 177.10 174.39 3kiy h GLU 161 N 14.15 0.00 0.01 0.43 5.08 -1.99 -0.34 114.58 131.93 3kiy h GLU 161 Ca -0.27 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 3kiy h GLU 161 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3kiy h GLU 161 CO 1.20 0.00 -0.11 -0.07 -1.00 0.00 0.00 179.01 179.04 3kiy h LEU 162 N 0.00 0.07 -2.15 1.33 4.07 -1.98 -0.45 115.31 116.19 3kiy h LEU 162 Ca 0.03 -0.94 -0.01 0.00 0.08 0.00 0.00 57.88 57.04 3kiy h LEU 162 Cb 0.34 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.06 3kiy h LEU 162 CO -0.00 1.00 -0.04 0.58 -1.08 0.00 0.00 178.44 178.91 3kiy h VAL 163 N -0.86 0.76 0.39 1.22 2.07 -1.68 0.24 116.25 118.40 3kiy h VAL 163 Ca -0.02 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 3kiy h VAL 163 Cb 1.03 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3kiy h VAL 163 CO 0.02 0.04 -0.19 -0.09 0.02 0.00 0.00 177.57 177.37 3kiy h ARG 164 N 0.00 -0.51 -0.16 1.57 9.65 -1.03 -2.96 114.38 120.94 3kiy h ARG 164 Ca -0.00 0.03 0.05 0.00 -1.10 0.00 0.00 59.98 58.96 3kiy h ARG 164 Cb 0.08 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.77 3kiy h ARG 164 CO 0.00 -0.34 0.27 0.00 2.80 0.00 0.00 179.97 182.70 3kiy h ARG 165 N -0.71 0.00 0.20 0.20 3.08 -0.56 -2.46 114.38 114.13 3kiy h ARG 165 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3kiy h ARG 165 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3kiy h ARG 165 CO 0.09 0.00 -0.18 0.00 -1.07 0.00 0.00 179.97 178.81 3kiy h ALA 166 N 1.61 -0.93 -3.00 0.04 0.00 -0.37 -3.42 119.26 113.20 3kiy h ALA 166 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kiy h ALA 166 Cb 0.62 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3kiy h ALA 166 CO -0.00 -0.93 0.00 0.00 0.00 0.00 0.00 179.25 178.32 3kiy n ALA 167 N -2.42 0.00 -0.63 0.00 0.00 -0.93 -3.38 120.51 113.16 3kiy n ALA 167 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3kiy n ALA 167 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 3kiy n ALA 167 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kiy n ARG 168 N 0.00 0.00 0.00 0.00 0.63 -1.22 -3.53 116.66 112.54 3kiy n ARG 168 Ca 0.00 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.97 3kiy n ARG 168 Cb 0.00 0.00 0.22 0.00 0.45 0.00 0.00 32.46 33.13 3kiy n ARG 168 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 3kiy n ASN 169 N 2.77 0.00 -4.61 6.15 2.85 -1.26 -4.51 115.26 116.66 3kiy n ASN 169 Ca 0.00 -0.08 -0.43 0.00 -0.11 0.00 0.00 54.58 53.96 3kiy n ASN 169 Cb 0.00 -0.11 -0.02 0.00 1.24 0.00 0.00 39.78 40.88 3kiy n ASN 169 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 3kiy s LEU 170 N -2.22 3.79 0.22 1.20 2.96 -1.23 -4.95 118.68 118.45 3kiy s LEU 170 Ca 0.10 0.57 -0.14 0.00 -0.22 0.00 0.00 54.13 54.44 3kiy s LEU 170 Cb 0.05 -3.47 0.25 0.00 0.50 0.00 0.00 46.19 43.52 3kiy s LEU 170 CO 0.10 -1.10 1.61 1.55 -1.32 0.00 0.00 176.35 177.19 3kiy h PRO 171 N 8.86 -0.03 -0.21 0.98 0.13 -1.97 -0.14 132.00 139.61 3kiy h PRO 171 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3kiy h PRO 171 Cb 1.06 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3kiy h PRO 171 CO 1.08 -0.02 0.00 -2.67 -0.23 0.00 0.00 178.00 176.16 3kiy n TRP 172 N -5.46 0.00 -4.25 1.56 4.27 -1.26 -4.77 117.44 107.53 3kiy n TRP 172 Ca 0.08 0.00 -0.18 0.00 -3.89 0.00 0.00 57.50 53.51 3kiy n TRP 172 Cb 0.36 -0.02 -0.13 0.00 -1.36 0.00 0.00 31.31 30.16 3kiy n TRP 172 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 3kiy s VAL 173 N -1.71 0.99 -0.30 -1.67 1.01 -0.07 -0.09 120.40 118.56 3kiy s VAL 173 Ca 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.94 3kiy s VAL 173 Cb 0.00 -0.93 0.09 0.00 0.00 0.00 0.00 36.38 35.54 3kiy s VAL 173 CO 0.00 -0.11 0.04 -0.69 0.00 0.00 0.00 175.10 174.34 3kiy s VAL 174 N -1.00 1.47 0.81 2.92 1.01 1.00 -4.71 120.40 121.90 3kiy s VAL 174 Ca -0.01 -1.62 -0.12 0.00 0.00 0.00 0.00 61.98 60.23 3kiy s VAL 174 Cb -0.08 -2.00 0.08 0.00 0.00 0.00 0.00 36.38 34.38 3kiy s VAL 174 CO 0.01 -0.49 1.10 0.28 0.00 0.00 0.00 175.10 176.00 3kiy s THR 175 N 1.34 2.89 0.00 3.92 -1.32 -1.26 -1.67 115.64 119.54 3kiy s THR 175 Ca 0.06 0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.83 3kiy s THR 175 Cb -0.18 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.77 3kiy s THR 175 CO -0.14 -0.38 0.00 -0.11 -2.21 0.00 0.00 174.62 171.78 3kiy n LEU 176 N -3.48 0.00 -4.64 9.08 7.94 -0.69 -4.84 117.00 120.37 3kiy n LEU 176 Ca 0.07 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.68 3kiy n LEU 176 Cb 0.57 0.00 0.18 0.00 0.53 0.00 0.00 43.42 44.70 3kiy n LEU 176 CO 0.57 0.00 0.62 0.00 -1.11 0.00 0.00 177.39 177.46 3kiy s ALA 177 N -0.65 0.77 0.25 1.96 0.00 -1.26 -2.94 121.76 119.89 3kiy s ALA 177 Ca 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 51.96 51.93 3kiy s ALA 177 Cb 0.00 -3.21 0.29 0.00 0.00 0.00 0.00 23.12 20.20 3kiy s ALA 177 CO 0.00 -2.97 1.58 -1.00 0.00 0.00 0.00 175.76 173.37 3kiy h PRO 178 N -2.00 0.08 0.00 0.00 0.13 -1.93 -3.01 132.00 125.27 3kiy h PRO 178 Ca -0.54 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.53 3kiy h PRO 178 Cb 1.31 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 3kiy h PRO 178 CO 0.53 0.69 -0.01 0.93 -0.23 0.00 0.00 178.00 179.91 3kiy h GLU 179 N 0.06 0.00 -0.53 0.86 3.07 -1.95 -2.88 114.58 113.21 3kiy h GLU 179 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3kiy h GLU 179 Cb 1.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 3kiy h GLU 179 CO 0.09 0.01 0.00 0.41 -1.40 0.00 0.00 179.01 178.11 3kiy n GLY 180 N 0.13 1.47 3.63 -3.84 0.00 -1.14 -4.92 105.19 100.52 3kiy n GLY 180 Ca 0.01 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 3kiy n GLY 180 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kiy s LEU 181 N -1.16 3.85 0.09 0.99 2.96 -1.09 -4.94 118.68 119.39 3kiy s LEU 181 Ca 0.32 1.92 0.07 0.00 -0.22 0.00 0.00 54.13 56.22 3kiy s LEU 181 Cb 0.19 -3.52 -0.03 0.00 0.50 0.00 0.00 46.19 43.32 3kiy s LEU 181 CO 0.19 -1.46 -0.17 0.54 -1.32 0.00 0.00 176.35 174.13 3kiy s ASN 182 N 5.65 2.13 0.29 3.68 2.20 -1.26 -5.05 114.94 122.57 3kiy s ASN 182 Ca 0.85 -0.67 0.03 0.00 -0.94 0.00 0.00 52.86 52.13 3kiy s ASN 182 Cb -0.31 -0.10 0.62 0.00 -2.00 0.00 0.00 41.25 39.46 3kiy s ASN 182 CO 0.34 -0.02 1.81 -0.37 -2.94 0.00 0.00 177.10 175.93 3kiy h VAL 183 N 4.12 0.84 0.72 3.54 -1.51 -1.92 -0.90 116.25 121.14 3kiy h VAL 183 Ca -0.43 -0.31 -0.03 0.00 -1.23 0.00 0.00 66.70 64.69 3kiy h VAL 183 Cb 1.19 -0.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.20 3kiy h VAL 183 CO 0.41 0.17 -0.37 0.22 -1.23 0.00 0.00 177.57 176.76 3kiy h TYR 184 N 0.91 -0.97 -0.30 5.19 3.20 -1.94 -1.84 116.97 121.22 3kiy h TYR 184 Ca 0.53 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.45 3kiy h TYR 184 Cb 0.64 0.33 -0.07 0.00 1.54 0.00 0.00 36.73 39.17 3kiy h TYR 184 CO -0.00 -0.59 -0.15 -0.44 -1.64 0.00 0.00 178.16 175.34 3kiy h ASP 185 N -1.00 -0.50 -1.13 -2.11 3.32 -1.91 0.34 116.42 113.42 3kiy h ASP 185 Ca -0.10 0.12 0.32 0.00 0.02 0.00 0.00 57.03 57.39 3kiy h ASP 185 Cb 0.78 0.27 -0.07 0.00 0.22 0.00 0.00 39.33 40.53 3kiy h ASP 185 CO 0.15 -0.18 0.78 0.40 -1.72 0.00 0.00 179.24 178.66 3kiy h ILE 186 N -0.10 0.44 0.07 0.35 2.04 -1.10 -2.53 117.51 116.67 3kiy h ILE 186 Ca 0.16 -0.05 -0.23 0.00 1.00 0.00 0.00 64.86 65.73 3kiy h ILE 186 Cb 0.34 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3kiy h ILE 186 CO -0.37 0.03 -1.22 0.58 0.00 0.00 0.00 178.15 177.17 3kiy h VAL 187 N 0.15 1.08 -0.01 1.67 2.07 0.44 -3.35 116.25 118.29 3kiy h VAL 187 Ca 0.58 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.78 3kiy h VAL 187 Cb 1.99 2.66 -0.00 0.00 -1.52 0.00 0.00 31.29 34.42 3kiy h VAL 187 CO -0.13 0.60 0.11 0.08 0.02 0.00 0.00 177.57 178.25 3kiy h ARG 188 N -0.56 0.00 -5.75 1.57 0.11 -0.49 -3.41 114.38 105.85 3kiy h ARG 188 Ca -0.28 0.00 -0.65 0.00 0.10 0.00 0.00 59.98 59.15 3kiy h ARG 188 Cb 1.56 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.58 3kiy h ARG 188 CO -0.02 0.00 -0.48 0.95 0.10 0.00 0.00 179.97 180.52 3kiy s THR 189 N -4.19 5.45 0.10 0.08 -4.23 -1.09 -5.03 115.64 106.73 3kiy s THR 189 Ca -0.04 0.02 -0.13 0.00 -1.18 0.00 0.00 61.69 60.36 3kiy s THR 189 Cb 0.12 -3.49 -0.16 0.00 1.34 0.00 0.00 72.50 70.31 3kiy s THR 189 CO 0.39 0.45 1.30 -0.33 -0.54 0.00 0.00 174.62 175.88 3kiy h GLU 190 N 4.29 0.80 -6.79 3.99 5.08 -1.77 -3.46 114.58 116.72 3kiy h GLU 190 Ca -0.51 -0.66 -0.67 0.00 -1.00 0.00 0.00 59.36 56.52 3kiy h GLU 190 Cb 1.20 0.14 -0.22 0.00 0.50 0.00 0.00 28.75 30.37 3kiy h GLU 190 CO 0.64 1.26 -0.86 1.03 -1.00 0.00 0.00 179.01 180.09 3kiy s ARG 191 N -3.74 1.38 -0.22 2.33 0.52 0.26 -4.93 118.95 114.55 3kiy s ARG 191 Ca -0.10 -1.31 0.01 0.00 -0.52 0.00 0.00 55.73 53.81 3kiy s ARG 191 Cb 0.09 -1.83 0.05 0.00 0.52 0.00 0.00 34.95 33.78 3kiy s ARG 191 CO 0.91 0.43 -0.11 -1.17 0.02 0.00 0.00 175.30 175.38 3kiy s LEU 192 N -2.00 2.64 -0.19 2.53 0.20 -1.19 -0.28 118.68 120.39 3kiy s LEU 192 Ca 0.13 -1.04 -0.03 0.00 0.69 0.00 0.00 54.13 53.88 3kiy s LEU 192 Cb -0.10 -1.36 -0.01 0.00 -0.43 0.00 0.00 46.19 44.29 3kiy s LEU 192 CO 0.06 -0.15 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.20 3kiy s VAL 193 N 1.29 3.27 -0.03 1.68 1.01 -0.79 -1.15 120.40 125.69 3kiy s VAL 193 Ca -0.03 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.46 3kiy s VAL 193 Cb -0.17 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 3kiy s VAL 193 CO -0.08 0.46 -0.20 -0.04 0.00 0.00 0.00 175.10 175.24 3kiy s MET 194 N 1.05 1.79 0.41 2.72 -1.94 0.23 -2.05 119.30 121.51 3kiy s MET 194 Ca 0.00 -0.73 -0.26 0.00 -1.71 0.00 0.00 55.69 52.99 3kiy s MET 194 Cb -0.15 -1.67 -0.09 0.00 2.01 0.00 0.00 34.83 34.94 3kiy s MET 194 CO -0.01 0.40 1.38 0.34 -0.01 0.00 0.00 175.02 177.12 3kiy s ASP 195 N -0.34 6.18 0.57 3.03 -1.08 -1.19 -0.88 116.67 122.95 3kiy s ASP 195 Ca 0.04 2.83 0.35 0.00 -0.52 0.00 0.00 52.55 55.25 3kiy s ASP 195 Cb -0.09 -2.65 1.55 0.00 -1.46 0.00 0.00 42.92 40.27 3kiy s ASP 195 CO 0.00 -0.96 2.06 0.25 0.52 0.00 0.00 175.17 177.04 3kiy h LEU 196 N 2.65 0.00 0.00 -1.34 6.46 -1.76 0.79 115.31 122.10 3kiy h LEU 196 Ca -0.50 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.23 3kiy h LEU 196 Cb 1.25 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.18 3kiy h LEU 196 CO 0.62 0.02 -0.21 0.44 -0.62 0.00 0.00 178.44 178.70 3kiy h ASP 197 N 0.00 0.00 0.25 1.25 3.32 -1.89 -3.03 116.42 116.32 3kiy h ASP 197 Ca -0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 3kiy h ASP 197 Cb 0.42 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.00 3kiy h ASP 197 CO 0.00 0.11 -1.56 0.00 -1.72 0.00 0.00 179.24 176.08 3kiy h ALA 198 N 1.89 -0.08 0.00 3.45 0.00 -1.29 -2.29 119.26 120.94 3kiy h ALA 198 Ca -0.00 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.97 3kiy h ALA 198 Cb 1.09 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3kiy h ALA 198 CO 0.01 0.79 0.00 2.35 0.00 0.00 0.00 179.25 182.40 3kiy h TRP 199 N 0.14 0.00 0.17 0.00 7.01 -1.00 0.39 115.95 122.66 3kiy h TRP 199 Ca -0.28 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.71 3kiy h TRP 199 Cb 2.16 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 29.22 3kiy h TRP 199 CO 0.12 0.00 -0.08 1.49 -2.79 0.00 0.00 178.44 177.18 3kiy h GLU 200 N 0.00 -0.22 -0.88 2.65 4.22 -1.42 -2.69 114.58 116.24 3kiy h GLU 200 Ca 0.00 0.02 0.16 0.00 0.08 0.00 0.00 59.36 59.62 3kiy h GLU 200 Cb 0.20 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 3kiy h GLU 200 CO 0.00 -0.15 0.57 -0.24 -2.18 0.00 0.00 179.01 177.01 3kiy h VAL 201 N -0.89 0.79 -0.55 0.32 3.04 -0.82 0.22 116.25 118.37 3kiy h VAL 201 Ca -0.02 -0.21 -0.00 0.00 -1.01 0.00 0.00 66.70 65.46 3kiy h VAL 201 Cb 0.18 0.14 -0.03 0.00 -2.01 0.00 0.00 31.29 29.57 3kiy h VAL 201 CO 0.04 0.11 0.33 0.15 -1.01 0.00 0.00 177.57 177.19 3kiy h PHE 202 N 0.60 0.71 0.37 3.17 3.57 -0.28 -2.05 116.94 123.02 3kiy h PHE 202 Ca 0.45 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.94 3kiy h PHE 202 Cb 0.85 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.35 3kiy h PHE 202 CO -0.00 0.48 -0.18 1.96 -2.23 0.00 0.00 178.31 178.34 3kiy h GLN 203 N 0.75 -0.48 -0.33 1.11 1.08 -0.20 -3.04 115.11 114.01 3kiy h GLN 203 Ca 0.20 0.03 0.09 0.00 -1.45 0.00 0.00 58.65 57.52 3kiy h GLN 203 Cb -0.03 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 3kiy h GLN 203 CO -0.04 -0.17 0.25 -0.91 -0.95 0.00 0.00 178.83 177.01 3kiy h ASN 204 N -0.82 0.00 0.59 1.46 2.35 -1.31 0.36 115.58 118.22 3kiy h ASN 204 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3kiy h ASN 204 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3kiy h ASN 204 CO 0.08 0.00 0.00 -1.14 -1.65 0.00 0.00 177.43 174.72 3kiy n ARG 205 N -4.34 0.27 -3.74 0.81 0.63 -0.79 -4.78 116.66 104.72 3kiy n ARG 205 Ca 0.05 0.05 -0.20 0.00 -0.92 0.00 0.00 57.85 56.82 3kiy n ARG 205 Cb 0.42 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.80 3kiy n ARG 205 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3kiy s ILE 206 N -2.69 3.90 -1.67 5.15 -1.09 0.13 -4.92 121.20 120.00 3kiy s ILE 206 Ca 0.21 -1.23 0.00 0.00 -2.23 0.00 0.00 60.65 57.40 3kiy s ILE 206 Cb 0.17 -3.32 0.00 0.00 -1.58 0.00 0.00 42.46 37.73 3kiy s ILE 206 CO 0.41 -0.19 0.42 0.61 -1.23 0.00 0.00 174.94 174.96