#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shz n ARG 47 N 0.00 3.80 -3.32 0.00 1.74 -1.26 -4.82 116.66 112.80 1shz n ARG 47 Ca 0.00 -4.31 0.02 0.00 -0.77 0.00 0.00 57.85 52.79 1shz n ARG 47 Cb 0.00 -2.65 -0.02 0.00 -1.02 0.00 0.00 32.46 28.77 1shz n ARG 47 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1shz s GLU 48 N -1.14 0.57 -0.12 5.56 0.41 -1.26 -4.39 118.70 118.32 1shz s GLU 48 Ca 0.34 1.15 0.02 0.00 -0.41 0.00 0.00 54.97 56.07 1shz s GLU 48 Cb -0.03 0.66 0.01 0.00 -1.78 0.00 0.00 34.13 33.00 1shz s GLU 48 CO -0.01 -0.48 -0.16 0.08 -0.49 0.00 0.00 175.26 174.20 1shz s VAL 49 N 2.87 1.63 -0.22 2.63 1.01 -0.60 -4.98 120.40 122.73 1shz s VAL 49 Ca 0.12 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 1shz s VAL 49 Cb -0.14 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1shz s VAL 49 CO -0.20 0.47 0.04 -0.75 0.00 0.00 0.00 175.10 174.65 1shz s LYS 50 N 1.02 3.66 -0.00 2.72 2.20 -1.26 0.63 119.74 128.71 1shz s LYS 50 Ca -0.05 -0.49 0.07 0.00 -0.36 0.00 0.00 55.97 55.15 1shz s LYS 50 Cb -0.15 -3.21 -0.02 0.00 -1.51 0.00 0.00 37.83 32.94 1shz s LYS 50 CO -0.03 -0.07 -0.23 -1.17 -0.36 0.00 0.00 175.35 173.49 1shz s LEU 51 N 1.27 2.07 -0.17 5.43 0.20 -0.93 -1.02 118.68 125.52 1shz s LEU 51 Ca 0.04 -0.45 0.00 0.00 0.69 0.00 0.00 54.13 54.42 1shz s LEU 51 Cb -0.15 -1.17 0.01 0.00 -0.43 0.00 0.00 46.19 44.45 1shz s LEU 51 CO 0.02 0.27 -0.16 -0.76 -0.29 0.00 0.00 176.35 175.43 1shz s LEU 52 N -0.69 2.38 -0.22 -0.68 1.43 -0.47 -2.16 118.68 118.28 1shz s LEU 52 Ca 0.09 -0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 52.46 1shz s LEU 52 Cb -0.09 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 1shz s LEU 52 CO -0.00 0.05 0.61 -0.76 0.23 0.00 0.00 176.35 176.47 1shz s LEU 53 N 1.04 4.11 0.00 1.79 1.43 -0.59 -1.05 118.68 125.41 1shz s LEU 53 Ca -0.01 0.75 0.01 0.00 -1.03 0.00 0.00 54.13 53.85 1shz s LEU 53 Cb -0.15 -2.84 -0.00 0.00 0.03 0.00 0.00 46.19 43.23 1shz s LEU 53 CO -0.04 -0.29 0.04 0.18 0.23 0.00 0.00 176.35 176.47 1shz n LEU 54 N 5.24 0.00 0.00 1.79 4.77 -0.84 -3.90 117.00 124.06 1shz n LEU 54 Ca -0.02 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 1shz n LEU 54 Cb 0.50 0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1shz n LEU 54 CO 0.43 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1shz n GLY 55 N 1.32 2.89 3.66 -0.72 0.00 -1.26 -1.69 105.19 109.39 1shz n GLY 55 Ca -0.01 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 1shz n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shz s ALA 56 N -2.12 0.89 0.52 4.61 0.00 -1.26 -4.26 121.76 120.14 1shz s ALA 56 Ca 0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 51.96 51.00 1shz s ALA 56 Cb 0.00 -2.96 -0.06 0.00 0.00 0.00 0.00 23.12 20.10 1shz s ALA 56 CO 0.00 -3.19 1.23 0.20 0.00 0.00 0.00 175.76 174.00 1shz s GLY 57 N -3.83 2.79 -1.73 0.00 0.00 -1.25 -3.40 107.32 99.91 1shz s GLY 57 Ca 0.69 1.06 0.00 0.00 0.00 0.00 0.00 44.72 46.47 1shz s GLY 57 CO 0.56 1.51 0.00 1.18 0.00 0.00 0.00 173.10 176.36 1shz n GLU 58 N -0.95 -1.33 0.07 2.90 1.02 -1.26 -4.91 120.64 116.17 1shz n GLU 58 Ca 0.10 1.01 0.13 0.00 -0.02 0.00 0.00 57.16 58.38 1shz n GLU 58 Cb 0.48 -5.38 0.30 0.00 -0.02 0.00 0.00 31.44 26.81 1shz n GLU 58 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1shz n SER 59 N -1.14 0.67 0.00 1.62 3.41 -1.22 -4.88 113.62 112.08 1shz n SER 59 Ca -0.20 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1shz n SER 59 Cb 0.62 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1shz n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1shz n GLY 60 N 1.35 1.07 0.39 5.00 0.00 -1.26 -4.49 105.19 107.26 1shz n GLY 60 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 1shz n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1shz h LYS 61 N 1.19 -0.26 0.00 1.61 1.57 -1.92 -0.06 116.57 118.70 1shz h LYS 61 Ca 0.00 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1shz h LYS 61 Cb 0.00 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1shz h LYS 61 CO 0.00 -0.17 -0.26 0.77 -0.57 0.00 0.00 179.45 179.22 1shz h SER 62 N -0.27 0.00 -0.33 0.86 0.02 -1.96 -1.23 113.55 110.64 1shz h SER 62 Ca 0.16 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1shz h SER 62 Cb 0.57 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 1shz h SER 62 CO -0.65 0.26 0.14 0.74 -1.14 0.00 0.00 176.83 176.18 1shz h THR 63 N 0.00 1.16 -0.09 -2.27 2.02 -1.39 -2.29 112.91 110.06 1shz h THR 63 Ca -0.00 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 1shz h THR 63 Cb 0.52 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1shz h THR 63 CO 0.03 0.20 0.04 -0.26 0.37 0.00 0.00 175.52 175.90 1shz h PHE 64 N 0.55 0.12 -0.48 3.16 -1.00 -0.44 -2.50 116.94 116.36 1shz h PHE 64 Ca 0.13 -0.01 0.09 0.00 2.81 0.00 0.00 57.97 61.00 1shz h PHE 64 Cb 0.14 -0.04 -0.08 0.00 3.61 0.00 0.00 35.95 39.58 1shz h PHE 64 CO 0.01 0.20 -0.04 -0.07 -1.61 0.00 0.00 178.31 176.80 1shz h LEU 65 N 0.01 -0.28 -0.69 1.54 3.38 -1.26 0.62 115.31 118.64 1shz h LEU 65 Ca 0.03 0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.21 1shz h LEU 65 Cb 0.12 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 1shz h LEU 65 CO -0.00 -0.10 0.33 0.11 0.09 0.00 0.00 178.44 178.87 1shz h LYS 66 N 0.07 0.55 -0.62 1.13 1.57 -1.32 0.23 116.57 118.18 1shz h LYS 66 Ca 0.24 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 1shz h LYS 66 Cb 0.36 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 1shz h LYS 66 CO -0.43 0.36 0.39 1.96 -0.57 0.00 0.00 179.45 181.16 1shz h GLN 67 N 0.57 0.74 0.11 3.15 1.08 -0.51 0.12 115.11 120.37 1shz h GLN 67 Ca 0.34 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 1shz h GLN 67 Cb 0.37 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 1shz h GLN 67 CO -0.27 0.49 -0.10 0.52 -0.95 0.00 0.00 178.83 178.51 1shz h MET 68 N 0.76 -0.22 -0.33 1.46 2.86 0.55 0.12 114.93 120.13 1shz h MET 68 Ca 0.25 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.95 1shz h MET 68 Cb 0.01 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1shz h MET 68 CO -0.10 -0.15 0.22 -0.09 1.06 0.00 0.00 176.91 177.86 1shz h ARG 69 N -0.23 0.26 0.11 1.72 2.43 0.01 0.34 114.38 119.02 1shz h ARG 69 Ca 0.00 -0.02 -0.27 0.00 -0.81 0.00 0.00 59.98 58.89 1shz h ARG 69 Cb 0.22 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1shz h ARG 69 CO -0.03 0.17 -1.18 0.82 -1.51 0.00 0.00 179.97 178.24 1shz h ILE 70 N 0.27 1.40 0.00 1.20 2.04 -0.14 -2.84 117.51 119.45 1shz h ILE 70 Ca 0.14 -2.72 0.00 0.00 1.00 0.00 0.00 64.86 63.28 1shz h ILE 70 Cb 0.22 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 1shz h ILE 70 CO -0.03 0.81 -1.38 2.30 0.00 0.00 0.00 178.15 179.85 1shz n ILE 71 N -3.67 0.30 0.04 -0.67 -5.35 0.37 -4.59 119.36 105.79 1shz n ILE 71 Ca -0.10 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 61.91 1shz n ILE 71 Cb 0.97 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.77 1shz n ILE 71 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1shz n HIS 72 N -2.38 -0.21 -0.07 4.28 8.25 0.12 -5.07 115.22 120.13 1shz n HIS 72 Ca -0.01 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1shz n HIS 72 Cb 0.53 0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.73 1shz n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1shz n GLY 73 N 3.02 0.91 3.59 -1.41 0.00 -1.08 -4.92 105.19 105.29 1shz n GLY 73 Ca 0.00 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 1shz n GLY 73 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1shz s GLN 74 N 0.28 3.23 0.35 1.61 0.74 -1.22 -4.71 119.66 119.94 1shz s GLN 74 Ca 0.00 1.01 -0.28 0.00 0.05 0.00 0.00 55.36 56.13 1shz s GLN 74 Cb 0.00 -4.19 -0.10 0.00 1.10 0.00 0.00 33.01 29.82 1shz s GLN 74 CO 0.00 -1.99 1.30 0.34 -0.55 0.00 0.00 175.29 174.39 1shz s ASP 75 N 5.80 6.67 -0.61 6.67 -1.08 -1.19 -4.64 116.67 128.28 1shz s ASP 75 Ca 0.69 2.67 -0.36 0.00 -0.52 0.00 0.00 52.55 55.04 1shz s ASP 75 Cb -0.17 -2.65 -0.16 0.00 -1.46 0.00 0.00 42.92 38.48 1shz s ASP 75 CO 0.29 -0.61 2.36 0.49 0.52 0.00 0.00 175.17 178.23 1shz n PHE 76 N 0.63 1.13 -1.11 -5.34 3.72 -1.26 -4.98 117.46 110.25 1shz n PHE 76 Ca 0.01 0.44 -0.31 0.00 -0.05 0.00 0.00 57.45 57.54 1shz n PHE 76 Cb 0.42 -2.42 0.12 0.00 -0.94 0.00 0.00 39.48 36.65 1shz n PHE 76 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1shz s ASP 77 N 7.99 3.99 0.23 4.37 -4.77 -1.26 -4.73 116.67 122.48 1shz s ASP 77 Ca 1.20 1.89 -0.06 0.00 -3.30 0.00 0.00 52.55 52.27 1shz s ASP 77 Cb -1.10 -2.50 0.40 0.00 -1.09 0.00 0.00 42.92 38.62 1shz s ASP 77 CO 0.52 -2.38 1.71 0.06 0.70 0.00 0.00 175.17 175.78 1shz h GLN 78 N -1.37 0.31 0.00 2.11 -0.00 -1.99 0.25 115.11 114.42 1shz h GLN 78 Ca -0.44 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 58.15 1shz h GLN 78 Cb 1.25 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 28.65 1shz h GLN 78 CO 0.49 0.21 -0.21 0.07 -0.00 0.00 0.00 178.83 179.39 1shz h ARG 79 N 0.32 0.00 -0.26 0.06 0.11 -2.01 -2.22 114.38 110.39 1shz h ARG 79 Ca 0.38 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.27 1shz h ARG 79 Cb 0.60 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.68 1shz h ARG 79 CO -0.44 0.21 -0.57 0.00 0.10 0.00 0.00 179.97 179.27 1shz h ALA 80 N 1.79 0.42 -0.15 0.08 0.00 -0.90 -3.14 119.26 117.36 1shz h ALA 80 Ca -0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 1shz h ALA 80 Cb 0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1shz h ALA 80 CO 0.03 0.65 -0.29 0.00 0.00 0.00 0.00 179.25 179.64 1shz h ARG 81 N 0.62 0.28 -0.92 0.00 3.08 -0.65 -2.70 114.38 114.09 1shz h ARG 81 Ca 0.00 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1shz h ARG 81 Cb 1.18 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.17 1shz h ARG 81 CO 0.13 0.55 0.55 0.93 -1.07 0.00 0.00 179.97 181.06 1shz h GLU 82 N 0.25 1.26 -0.43 0.04 5.08 -1.39 -0.87 114.58 118.53 1shz h GLU 82 Ca 0.04 -0.12 0.12 0.00 -1.00 0.00 0.00 59.36 58.40 1shz h GLU 82 Cb 0.64 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1shz h GLU 82 CO 0.05 0.88 0.52 0.93 -1.00 0.00 0.00 179.01 180.38 1shz h GLU 83 N 1.28 0.00 -0.00 2.33 5.08 -1.46 0.46 114.58 122.27 1shz h GLU 83 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1shz h GLU 83 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1shz h GLU 83 CO -0.06 0.00 -0.17 1.19 -1.00 0.00 0.00 179.01 178.97 1shz n PHE 84 N -3.56 0.00 0.42 4.33 3.01 -0.33 -4.20 117.46 117.12 1shz n PHE 84 Ca 0.08 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.37 1shz n PHE 84 Cb 0.69 -0.29 -0.08 0.00 -0.01 0.00 0.00 39.48 39.79 1shz n PHE 84 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1shz h ARG 85 N 0.26 -1.04 -0.08 -1.08 2.43 -0.13 -1.65 114.38 113.08 1shz h ARG 85 Ca 0.00 0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1shz h ARG 85 Cb 0.43 0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1shz h ARG 85 CO 0.00 -0.69 0.31 -1.00 -1.51 0.00 0.00 179.97 177.08 1shz h PRO 86 N -1.22 0.00 0.09 0.20 0.13 -1.74 0.69 132.00 130.15 1shz h PRO 86 Ca -0.11 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.70 1shz h PRO 86 Cb 0.83 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.93 1shz h PRO 86 CO 0.18 0.00 -1.69 0.00 -0.23 0.00 0.00 178.00 176.26 1shz h THR 87 N 0.00 0.94 -0.61 1.56 1.03 -1.71 0.25 112.91 114.37 1shz h THR 87 Ca 0.04 -2.66 -0.05 0.00 -0.01 0.00 0.00 66.41 63.73 1shz h THR 87 Cb 0.66 2.60 -0.03 0.00 -1.07 0.00 0.00 68.15 70.32 1shz h THR 87 CO -0.00 0.76 0.18 0.40 -0.01 0.00 0.00 175.52 176.85 1shz h ILE 88 N 0.05 1.25 0.00 0.00 2.04 0.08 -0.83 117.51 120.10 1shz h ILE 88 Ca -0.30 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 64.67 1shz h ILE 88 Cb 2.02 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 1shz h ILE 88 CO 0.12 0.32 -0.20 1.88 0.00 0.00 0.00 178.15 180.28 1shz h TYR 89 N 0.87 0.00 0.00 1.37 0.99 -1.36 -2.11 116.97 116.74 1shz h TYR 89 Ca 0.19 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.92 1shz h TYR 89 Cb 0.31 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.04 1shz h TYR 89 CO 0.02 0.20 -0.01 1.03 -0.00 0.00 0.00 178.16 179.40 1shz h SER 90 N 0.00 0.00 0.29 3.88 0.87 -1.20 -2.57 113.55 114.82 1shz h SER 90 Ca -0.00 -0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.22 1shz h SER 90 Cb 0.42 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.41 1shz h SER 90 CO 0.03 0.00 -1.51 0.78 -0.53 0.00 0.00 176.83 175.59 1shz h ASN 91 N 0.00 0.77 0.66 6.23 2.35 -0.53 -3.15 115.58 121.90 1shz h ASN 91 Ca 0.00 -0.87 -0.03 0.00 -0.55 0.00 0.00 56.30 54.85 1shz h ASN 91 Cb 0.94 -0.25 0.01 0.00 0.05 0.00 0.00 38.32 39.07 1shz h ASN 91 CO 0.00 1.69 -0.32 0.58 -1.65 0.00 0.00 177.43 177.73 1shz h VAL 92 N 0.13 0.19 -0.87 2.81 2.07 -1.46 0.03 116.25 119.15 1shz h VAL 92 Ca -0.26 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1shz h VAL 92 Cb 2.14 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 1shz h VAL 92 CO 0.25 0.02 0.44 -0.29 0.02 0.00 0.00 177.57 178.02 1shz h ILE 93 N -1.11 1.26 0.02 4.57 2.10 -1.63 -1.17 117.51 121.54 1shz h ILE 93 Ca -0.09 -0.69 -0.20 0.00 1.08 0.00 0.00 64.86 64.95 1shz h ILE 93 Cb 0.71 0.12 -0.01 0.00 -1.09 0.00 0.00 36.82 36.55 1shz h ILE 93 CO 0.15 0.30 -0.92 0.11 -1.08 0.00 0.00 178.15 176.71 1shz h LYS 94 N 1.23 0.15 -0.64 2.19 1.57 -1.61 -1.68 116.57 117.77 1shz h LYS 94 Ca 0.30 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1shz h LYS 94 Cb 0.08 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1shz h LYS 94 CO -0.04 0.97 0.29 0.78 -0.57 0.00 0.00 179.45 180.87 1shz h GLY 95 N 2.05 1.01 0.96 3.86 0.00 -0.65 -2.10 103.07 108.20 1shz h GLY 95 Ca -0.04 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 1shz h GLY 95 CO 0.14 0.49 0.01 1.98 0.00 0.00 0.00 176.54 179.16 1shz h MET 96 N 0.89 0.75 -0.80 4.80 1.85 -1.16 -2.08 114.93 119.19 1shz h MET 96 Ca 0.22 -0.23 0.19 0.00 -0.61 0.00 0.00 59.70 59.26 1shz h MET 96 Cb 0.16 -0.07 -0.12 0.00 0.43 0.00 0.00 31.60 31.99 1shz h MET 96 CO -0.02 0.82 0.21 0.00 -0.40 0.00 0.00 176.91 177.51 1shz h ARG 97 N 0.60 0.25 -0.61 0.39 2.47 -0.81 0.13 114.38 116.79 1shz h ARG 97 Ca 0.12 -0.01 -0.10 0.00 -1.26 0.00 0.00 59.98 58.73 1shz h ARG 97 Cb 0.47 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 1shz h ARG 97 CO 0.02 0.16 0.00 0.28 0.56 0.00 0.00 179.97 180.99 1shz h VAL 98 N 0.25 1.27 -0.01 2.04 2.07 -0.96 -2.22 116.25 118.68 1shz h VAL 98 Ca 0.47 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1shz h VAL 98 Cb 0.87 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1shz h VAL 98 CO -0.57 0.42 0.01 -0.07 0.02 0.00 0.00 177.57 177.38 1shz h LEU 99 N 0.99 0.02 -1.54 2.57 4.07 -0.14 0.11 115.31 121.38 1shz h LEU 99 Ca 0.17 -0.08 -0.03 0.00 0.08 0.00 0.00 57.88 58.03 1shz h LEU 99 Cb 0.56 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 1shz h LEU 99 CO 0.03 0.09 0.01 -0.37 -1.08 0.00 0.00 178.44 177.12 1shz h VAL 100 N -0.06 1.13 -0.02 1.22 -1.51 -1.06 0.21 116.25 116.16 1shz h VAL 100 Ca 0.00 -0.49 -0.18 0.00 -1.23 0.00 0.00 66.70 64.80 1shz h VAL 100 Cb 0.08 0.96 -0.01 0.00 -2.13 0.00 0.00 31.29 30.19 1shz h VAL 100 CO -0.00 0.17 -0.80 -0.78 -1.23 0.00 0.00 177.57 174.93 1shz h ASP 101 N 0.30 0.25 -0.54 4.19 1.82 -1.17 -2.98 116.42 118.29 1shz h ASP 101 Ca 0.07 -0.18 -0.10 0.00 -0.39 0.00 0.00 57.03 56.43 1shz h ASP 101 Cb 0.19 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.11 1shz h ASP 101 CO 0.00 0.95 -0.05 0.00 -1.61 0.00 0.00 179.24 178.53 1shz h ALA 102 N 1.04 0.74 0.20 -0.78 0.00 0.13 -1.24 119.26 119.36 1shz h ALA 102 Ca -0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1shz h ALA 102 Cb 1.39 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1shz h ALA 102 CO 0.12 0.60 -0.10 -0.09 0.00 0.00 0.00 179.25 179.79 1shz h ARG 103 N 0.87 -0.26 -0.49 0.00 2.43 -0.64 0.53 114.38 116.81 1shz h ARG 103 Ca 0.15 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1shz h ARG 103 Cb 0.60 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1shz h ARG 103 CO 0.04 -0.17 -0.01 1.49 -1.51 0.00 0.00 179.97 179.81 1shz h GLU 104 N -0.28 0.87 0.22 0.20 4.81 -1.48 0.26 114.58 119.17 1shz h GLU 104 Ca -0.03 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 1shz h GLU 104 Cb 0.22 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1shz h GLU 104 CO 0.05 0.92 -0.10 0.87 -0.73 0.00 0.00 179.01 180.01 1shz h LYS 105 N 0.73 -0.28 0.00 1.92 6.56 -1.08 -2.72 116.57 121.70 1shz h LYS 105 Ca 0.14 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.75 1shz h LYS 105 Cb 0.53 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 1shz h LYS 105 CO 0.03 0.02 0.00 1.28 -2.06 0.00 0.00 179.45 178.72 1shz n LEU 106 N -5.09 0.00 -2.93 2.94 4.77 0.18 -4.88 117.00 112.00 1shz n LEU 106 Ca -0.09 0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 1shz n LEU 106 Cb 0.23 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1shz n LEU 106 CO 0.32 -0.08 0.08 1.41 -1.33 0.00 0.00 177.39 177.78 1shz n HIS 107 N -1.17 -1.78 -3.51 -1.77 8.25 -0.45 -5.00 115.22 109.78 1shz n HIS 107 Ca 0.09 0.74 -0.41 0.00 -0.26 0.00 0.00 57.72 57.88 1shz n HIS 107 Cb 0.10 -4.34 -0.10 0.00 1.12 0.00 0.00 29.99 26.76 1shz n HIS 107 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1shz s ILE 108 N -3.29 5.23 0.31 1.59 -1.09 -0.05 -5.04 121.20 118.86 1shz s ILE 108 Ca 0.06 -0.39 -0.29 0.00 -2.23 0.00 0.00 60.65 57.80 1shz s ILE 108 Cb -0.01 -3.77 -0.12 0.00 -1.58 0.00 0.00 42.46 36.98 1shz s ILE 108 CO 0.58 -0.11 1.37 -2.65 -1.23 0.00 0.00 174.94 172.90 1shz n PRO 109 N 5.12 2.21 -0.66 2.79 -0.02 -1.26 -4.77 135.00 138.41 1shz n PRO 109 Ca -0.12 0.78 -0.30 0.00 -2.02 0.00 0.00 63.50 61.84 1shz n PRO 109 Cb 0.49 -2.42 0.20 0.00 -0.02 0.00 0.00 33.50 31.75 1shz n PRO 109 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1shz s TRP 110 N -0.70 1.53 -1.65 6.00 0.52 -1.26 -4.17 118.94 119.22 1shz s TRP 110 Ca 0.60 1.48 0.18 0.00 0.02 0.00 0.00 56.10 58.38 1shz s TRP 110 Cb -0.57 -3.21 -0.01 0.00 -1.15 0.00 0.00 33.47 28.52 1shz s TRP 110 CO 0.57 -3.29 0.93 0.41 0.02 0.00 0.00 176.95 175.60 1shz n GLY 111 N 0.41 -0.03 3.21 0.98 0.00 -1.26 -4.63 105.19 103.86 1shz n GLY 111 Ca 0.07 -0.52 0.04 0.00 0.00 0.00 0.00 46.02 45.61 1shz n GLY 111 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1shz s ASP 112 N -2.11 -0.89 0.22 1.61 -1.08 -1.26 -4.75 116.67 108.41 1shz s ASP 112 Ca 0.15 0.67 0.19 0.00 -0.52 0.00 0.00 52.55 53.04 1shz s ASP 112 Cb 0.15 1.79 0.90 0.00 -1.46 0.00 0.00 42.92 44.30 1shz s ASP 112 CO 0.47 -0.17 1.58 0.59 0.52 0.00 0.00 175.17 178.16 1shz n ASN 113 N 5.39 0.48 0.20 -0.34 3.02 -1.26 -2.10 115.26 120.64 1shz n ASN 113 Ca -0.05 0.67 0.04 0.00 -0.03 0.00 0.00 54.58 55.20 1shz n ASN 113 Cb 0.52 -0.75 0.41 0.00 -0.61 0.00 0.00 39.78 39.35 1shz n ASN 113 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1shz h LYS 114 N 0.00 0.00 0.00 3.52 3.64 -2.01 -2.62 116.57 119.10 1shz h LYS 114 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1shz h LYS 114 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1shz h LYS 114 CO 0.00 0.33 0.00 0.09 -2.27 0.00 0.00 179.45 177.60 1shz n ASN 115 N -4.03 0.00 0.20 4.20 3.02 -0.89 -3.14 115.26 114.62 1shz n ASN 115 Ca -0.02 -0.58 0.05 0.00 -0.03 0.00 0.00 54.58 53.99 1shz n ASN 115 Cb 0.38 -0.07 0.40 0.00 -0.61 0.00 0.00 39.78 39.88 1shz n ASN 115 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1shz h GLN 116 N 0.00 0.00 0.00 3.52 1.08 -1.66 -0.92 115.11 117.13 1shz h GLN 116 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1shz h GLN 116 Cb 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1shz h GLN 116 CO 0.00 0.35 0.00 1.25 -0.95 0.00 0.00 178.83 179.48 1shz h LEU 117 N 0.00 0.00 0.08 1.46 5.85 -1.77 -2.92 115.31 118.00 1shz h LEU 117 Ca -0.00 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.46 1shz h LEU 117 Cb 0.69 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 1shz h LEU 117 CO 0.05 0.00 -1.18 0.45 -0.34 0.00 0.00 178.44 177.42 1shz h HIS 118 N 0.00 0.42 -0.58 1.25 3.86 -1.43 -3.24 115.15 115.43 1shz h HIS 118 Ca 0.00 -0.30 -0.07 0.00 -1.16 0.00 0.00 60.37 58.84 1shz h HIS 118 Cb 0.95 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.37 1shz h HIS 118 CO 0.00 1.22 0.08 0.78 0.86 0.00 0.00 177.93 180.87 1shz h GLY 119 N 1.79 1.01 0.83 2.45 0.00 -1.06 -3.05 103.07 105.04 1shz h GLY 119 Ca -0.11 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 1shz h GLY 119 CO 0.19 0.60 0.02 -0.55 0.00 0.00 0.00 176.54 176.80 1shz h ASP 120 N 0.88 0.08 -1.00 0.19 3.32 -1.59 -1.98 116.42 116.33 1shz h ASP 120 Ca 0.18 -0.19 0.24 0.00 0.02 0.00 0.00 57.03 57.28 1shz h ASP 120 Cb 0.41 -0.02 -0.12 0.00 0.22 0.00 0.00 39.33 39.82 1shz h ASP 120 CO 0.01 0.24 0.59 0.50 -1.72 0.00 0.00 179.24 178.87 1shz h LYS 121 N -0.09 0.57 -0.04 3.56 1.63 -1.56 0.69 116.57 121.33 1shz h LYS 121 Ca 0.02 -0.03 -0.25 0.00 -0.85 0.00 0.00 60.65 59.53 1shz h LYS 121 Cb 0.19 -0.13 0.02 0.00 -0.60 0.00 0.00 32.23 31.71 1shz h LYS 121 CO -0.00 0.38 -0.97 -0.07 -3.45 0.00 0.00 179.45 175.33 1shz h LEU 122 N 0.58 0.88 -1.68 5.20 3.38 -1.40 -3.07 115.31 119.21 1shz h LEU 122 Ca 0.64 -0.67 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1shz h LEU 122 Cb 1.21 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1shz h LEU 122 CO -0.47 1.47 -0.13 0.24 0.09 0.00 0.00 178.44 179.64 1shz h MET 123 N 0.41 0.00 -0.12 1.13 2.86 -0.32 -2.48 114.93 116.43 1shz h MET 123 Ca -0.11 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 1shz h MET 123 Cb 1.62 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.26 1shz h MET 123 CO 0.19 0.13 -0.30 0.00 1.06 0.00 0.00 176.91 177.99 1shz h ALA 124 N 1.87 1.28 -1.46 6.32 0.00 -0.84 -3.44 119.26 122.99 1shz h ALA 124 Ca -0.00 -0.33 -0.72 0.00 0.00 0.00 0.00 54.91 53.86 1shz h ALA 124 Cb 0.46 -0.09 0.05 0.00 0.00 0.00 0.00 17.79 18.22 1shz h ALA 124 CO 0.02 0.49 0.38 0.34 0.00 0.00 0.00 179.25 180.48 1shz n PHE 125 N -4.13 1.32 -3.26 0.00 7.35 -0.93 -4.91 117.46 112.90 1shz n PHE 125 Ca -0.01 0.76 -0.41 0.00 -0.76 0.00 0.00 57.45 57.03 1shz n PHE 125 Cb 0.39 -2.27 -0.08 0.00 0.35 0.00 0.00 39.48 37.87 1shz n PHE 125 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1shz s ASP 126 N 0.64 6.34 0.00 -2.13 -1.08 -1.26 -4.95 116.67 114.22 1shz s ASP 126 Ca 0.88 0.17 0.25 0.00 -0.52 0.00 0.00 52.55 53.33 1shz s ASP 126 Cb -1.06 -2.26 0.52 0.00 -1.46 0.00 0.00 42.92 38.65 1shz s ASP 126 CO 0.52 -0.38 1.42 1.07 0.52 0.00 0.00 175.17 178.32 1shz n THR 127 N 5.31 0.00 1.14 1.71 5.66 -1.26 -4.04 114.28 122.80 1shz n THR 127 Ca -0.05 -0.03 0.13 0.00 -3.05 0.00 0.00 64.05 61.04 1shz n THR 127 Cb 0.49 0.34 0.21 0.00 -1.55 0.00 0.00 70.33 69.82 1shz n THR 127 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1shz n ARG 128 N -1.29 2.07 -1.46 1.09 1.74 -1.26 -3.43 116.66 114.13 1shz n ARG 128 Ca 0.07 -1.60 -0.33 0.00 -0.77 0.00 0.00 57.85 55.22 1shz n ARG 128 Cb 0.34 -1.47 0.08 0.00 -1.02 0.00 0.00 32.46 30.40 1shz n ARG 128 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1shz s ALA 129 N -2.03 2.20 0.17 7.54 0.00 -1.26 -4.63 121.76 123.75 1shz s ALA 129 Ca 0.30 0.67 -0.28 0.00 0.00 0.00 0.00 51.96 52.65 1shz s ALA 129 Cb 0.20 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1shz s ALA 129 CO 0.33 -1.73 1.55 -1.35 0.00 0.00 0.00 175.76 174.55 1shz h PRO 130 N -0.41 -0.06 0.01 0.00 0.11 -1.95 0.66 132.00 130.36 1shz h PRO 130 Ca -0.46 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.38 1shz h PRO 130 Cb 1.27 0.01 0.02 0.00 0.11 0.00 0.00 31.00 32.41 1shz h PRO 130 CO 0.51 -0.04 -1.05 1.98 -0.21 0.00 0.00 178.00 179.18 1shz h MET 131 N -0.06 0.66 0.00 1.05 4.05 -1.92 -2.94 114.93 115.77 1shz h MET 131 Ca 0.19 -0.73 -0.05 0.00 -0.28 0.00 0.00 59.70 58.84 1shz h MET 131 Cb 0.48 0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.49 1shz h MET 131 CO -0.89 1.31 -0.23 0.00 0.23 0.00 0.00 176.91 177.33 1shz h ALA 132 N 0.43 1.22 -0.14 0.39 0.00 -1.48 -1.82 119.26 117.86 1shz h ALA 132 Ca -0.13 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.40 1shz h ALA 132 Cb 1.71 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1shz h ALA 132 CO 0.20 0.29 -0.61 0.00 0.00 0.00 0.00 179.25 179.13 1shz h ALA 133 N 1.77 0.68 0.00 0.00 0.00 0.35 -2.43 119.26 119.63 1shz h ALA 133 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1shz h ALA 133 Cb 0.56 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1shz h ALA 133 CO 0.03 0.71 0.00 1.04 0.00 0.00 0.00 179.25 181.03 1shz n GLN 134 N -3.92 0.92 -3.08 0.00 6.02 -0.90 -4.85 117.38 111.57 1shz n GLN 134 Ca -0.04 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.80 1shz n GLN 134 Cb 0.64 -1.04 0.04 0.00 1.02 0.00 0.00 30.24 30.90 1shz n GLN 134 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1shz n GLY 135 N 0.39 -0.03 3.15 1.08 0.00 -0.91 -5.03 105.19 103.83 1shz n GLY 135 Ca 0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 1shz n GLY 135 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1shz s MET 136 N -5.70 0.80 -0.07 1.61 1.00 -0.74 -4.24 119.30 111.97 1shz s MET 136 Ca 0.33 -0.88 -0.03 0.00 0.00 0.00 0.00 55.69 55.11 1shz s MET 136 Cb -0.15 -0.78 0.04 0.00 0.00 0.00 0.00 34.83 33.95 1shz s MET 136 CO 0.41 0.18 0.13 0.08 0.00 0.00 0.00 175.02 175.82 1shz s VAL 137 N -1.19 -0.20 0.68 -6.03 1.01 0.87 -3.40 120.40 112.16 1shz s VAL 137 Ca -0.02 0.35 -0.15 0.00 0.00 0.00 0.00 61.98 62.15 1shz s VAL 137 Cb -0.09 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.05 1shz s VAL 137 CO 0.02 0.14 1.16 -0.70 0.00 0.00 0.00 175.10 175.72 1shz s GLU 138 N 2.09 2.53 0.17 2.72 2.12 -1.26 -4.34 118.70 122.72 1shz s GLU 138 Ca 0.02 1.58 -0.12 0.00 0.36 0.00 0.00 54.97 56.81 1shz s GLU 138 Cb -0.12 -1.90 0.07 0.00 0.26 0.00 0.00 34.13 32.44 1shz s GLU 138 CO -0.05 -1.50 1.74 1.15 -0.54 0.00 0.00 175.26 176.05 1shz h THR 139 N -0.04 1.22 -0.66 -1.70 2.02 -1.98 0.01 112.91 111.79 1shz h THR 139 Ca -0.47 -0.67 0.13 0.00 0.77 0.00 0.00 66.41 66.16 1shz h THR 139 Cb 1.27 0.57 -0.09 0.00 -1.74 0.00 0.00 68.15 68.16 1shz h THR 139 CO 0.52 0.26 0.17 -0.09 0.37 0.00 0.00 175.52 176.76 1shz h ARG 140 N 0.81 0.30 0.13 6.66 1.12 -1.99 -0.75 114.38 120.65 1shz h ARG 140 Ca 0.20 -0.02 -0.29 0.00 -1.11 0.00 0.00 59.98 58.76 1shz h ARG 140 Cb 0.18 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.07 1shz h ARG 140 CO -0.02 0.20 -1.36 -0.24 -3.11 0.00 0.00 179.97 175.43 1shz h VAL 141 N 0.30 1.36 -0.30 0.20 3.04 -1.89 -3.27 116.25 115.69 1shz h VAL 141 Ca 0.35 -2.95 0.03 0.00 -1.01 0.00 0.00 66.70 63.12 1shz h VAL 141 Cb 0.54 2.88 -0.03 0.00 -2.01 0.00 0.00 31.29 32.67 1shz h VAL 141 CO -0.42 0.86 0.12 0.15 -1.01 0.00 0.00 177.57 177.27 1shz h PHE 142 N 0.08 0.22 0.00 3.17 3.57 -0.51 0.67 116.94 124.14 1shz h PHE 142 Ca -0.18 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1shz h PHE 142 Cb 2.00 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.69 1shz h PHE 142 CO 0.07 0.11 0.00 1.28 -2.23 0.00 0.00 178.31 177.54 1shz n LEU 143 N -5.00 0.56 0.04 0.59 4.32 -0.33 -0.35 117.00 116.83 1shz n LEU 143 Ca -0.00 0.76 0.13 0.00 -0.02 0.00 0.00 56.01 56.88 1shz n LEU 143 Cb 0.09 -0.83 0.40 0.00 -1.62 0.00 0.00 43.42 41.47 1shz n LEU 143 CO 0.29 -0.94 0.72 0.00 -1.22 0.00 0.00 177.39 176.24 1shz n GLN 144 N -2.25 0.13 -0.00 3.23 1.13 0.22 -3.86 117.38 115.98 1shz n GLN 144 Ca -0.01 0.08 0.03 0.00 -1.94 0.00 0.00 57.00 55.15 1shz n GLN 144 Cb 0.04 -1.63 -0.04 0.00 0.11 0.00 0.00 30.24 28.72 1shz n GLN 144 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1shz n TYR 145 N -1.84 0.00 -0.28 1.08 4.02 0.53 -4.72 117.16 115.94 1shz n TYR 145 Ca 0.06 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.05 1shz n TYR 145 Cb 0.39 -0.07 0.25 0.00 -0.02 0.00 0.00 39.34 39.88 1shz n TYR 145 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1shz h LEU 146 N 0.00 -0.01 -0.58 7.72 5.85 -1.49 -0.70 115.31 126.10 1shz h LEU 146 Ca 0.00 0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1shz h LEU 146 Cb 0.21 0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 1shz h LEU 146 CO 0.00 -0.12 0.34 -0.65 -0.34 0.00 0.00 178.44 177.68 1shz h PRO 147 N 0.23 0.66 -0.09 5.25 0.11 -1.85 -0.08 132.00 136.23 1shz h PRO 147 Ca 0.51 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.43 1shz h PRO 147 Cb 0.97 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 1shz h PRO 147 CO -0.61 0.44 -0.57 0.00 -0.21 0.00 0.00 178.00 177.04 1shz h ALA 148 N 1.26 0.86 -0.33 -0.75 0.00 -1.58 -2.72 119.26 116.01 1shz h ALA 148 Ca 0.24 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1shz h ALA 148 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1shz h ALA 148 CO -0.11 0.71 -0.23 0.82 0.00 0.00 0.00 179.25 180.44 1shz h ILE 149 N 0.21 1.29 -0.30 0.00 2.04 -0.77 -0.20 117.51 119.77 1shz h ILE 149 Ca -0.00 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.47 1shz h ILE 149 Cb 1.07 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 1shz h ILE 149 CO 0.09 0.45 0.14 0.03 0.00 0.00 0.00 178.15 178.86 1shz h ARG 150 N 0.51 0.44 0.09 2.37 3.08 -1.03 -1.02 114.38 118.83 1shz h ARG 150 Ca 0.06 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1shz h ARG 150 Cb 0.79 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1shz h ARG 150 CO 0.06 0.43 -0.05 0.00 -1.07 0.00 0.00 179.97 179.34 1shz h ALA 151 N 0.99 -0.13 0.00 0.04 0.00 -1.46 -2.41 119.26 116.29 1shz h ALA 151 Ca 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1shz h ALA 151 Cb 0.14 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1shz h ALA 151 CO -0.01 -0.47 -0.06 -0.07 0.00 0.00 0.00 179.25 178.64 1shz h LEU 152 N -0.33 0.00 -0.38 0.00 3.38 -1.02 -2.08 115.31 114.87 1shz h LEU 152 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 1shz h LEU 152 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1shz h LEU 152 CO 0.02 0.06 -0.82 -0.25 0.09 0.00 0.00 178.44 177.55 1shz h TRP 153 N 0.00 0.12 0.00 1.13 -0.00 -0.81 -3.16 115.95 113.24 1shz h TRP 153 Ca -0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 58.89 58.82 1shz h TRP 153 Cb 0.18 -0.01 0.00 0.00 -0.00 0.00 0.00 29.16 29.32 1shz h TRP 153 CO 0.00 0.86 -0.47 -1.91 -0.00 0.00 0.00 178.44 176.92 1shz n GLU 154 N -3.63 0.03 -1.74 2.65 4.07 -0.83 -4.74 120.64 116.45 1shz n GLU 154 Ca -0.02 0.01 -0.38 0.00 -0.06 0.00 0.00 57.16 56.71 1shz n GLU 154 Cb 0.77 -1.52 0.05 0.00 -0.06 0.00 0.00 31.44 30.69 1shz n GLU 154 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1shz n ASP 155 N -1.55 2.46 0.08 4.31 2.03 -0.91 -4.93 116.55 118.05 1shz n ASP 155 Ca 0.05 0.92 -0.19 0.00 0.52 0.00 0.00 54.79 56.10 1shz n ASP 155 Cb 0.34 -1.57 -0.11 0.00 -0.72 0.00 0.00 41.12 39.07 1shz n ASP 155 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1shz h SER 156 N 1.11 0.73 -0.45 1.67 4.64 -1.89 -3.16 113.55 116.20 1shz h SER 156 Ca -0.51 -0.66 0.00 0.00 -0.47 0.00 0.00 61.79 60.15 1shz h SER 156 Cb 1.32 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 1shz h SER 156 CO 0.56 1.47 0.28 1.23 -0.87 0.00 0.00 176.83 179.50 1shz h GLY 157 N 0.74 0.64 1.29 -0.77 0.00 -1.82 -2.15 103.07 100.98 1shz h GLY 157 Ca -0.15 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 1shz h GLY 157 CO 0.21 0.25 0.05 -2.22 0.00 0.00 0.00 176.54 174.83 1shz h ILE 158 N 0.60 1.24 -0.38 2.60 5.03 -1.83 -2.73 117.51 122.06 1shz h ILE 158 Ca 0.16 -0.97 -0.00 0.00 -0.12 0.00 0.00 64.86 63.93 1shz h ILE 158 Cb -0.04 0.77 -0.02 0.00 -3.03 0.00 0.00 36.82 34.51 1shz h ILE 158 CO -0.03 0.35 0.22 -0.61 -0.68 0.00 0.00 178.15 177.39 1shz h GLN 159 N 0.82 0.52 0.00 2.37 5.75 -1.44 -1.85 115.11 121.29 1shz h GLN 159 Ca 0.17 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 1shz h GLN 159 Cb 0.41 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.86 1shz h GLN 159 CO 0.01 0.41 -0.06 -0.91 -2.65 0.00 0.00 178.83 175.63 1shz h ASN 160 N 0.48 0.00 0.14 -0.69 -0.26 -1.19 -1.13 115.58 112.93 1shz h ASN 160 Ca 0.13 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.87 1shz h ASN 160 Cb 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.29 1shz h ASN 160 CO -0.02 0.06 -0.07 0.00 -1.06 0.00 0.00 177.43 176.34 1shz h ALA 161 N 1.94 -0.19 -0.49 -0.83 0.00 -1.06 -2.88 119.26 115.74 1shz h ALA 161 Ca -0.00 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 54.81 1shz h ALA 161 Cb 0.16 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1shz h ALA 161 CO 0.01 -0.34 0.35 -0.92 0.00 0.00 0.00 179.25 178.34 1shz h TYR 162 N -0.72 0.10 0.00 0.00 3.20 -0.54 0.30 116.97 119.31 1shz h TYR 162 Ca -0.02 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1shz h TYR 162 Cb 0.52 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 1shz h TYR 162 CO 0.08 0.04 -0.12 -0.44 -1.64 0.00 0.00 178.16 176.07 1shz h ASP 163 N 0.09 0.00 -0.60 -2.11 3.32 -1.15 -2.80 116.42 113.17 1shz h ASP 163 Ca 0.23 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 1shz h ASP 163 Cb 0.81 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.33 1shz h ASP 163 CO -0.02 0.12 0.07 0.54 -1.72 0.00 0.00 179.24 178.24 1shz n ARG 164 N -3.21 4.44 0.02 3.56 1.74 0.10 -4.65 116.66 118.66 1shz n ARG 164 Ca 0.01 -3.13 0.22 0.00 -0.77 0.00 0.00 57.85 54.18 1shz n ARG 164 Cb 0.43 -2.23 0.70 0.00 -1.02 0.00 0.00 32.46 30.35 1shz n ARG 164 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1shz h ARG 165 N 3.46 0.00 0.00 5.56 0.11 -1.21 -2.10 114.38 120.21 1shz h ARG 165 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 1shz h ARG 165 Cb 2.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.13 1shz h ARG 165 CO 0.54 0.00 0.00 2.89 0.10 0.00 0.00 179.97 183.50 1shz n ARG 166 N -3.66 0.01 -0.06 0.08 1.85 -1.26 -1.19 116.66 112.44 1shz n ARG 166 Ca 0.11 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 57.00 1shz n ARG 166 Cb 0.79 -1.31 0.07 0.00 -1.05 0.00 0.00 32.46 30.96 1shz n ARG 166 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1shz n GLU 167 N -0.81 1.35 -3.60 2.89 1.02 -0.79 -4.70 120.64 116.00 1shz n GLU 167 Ca 0.00 -1.39 -0.14 0.00 -0.02 0.00 0.00 57.16 55.61 1shz n GLU 167 Cb 0.00 -1.18 -0.07 0.00 -0.02 0.00 0.00 31.44 30.18 1shz n GLU 167 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1shz s PHE 168 N -0.82 -0.66 -0.21 -0.32 -0.12 -0.33 -5.11 117.98 110.41 1shz s PHE 168 Ca 0.13 1.50 -0.35 0.00 -0.05 0.00 0.00 56.93 58.15 1shz s PHE 168 Cb 0.08 0.33 -0.12 0.00 -0.63 0.00 0.00 43.02 42.68 1shz s PHE 168 CO 0.11 -0.39 1.98 1.04 -0.05 0.00 0.00 175.22 177.90 1shz n GLN 169 N 2.06 1.67 -3.64 1.99 1.13 -1.26 -4.88 117.38 114.45 1shz n GLN 169 Ca -0.14 0.57 -0.06 0.00 -1.94 0.00 0.00 57.00 55.42 1shz n GLN 169 Cb 0.56 -2.55 -0.07 0.00 0.11 0.00 0.00 30.24 28.29 1shz n GLN 169 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1shz s LEU 170 N 5.27 -0.89 -0.18 1.08 2.96 -1.26 -5.05 118.68 120.61 1shz s LEU 170 Ca 0.99 1.42 -0.29 0.00 -0.22 0.00 0.00 54.13 56.04 1shz s LEU 170 Cb -0.78 2.30 -0.01 0.00 0.50 0.00 0.00 46.19 48.21 1shz s LEU 170 CO 0.52 -0.22 1.18 -0.83 -1.32 0.00 0.00 176.35 175.68 1shz s GLY 171 N 1.60 1.69 0.00 7.98 0.00 -1.26 -4.89 107.32 112.44 1shz s GLY 171 Ca -0.10 0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.99 1shz s GLY 171 CO -0.19 2.38 0.28 -1.84 0.00 0.00 0.00 173.10 173.73 1shz n GLU 172 N 6.44 0.33 0.00 2.90 0.00 -1.26 -2.23 120.64 126.82 1shz n GLU 172 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.40 1shz n GLU 172 Cb 0.45 -1.05 0.07 0.00 0.00 0.00 0.00 31.44 30.91 1shz n GLU 172 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1shz n SER 173 N -0.27 1.35 0.22 -1.84 2.88 -1.26 -3.89 113.62 110.82 1shz n SER 173 Ca 0.00 -1.09 0.11 0.00 -1.33 0.00 0.00 58.87 56.55 1shz n SER 173 Cb 0.02 0.54 0.40 0.00 -0.75 0.00 0.00 64.21 64.42 1shz n SER 173 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1shz h VAL 174 N 1.19 0.41 -0.32 2.46 -1.51 -1.80 -2.97 116.25 113.72 1shz h VAL 174 Ca 0.00 -1.14 -0.15 0.00 -1.23 0.00 0.00 66.70 64.18 1shz h VAL 174 Cb 0.60 1.84 -0.01 0.00 -2.13 0.00 0.00 31.29 31.60 1shz h VAL 174 CO 0.00 0.19 -0.41 0.50 -1.23 0.00 0.00 177.57 176.62 1shz h LYS 175 N 0.00 0.79 -0.02 5.19 3.64 -1.81 -1.03 116.57 123.33 1shz h LYS 175 Ca -0.00 -0.42 -0.05 0.00 -1.27 0.00 0.00 60.65 58.91 1shz h LYS 175 Cb 0.83 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1shz h LYS 175 CO 0.02 1.05 -0.21 -0.92 -2.27 0.00 0.00 179.45 177.13 1shz h TYR 176 N 0.65 0.04 0.17 1.91 3.20 -1.73 -2.30 116.97 118.90 1shz h TYR 176 Ca 0.05 -0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.57 1shz h TYR 176 Cb 0.97 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.23 1shz h TYR 176 CO 0.05 0.25 -1.77 0.74 -1.64 0.00 0.00 178.16 175.79 1shz h PHE 177 N 0.04 0.64 0.00 -3.82 0.04 -1.57 -3.28 116.94 108.99 1shz h PHE 177 Ca 0.01 -0.46 -0.01 0.00 2.80 0.00 0.00 57.97 60.30 1shz h PHE 177 Cb 0.39 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.52 1shz h PHE 177 CO 0.00 1.69 -0.03 -0.07 -0.60 0.00 0.00 178.31 179.31 1shz h LEU 178 N 0.05 0.00 -0.21 1.54 3.38 -1.07 0.15 115.31 119.15 1shz h LEU 178 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1shz h LEU 178 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 1shz h LEU 178 CO 0.14 0.03 -0.36 0.47 0.09 0.00 0.00 178.44 178.81 1shz n ASP 179 N -3.36 0.68 -0.46 -0.43 8.00 -0.88 -3.85 116.55 116.26 1shz n ASP 179 Ca -0.02 -0.49 0.07 0.00 0.71 0.00 0.00 54.79 55.06 1shz n ASP 179 Cb 0.14 0.16 0.18 0.00 -0.02 0.00 0.00 41.12 41.58 1shz n ASP 179 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1shz n ASN 180 N -1.13 2.43 0.10 -2.24 3.02 0.46 -4.71 115.26 113.19 1shz n ASN 180 Ca 0.09 -3.37 0.20 0.00 -0.03 0.00 0.00 54.58 51.47 1shz n ASN 180 Cb 0.34 -0.50 0.70 0.00 -0.61 0.00 0.00 39.78 39.71 1shz n ASN 180 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1shz h LEU 181 N 0.65 0.00 0.35 3.41 4.07 -1.50 -1.76 115.31 120.52 1shz h LEU 181 Ca 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 1shz h LEU 181 Cb 1.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.89 1shz h LEU 181 CO 0.08 0.00 -0.17 0.44 -1.08 0.00 0.00 178.44 177.71 1shz h ASP 182 N 0.00 -0.40 0.73 -0.43 3.45 -1.88 -0.32 116.42 117.56 1shz h ASP 182 Ca 0.19 -0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.52 1shz h ASP 182 Cb 1.27 0.10 0.00 0.00 -0.56 0.00 0.00 39.33 40.14 1shz h ASP 182 CO -0.00 -0.07 0.00 0.07 -1.57 0.00 0.00 179.24 177.66 1shz h LYS 183 N -0.74 0.00 0.00 3.56 2.10 -1.71 -2.49 116.57 117.28 1shz h LYS 183 Ca -0.05 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.58 1shz h LYS 183 Cb 0.50 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.83 1shz h LYS 183 CO 0.08 0.00 -1.06 -0.07 -2.00 0.00 0.00 179.45 176.40 1shz h LEU 184 N 0.00 0.00 -0.37 7.07 4.07 -1.33 -3.34 115.31 121.41 1shz h LEU 184 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1shz h LEU 184 Cb 0.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1shz h LEU 184 CO 0.00 0.09 0.00 0.61 -1.08 0.00 0.00 178.44 178.06 1shz n GLY 185 N 1.21 -0.58 3.87 0.83 0.00 -0.15 -4.88 105.19 105.50 1shz n GLY 185 Ca -0.01 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1shz n GLY 185 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1shz s VAL 186 N -1.94 3.74 0.00 1.61 -7.23 -1.25 -5.03 120.40 110.30 1shz s VAL 186 Ca 0.32 0.57 0.00 0.00 -1.81 0.00 0.00 61.98 61.05 1shz s VAL 186 Cb 0.16 -3.52 0.00 0.00 0.56 0.00 0.00 36.38 33.57 1shz s VAL 186 CO 0.25 -0.74 0.31 -2.65 -0.31 0.00 0.00 175.10 171.96 1shz n PRO 187 N -3.00 0.00 -3.07 4.82 -0.02 -1.26 -4.23 135.00 128.24 1shz n PRO 187 Ca 0.07 0.06 -0.45 0.00 -2.02 0.00 0.00 63.50 61.16 1shz n PRO 187 Cb 0.56 -0.81 -0.03 0.00 -0.02 0.00 0.00 33.50 33.21 1shz n PRO 187 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1shz s ASP 188 N -2.21 6.55 -0.09 2.55 1.01 -1.26 -5.01 116.67 118.21 1shz s ASP 188 Ca 0.00 -2.04 -0.18 0.00 0.71 0.00 0.00 52.55 51.04 1shz s ASP 188 Cb 0.00 -2.33 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 1shz s ASP 188 CO 0.00 -0.96 0.50 -0.47 0.21 0.00 0.00 175.17 174.45 1shz s TYR 189 N 2.07 3.56 -0.21 4.23 5.04 -1.26 -5.07 117.35 125.71 1shz s TYR 189 Ca 0.24 0.95 0.01 0.00 -2.44 0.00 0.00 57.07 55.83 1shz s TYR 189 Cb -0.11 -2.55 0.03 0.00 0.35 0.00 0.00 41.96 39.68 1shz s TYR 189 CO -0.05 0.23 -0.16 0.42 -1.34 0.00 0.00 175.55 174.65 1shz s ILE 190 N 0.37 2.19 0.27 3.14 1.01 -1.26 -4.94 121.20 121.97 1shz s ILE 190 Ca 0.27 -1.10 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 1shz s ILE 190 Cb -0.16 -2.03 -0.13 0.00 0.01 0.00 0.00 42.46 40.15 1shz s ILE 190 CO 0.12 0.37 1.32 -2.65 0.00 0.00 0.00 174.94 174.10 1shz n PRO 191 N 4.58 1.94 -1.76 2.79 -0.02 -1.26 -4.97 135.00 136.30 1shz n PRO 191 Ca -0.19 0.69 -0.30 0.00 -2.02 0.00 0.00 63.50 61.68 1shz n PRO 191 Cb 0.48 -2.29 0.20 0.00 -0.02 0.00 0.00 33.50 31.87 1shz n PRO 191 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1shz s SER 192 N 0.04 2.58 0.24 2.55 1.04 -1.26 -4.84 113.70 114.05 1shz s SER 192 Ca 0.64 0.31 -0.06 0.00 0.48 0.00 0.00 55.95 57.32 1shz s SER 192 Cb -0.65 -0.37 0.23 0.00 0.10 0.00 0.00 66.02 65.33 1shz s SER 192 CO 0.54 -3.07 1.87 -0.61 0.98 0.00 0.00 173.24 172.96 1shz h GLN 193 N -1.87 1.27 -0.05 4.02 4.15 -1.98 -2.82 115.11 117.83 1shz h GLN 193 Ca -0.44 -0.13 -0.17 0.00 0.77 0.00 0.00 58.65 58.67 1shz h GLN 193 Cb 1.24 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 1shz h GLN 193 CO 0.36 0.91 -0.72 1.96 -1.93 0.00 0.00 178.83 179.41 1shz h GLN 194 N 1.28 0.25 -0.54 1.69 1.08 -1.94 -3.23 115.11 113.72 1shz h GLN 194 Ca 0.33 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1shz h GLN 194 Cb -0.01 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 1shz h GLN 194 CO -0.06 0.87 0.35 -0.44 -0.95 0.00 0.00 178.83 178.60 1shz h ASP 195 N 0.17 0.62 -0.27 1.46 5.19 -1.86 -1.47 116.42 120.26 1shz h ASP 195 Ca -0.02 -0.02 0.04 0.00 -0.62 0.00 0.00 57.03 56.41 1shz h ASP 195 Cb 1.28 -0.16 -0.04 0.00 0.18 0.00 0.00 39.33 40.60 1shz h ASP 195 CO 0.11 0.46 0.02 0.40 -3.12 0.00 0.00 179.24 177.11 1shz h ILE 196 N 0.73 0.83 -0.32 0.35 5.03 -1.54 -0.96 117.51 121.63 1shz h ILE 196 Ca 0.20 -0.04 -0.03 0.00 -0.12 0.00 0.00 64.86 64.87 1shz h ILE 196 Cb -0.07 0.71 -0.02 0.00 -3.03 0.00 0.00 36.82 34.41 1shz h ILE 196 CO -0.04 0.02 0.06 -0.07 -0.68 0.00 0.00 178.15 177.44 1shz h LEU 197 N 0.11 0.42 0.00 1.44 3.38 -1.48 -2.08 115.31 117.10 1shz h LEU 197 Ca 0.13 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1shz h LEU 197 Cb 0.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1shz h LEU 197 CO -0.20 0.45 -0.22 0.18 0.09 0.00 0.00 178.44 178.74 1shz n LEU 198 N -4.35 0.53 -4.76 1.67 4.77 -0.59 -4.84 117.00 109.43 1shz n LEU 198 Ca 0.01 0.39 -0.38 0.00 -0.03 0.00 0.00 56.01 56.01 1shz n LEU 198 Cb 0.19 -0.33 0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1shz n LEU 198 CO 0.37 -0.06 0.92 0.00 -1.33 0.00 0.00 177.39 177.29 1shz s ALA 199 N -3.07 2.88 -0.00 -1.18 0.00 -0.41 -4.89 121.76 115.09 1shz s ALA 199 Ca 0.11 1.16 0.07 0.00 0.00 0.00 0.00 51.96 53.30 1shz s ALA 199 Cb 0.15 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 1shz s ALA 199 CO 0.62 -1.06 -0.22 0.50 0.00 0.00 0.00 175.76 175.60 1shz s ARG 200 N -2.82 2.13 -0.30 0.00 6.06 -1.26 -5.03 118.95 117.73 1shz s ARG 200 Ca 0.68 -0.92 -0.10 0.00 -2.50 0.00 0.00 55.73 52.89 1shz s ARG 200 Cb -0.35 -2.13 0.14 0.00 0.06 0.00 0.00 34.95 32.67 1shz s ARG 200 CO 0.42 0.56 0.68 0.50 -2.50 0.00 0.00 175.30 174.96 1shz s ARG 201 N -0.90 0.55 0.23 5.12 3.52 -1.26 -4.93 118.95 121.28 1shz s ARG 201 Ca 0.11 1.35 -0.31 0.00 -0.13 0.00 0.00 55.73 56.75 1shz s ARG 201 Cb -0.10 0.81 -0.11 0.00 -1.56 0.00 0.00 34.95 33.99 1shz s ARG 201 CO 0.01 -0.23 1.57 -1.25 -0.81 0.00 0.00 175.30 174.59 1shz s PRO 202 N 2.86 4.18 -0.16 5.12 0.04 -1.26 -4.99 135.00 140.80 1shz s PRO 202 Ca -0.03 2.46 -0.07 0.00 0.04 0.00 0.00 61.00 63.40 1shz s PRO 202 Cb -0.12 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 1shz s PRO 202 CO -0.19 -0.59 0.08 0.99 0.04 0.00 0.00 177.00 177.33 1shz s THR 203 N 0.51 4.98 0.01 1.26 2.01 -1.26 -5.10 115.64 118.05 1shz s THR 203 Ca 0.66 0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.73 1shz s THR 203 Cb -0.46 -3.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 1shz s THR 203 CO 0.39 0.51 -0.13 -0.54 -0.69 0.00 0.00 174.62 174.17 1shz s LYS 204 N -0.12 0.98 0.39 4.92 1.02 -1.26 -4.38 119.74 121.29 1shz s LYS 204 Ca 0.08 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.48 1shz s LYS 204 Cb -0.12 -0.97 0.00 0.00 -0.52 0.00 0.00 37.83 36.23 1shz s LYS 204 CO 0.01 0.25 0.00 0.41 -0.92 0.00 0.00 175.35 175.10 1shz n GLY 205 N 2.39 -2.39 3.75 -3.33 0.00 -1.26 -4.89 105.19 99.46 1shz n GLY 205 Ca -0.16 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 43.88 1shz n GLY 205 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1shz s ILE 206 N -0.50 4.82 -0.22 -0.61 1.01 -1.26 -3.40 121.20 121.03 1shz s ILE 206 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.60 1shz s ILE 206 Cb 0.00 -3.07 0.06 0.00 0.01 0.00 0.00 42.46 39.46 1shz s ILE 206 CO 0.00 0.60 -0.05 -1.00 0.00 0.00 0.00 174.94 174.49 1shz s HIS 207 N -0.82 2.17 0.27 3.97 3.76 0.12 -4.96 115.29 119.79 1shz s HIS 207 Ca 0.13 -1.57 -0.11 0.00 -0.15 0.00 0.00 55.06 53.36 1shz s HIS 207 Cb -0.12 -1.49 -0.08 0.00 1.11 0.00 0.00 32.58 32.01 1shz s HIS 207 CO 0.03 -0.74 0.61 -2.00 -0.85 0.00 0.00 174.74 171.79 1shz s GLU 208 N 1.47 3.85 -0.09 1.40 2.12 -1.26 0.25 118.70 126.44 1shz s GLU 208 Ca -0.04 0.39 -0.13 0.00 0.36 0.00 0.00 54.97 55.55 1shz s GLU 208 Cb -0.18 -2.57 0.03 0.00 0.26 0.00 0.00 34.13 31.67 1shz s GLU 208 CO -0.07 0.25 0.33 0.99 -0.54 0.00 0.00 175.26 176.23 1shz s THR 209 N -1.90 0.02 0.16 -1.70 2.01 0.26 -4.96 115.64 109.53 1shz s THR 209 Ca 0.49 -0.14 0.11 0.00 0.31 0.00 0.00 61.69 62.46 1shz s THR 209 Cb -0.11 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 1shz s THR 209 CO 0.21 -0.08 -0.25 -1.00 -0.69 0.00 0.00 174.62 172.81 1shz s HIS 210 N -0.27 2.26 0.00 4.92 3.76 -1.26 -0.29 115.29 124.41 1shz s HIS 210 Ca -0.04 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.49 1shz s HIS 210 Cb -0.03 -1.17 0.00 0.00 1.11 0.00 0.00 32.58 32.49 1shz s HIS 210 CO 0.02 0.41 0.00 1.97 -0.85 0.00 0.00 174.74 176.29 1shz n PHE 211 N 0.57 0.00 -4.19 1.40 1.16 -1.11 -4.93 117.46 110.36 1shz n PHE 211 Ca -0.15 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.08 1shz n PHE 211 Cb 0.55 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.28 1shz n PHE 211 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1shz s THR 212 N -2.00 3.49 -0.04 1.97 2.01 -1.26 -1.59 115.64 118.22 1shz s THR 212 Ca 0.00 -0.47 -0.02 0.00 0.31 0.00 0.00 61.69 61.50 1shz s THR 212 Cb 0.00 -2.55 0.03 0.00 0.01 0.00 0.00 72.50 69.98 1shz s THR 212 CO 0.00 0.46 0.10 0.12 -0.69 0.00 0.00 174.62 174.61 1shz s PHE 213 N 0.99 -0.10 -1.42 4.92 5.36 -1.06 -4.85 117.98 121.83 1shz s PHE 213 Ca 0.00 0.32 -0.06 0.00 -0.96 0.00 0.00 56.93 56.24 1shz s PHE 213 Cb -0.15 -0.08 0.04 0.00 -0.34 0.00 0.00 43.02 42.49 1shz s PHE 213 CO 0.00 -0.11 0.77 1.63 -1.46 0.00 0.00 175.22 176.06 1shz n LYS 214 N 3.81 -4.88 -3.52 10.12 5.02 -1.26 -1.73 118.16 125.72 1shz n LYS 214 Ca -0.22 0.58 -0.26 0.00 -2.02 0.00 0.00 58.31 56.39 1shz n LYS 214 Cb 0.54 -5.21 -0.01 0.00 -0.02 0.00 0.00 35.03 30.33 1shz n LYS 214 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1shz n ASP 215 N -2.95 -3.73 -4.10 4.39 10.43 -1.26 -4.97 116.55 114.36 1shz n ASP 215 Ca -0.16 -0.50 -0.24 0.00 2.57 0.00 0.00 54.79 56.45 1shz n ASP 215 Cb 0.62 -3.07 -0.16 0.00 1.84 0.00 0.00 41.12 40.34 1shz n ASP 215 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1shz s LEU 216 N -6.65 1.89 -0.72 0.64 1.43 -0.70 -4.97 118.68 109.60 1shz s LEU 216 Ca 0.47 -0.30 -0.19 0.00 -1.03 0.00 0.00 54.13 53.07 1shz s LEU 216 Cb -0.25 -0.85 0.11 0.00 0.03 0.00 0.00 46.19 45.24 1shz s LEU 216 CO 0.57 0.13 0.89 -1.00 0.23 0.00 0.00 176.35 177.18 1shz s HIS 217 N 0.05 3.00 -0.04 0.29 3.76 -1.26 -2.55 115.29 118.54 1shz s HIS 217 Ca -0.03 -1.04 -0.30 0.00 -0.15 0.00 0.00 55.06 53.54 1shz s HIS 217 Cb -0.10 -4.15 -0.02 0.00 1.11 0.00 0.00 32.58 29.42 1shz s HIS 217 CO 0.01 -1.42 1.00 -0.06 -0.85 0.00 0.00 174.74 173.43 1shz s PHE 218 N 2.86 3.58 -0.76 1.40 0.40 -0.62 -1.56 117.98 123.28 1shz s PHE 218 Ca 0.20 1.64 -0.01 0.00 -0.60 0.00 0.00 56.93 58.16 1shz s PHE 218 Cb -0.16 -3.16 0.19 0.00 0.51 0.00 0.00 43.02 40.40 1shz s PHE 218 CO 0.02 -0.16 0.61 0.15 0.70 0.00 0.00 175.22 176.54 1shz s LYS 219 N 1.45 2.88 -0.17 0.44 -0.14 0.21 -2.74 119.74 121.66 1shz s LYS 219 Ca 0.51 -3.02 -0.20 0.00 -1.36 0.00 0.00 55.97 51.90 1shz s LYS 219 Cb -0.20 -3.78 -0.03 0.00 -1.68 0.00 0.00 37.83 32.14 1shz s LYS 219 CO 0.24 -1.23 0.58 1.41 -0.76 0.00 0.00 175.35 175.59 1shz s MET 220 N -0.91 4.25 -0.13 1.68 1.75 0.61 -2.20 119.30 124.35 1shz s MET 220 Ca 0.23 0.56 -0.01 0.00 -1.25 0.00 0.00 55.69 55.22 1shz s MET 220 Cb -0.12 -3.54 -0.02 0.00 2.84 0.00 0.00 34.83 33.99 1shz s MET 220 CO -0.10 -0.13 -0.09 -0.06 -0.65 0.00 0.00 175.02 174.00 1shz s PHE 221 N 1.53 2.90 -0.15 4.11 0.40 -0.92 0.89 117.98 126.75 1shz s PHE 221 Ca 0.28 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 56.20 1shz s PHE 221 Cb -0.16 -1.86 -0.01 0.00 0.51 0.00 0.00 43.02 41.50 1shz s PHE 221 CO 0.11 -0.06 -0.11 0.34 0.70 0.00 0.00 175.22 176.20 1shz s ASP 222 N 0.15 4.04 0.46 1.36 2.15 0.14 -1.55 116.67 123.43 1shz s ASP 222 Ca -0.04 -0.35 0.04 0.00 0.43 0.00 0.00 52.55 52.62 1shz s ASP 222 Cb -0.14 -1.63 -0.05 0.00 -0.30 0.00 0.00 42.92 40.80 1shz s ASP 222 CO 0.04 0.12 0.01 0.68 -0.17 0.00 0.00 175.17 175.85 1shz s VAL 223 N 0.63 1.59 -0.08 1.11 -7.23 -1.25 0.14 120.40 115.30 1shz s VAL 223 Ca -0.06 -1.99 -0.13 0.00 -1.81 0.00 0.00 61.98 57.99 1shz s VAL 223 Cb -0.15 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 1shz s VAL 223 CO 0.03 0.00 0.31 -0.83 -0.31 0.00 0.00 175.10 174.30 1shz s GLY 224 N -3.80 2.32 0.31 2.32 0.00 -1.22 -4.91 107.32 102.34 1shz s GLY 224 Ca 0.21 -0.39 0.23 0.00 0.00 0.00 0.00 44.72 44.76 1shz s GLY 224 CO 0.11 0.12 1.34 -1.33 0.00 0.00 0.00 173.10 173.34 1shz h GLY 225 N 5.43 0.00 -2.50 0.20 0.00 -1.82 -3.38 103.07 100.99 1shz h GLY 225 Ca -0.49 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.27 1shz h GLY 225 CO 0.65 0.00 0.05 -1.06 0.00 0.00 0.00 176.54 176.18 1shz n GLN 226 N -2.83 0.71 -0.23 4.80 3.00 -1.26 -3.74 117.38 117.84 1shz n GLN 226 Ca 0.02 0.29 0.03 0.00 -0.01 0.00 0.00 57.00 57.33 1shz n GLN 226 Cb 0.53 -2.13 0.13 0.00 0.00 0.00 0.00 30.24 28.77 1shz n GLN 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1shz h ARG 227 N 0.18 0.14 0.00 -1.09 3.08 -1.99 0.13 114.38 114.83 1shz h ARG 227 Ca -0.48 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1shz h ARG 227 Cb 1.36 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1shz h ARG 227 CO 0.49 0.10 0.00 0.66 -1.07 0.00 0.00 179.97 180.14 1shz h SER 228 N 0.15 0.00 1.50 7.04 4.64 -1.97 -2.74 113.55 122.17 1shz h SER 228 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1shz h SER 228 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1shz h SER 228 CO -0.56 0.00 -0.37 -0.33 -0.87 0.00 0.00 176.83 174.70 1shz h GLU 229 N 0.00 0.00 0.00 4.77 4.39 -1.04 -3.37 114.58 119.34 1shz h GLU 229 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1shz h GLU 229 Cb 0.38 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1shz h GLU 229 CO 0.00 0.00 -0.23 0.00 -1.16 0.00 0.00 179.01 177.62 1shz h ARG 230 N 0.00 0.00 -0.27 2.33 3.08 -1.14 -2.96 114.38 115.42 1shz h ARG 230 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1shz h ARG 230 Cb 0.94 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 1shz h ARG 230 CO 0.00 0.23 0.13 1.57 -1.07 0.00 0.00 179.97 180.82 1shz h LYS 231 N 0.00 0.37 0.00 0.04 2.10 -1.76 0.26 116.57 117.58 1shz h LYS 231 Ca -0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1shz h LYS 231 Cb 0.69 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 1shz h LYS 231 CO 0.03 0.30 0.00 1.63 -2.00 0.00 0.00 179.45 179.41 1shz n LYS 232 N -4.44 0.26 -0.05 0.07 5.02 -1.12 -3.15 118.16 114.74 1shz n LYS 232 Ca 0.01 0.11 -0.14 0.00 -2.02 0.00 0.00 58.31 56.27 1shz n LYS 232 Cb 0.11 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.55 1shz n LYS 232 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 1shz h TRP 233 N 0.00 0.56 0.00 2.13 4.06 -1.08 -3.26 115.95 118.35 1shz h TRP 233 Ca 0.00 -0.19 0.00 0.00 2.06 0.00 0.00 58.89 60.76 1shz h TRP 233 Cb 0.19 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 1shz h TRP 233 CO 0.00 0.88 0.41 0.74 -3.56 0.00 0.00 178.44 176.91 1shz h PHE 234 N 0.07 0.00 0.00 0.49 0.04 -1.68 0.15 116.94 116.00 1shz h PHE 234 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1shz h PHE 234 Cb 0.84 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.99 1shz h PHE 234 CO 0.09 0.00 0.00 0.39 -0.60 0.00 0.00 178.31 178.19 1shz n GLU 235 N -2.60 0.98 0.00 1.51 4.71 -1.23 -3.32 120.64 120.68 1shz n GLU 235 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1shz n GLU 235 Cb 0.44 -1.29 0.00 0.00 -1.01 0.00 0.00 31.44 29.58 1shz n GLU 235 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1shz n PHE 237 N -0.01 0.00 -3.71 0.00 3.01 -1.21 -4.79 117.46 110.74 1shz n PHE 237 Ca 0.00 -0.01 -0.35 0.00 1.01 0.00 0.00 57.45 58.10 1shz n PHE 237 Cb 0.40 -0.10 -0.08 0.00 -0.01 0.00 0.00 39.48 39.69 1shz n PHE 237 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 1shz s GLU 238 N -0.98 4.19 -1.39 -1.08 1.03 -1.26 -4.57 118.70 114.65 1shz s GLU 238 Ca 0.00 -0.20 -0.05 0.00 0.03 0.00 0.00 54.97 54.75 1shz s GLU 238 Cb 0.00 -3.42 0.00 0.00 -0.80 0.00 0.00 34.13 29.91 1shz s GLU 238 CO 0.00 0.29 0.40 0.41 -1.33 0.00 0.00 175.26 175.03 1shz n GLY 239 N 3.52 -0.34 3.66 -3.83 0.00 -1.26 -4.91 105.19 102.04 1shz n GLY 239 Ca -0.16 0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1shz n GLY 239 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1shz s VAL 240 N -3.96 4.71 0.08 1.61 1.01 -1.26 -4.63 120.40 117.96 1shz s VAL 240 Ca 0.10 1.97 -0.03 0.00 0.00 0.00 0.00 61.98 64.02 1shz s VAL 240 Cb -0.04 -4.29 -0.27 0.00 0.00 0.00 0.00 36.38 31.78 1shz s VAL 240 CO 0.91 -0.14 1.16 0.74 0.00 0.00 0.00 175.10 177.77 1shz h THR 241 N 5.40 1.53 -2.50 3.92 2.02 -1.43 -3.42 112.91 118.44 1shz h THR 241 Ca -0.21 -3.12 -0.05 0.00 0.77 0.00 0.00 66.41 63.80 1shz h THR 241 Cb 1.07 2.93 -0.16 0.00 -1.74 0.00 0.00 68.15 70.25 1shz h THR 241 CO 0.95 0.91 0.15 0.00 0.37 0.00 0.00 175.52 177.90 1shz s ALA 242 N -2.66 -1.59 -0.07 6.16 0.00 -0.77 -3.00 121.76 119.83 1shz s ALA 242 Ca -0.03 0.88 0.02 0.00 0.00 0.00 0.00 51.96 52.83 1shz s ALA 242 Cb 0.07 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.56 1shz s ALA 242 CO 0.87 -0.52 -0.10 0.42 0.00 0.00 0.00 175.76 176.44 1shz s ILE 243 N -2.24 1.00 -0.45 0.00 1.01 -0.63 -1.37 121.20 118.52 1shz s ILE 243 Ca -0.06 -0.38 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 1shz s ILE 243 Cb -0.01 -0.94 0.12 0.00 0.01 0.00 0.00 42.46 41.64 1shz s ILE 243 CO 0.00 0.33 0.30 -0.63 0.00 0.00 0.00 174.94 174.94 1shz s ILE 244 N 0.87 3.87 -0.40 2.92 1.01 -0.21 -0.82 121.20 128.43 1shz s ILE 244 Ca -0.11 -1.92 -0.25 0.00 0.00 0.00 0.00 60.65 58.36 1shz s ILE 244 Cb -0.15 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.76 1shz s ILE 244 CO 0.01 -0.75 0.90 0.12 0.00 0.00 0.00 174.94 175.22 1shz s PHE 245 N 1.24 3.03 0.07 3.97 5.36 -0.41 -1.99 117.98 129.25 1shz s PHE 245 Ca 0.07 0.59 -0.17 0.00 -0.96 0.00 0.00 56.93 56.46 1shz s PHE 245 Cb -0.25 -3.72 -0.06 0.00 -0.34 0.00 0.00 43.02 38.65 1shz s PHE 245 CO -0.02 -0.91 0.51 0.00 -1.46 0.00 0.00 175.22 173.34 1shz s VAL 247 N -1.18 0.78 -0.29 0.00 1.01 0.49 -4.28 120.40 116.93 1shz s VAL 247 Ca 0.29 -1.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 1shz s VAL 247 Cb -0.18 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 1shz s VAL 247 CO 0.17 -0.25 0.11 0.00 0.00 0.00 0.00 175.10 175.14 1shz s ALA 248 N -1.18 3.19 0.24 5.51 0.00 -1.26 0.88 121.76 129.13 1shz s ALA 248 Ca -0.05 -1.36 0.20 0.00 0.00 0.00 0.00 51.96 50.75 1shz s ALA 248 Cb -0.09 -2.25 0.86 0.00 0.00 0.00 0.00 23.12 21.65 1shz s ALA 248 CO 0.01 -0.83 1.82 -0.07 0.00 0.00 0.00 175.76 176.69 1shz h LEU 249 N 8.29 0.00 -0.59 0.00 3.38 -1.14 -3.21 115.31 122.03 1shz h LEU 249 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1shz h LEU 249 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1shz h LEU 249 CO 0.60 0.31 0.00 -1.20 0.09 0.00 0.00 178.44 178.24 1shz n SER 250 N -3.62 0.38 -3.04 -0.43 7.64 -1.26 -4.00 113.62 109.29 1shz n SER 250 Ca -0.01 0.62 -0.29 0.00 1.01 0.00 0.00 58.87 60.21 1shz n SER 250 Cb 0.43 -0.69 -0.04 0.00 -1.01 0.00 0.00 64.21 62.90 1shz n SER 250 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1shz n ASP 251 N -1.95 4.78 -0.45 6.43 5.68 -1.22 -4.50 116.55 125.33 1shz n ASP 251 Ca 0.01 -3.68 0.11 0.00 -0.50 0.00 0.00 54.79 50.74 1shz n ASP 251 Cb 0.14 -0.63 0.06 0.00 -1.14 0.00 0.00 41.12 39.54 1shz n ASP 251 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1shz n TYR 252 N -0.18 0.00 0.12 2.11 0.18 -1.26 -1.95 117.16 116.19 1shz n TYR 252 Ca 0.33 0.00 0.02 0.00 1.88 0.00 0.00 57.90 60.12 1shz n TYR 252 Cb 0.38 -0.02 0.02 0.00 -0.38 0.00 0.00 39.34 39.33 1shz n TYR 252 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 1shz n ASP 253 N -0.15 1.39 -4.85 9.48 5.75 -1.26 -3.88 116.55 123.03 1shz n ASP 253 Ca 0.10 -1.23 -0.21 0.00 -0.01 0.00 0.00 54.79 53.43 1shz n ASP 253 Cb 0.45 -0.01 -0.04 0.00 -1.03 0.00 0.00 41.12 40.49 1shz n ASP 253 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1shz s GLN 254 N -0.36 2.69 0.36 0.11 -0.21 -1.25 -4.84 119.66 116.15 1shz s GLN 254 Ca 0.04 -1.32 0.08 0.00 0.02 0.00 0.00 55.36 54.18 1shz s GLN 254 Cb 0.03 -2.45 -0.05 0.00 1.00 0.00 0.00 33.01 31.54 1shz s GLN 254 CO 0.04 0.08 0.13 0.14 -2.12 0.00 0.00 175.29 173.56 1shz s VAL 255 N -2.32 2.76 0.83 1.09 -7.23 -1.26 -1.82 120.40 112.44 1shz s VAL 255 Ca 0.41 -1.75 -0.11 0.00 -1.81 0.00 0.00 61.98 58.72 1shz s VAL 255 Cb -0.05 -2.94 0.09 0.00 0.56 0.00 0.00 36.38 34.04 1shz s VAL 255 CO 0.26 -0.14 1.10 -0.76 -0.31 0.00 0.00 175.10 175.25 1shz s LEU 256 N -3.84 2.74 0.00 1.32 1.43 -0.18 -4.68 118.68 115.48 1shz s LEU 256 Ca 0.38 1.77 0.22 0.00 -1.03 0.00 0.00 54.13 55.48 1shz s LEU 256 Cb -0.00 -4.34 -0.04 0.00 0.03 0.00 0.00 46.19 41.84 1shz s LEU 256 CO 0.22 -2.39 1.01 1.15 0.23 0.00 0.00 176.35 176.57 1shz n MET 257 N -3.75 0.06 0.09 1.70 0.00 -1.26 -3.77 117.12 110.20 1shz n MET 257 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 57.70 57.76 1shz n MET 257 Cb 0.53 -1.51 -0.05 0.00 0.00 0.00 0.00 33.22 32.20 1shz n MET 257 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 175.97 177.02 1shz h GLU 258 N 0.00 0.00 -1.82 3.17 9.09 -1.99 -3.42 114.58 119.62 1shz h GLU 258 Ca 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.27 1shz h GLU 258 Cb 0.55 0.00 -0.29 0.00 -1.65 0.00 0.00 28.75 27.36 1shz h GLU 258 CO 0.00 0.68 -0.47 0.16 0.05 0.00 0.00 179.01 179.43 1shz s ASP 259 N -6.49 0.15 0.00 3.06 -4.77 -1.26 -5.03 116.67 102.33 1shz s ASP 259 Ca 0.02 0.20 -0.02 0.00 -3.30 0.00 0.00 52.55 49.46 1shz s ASP 259 Cb 0.09 1.18 -0.07 0.00 -1.09 0.00 0.00 42.92 43.03 1shz s ASP 259 CO 0.78 -0.30 1.44 0.54 0.70 0.00 0.00 175.17 178.33 1shz n ARG 260 N 5.37 0.68 -2.71 2.11 5.12 -1.25 -3.56 116.66 122.42 1shz n ARG 260 Ca -0.03 -0.25 -0.08 0.00 -1.93 0.00 0.00 57.85 55.56 1shz n ARG 260 Cb 0.50 -1.54 0.11 0.00 -1.16 0.00 0.00 32.46 30.37 1shz n ARG 260 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1shz n GLN 261 N 2.38 1.13 -3.61 5.56 10.64 -1.26 -4.93 117.38 127.29 1shz n GLN 261 Ca 0.11 -1.88 -0.03 0.00 -1.83 0.00 0.00 57.00 53.36 1shz n GLN 261 Cb 0.32 -0.42 -0.06 0.00 -0.86 0.00 0.00 30.24 29.22 1shz n GLN 261 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1shz s THR 262 N 0.17 -0.26 0.20 -0.39 2.01 -1.23 -5.00 115.64 111.15 1shz s THR 262 Ca 0.22 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 61.91 1shz s THR 262 Cb 0.36 -1.00 -0.11 0.00 0.01 0.00 0.00 72.50 71.77 1shz s THR 262 CO -0.07 0.00 1.58 0.21 -0.69 0.00 0.00 174.62 175.65 1shz s ASN 263 N 1.90 6.53 0.07 3.53 3.84 -1.26 -1.01 114.94 128.53 1shz s ASN 263 Ca -0.08 2.72 -0.37 0.00 0.21 0.00 0.00 52.86 55.34 1shz s ASN 263 Cb -0.06 -2.60 -0.20 0.00 -0.55 0.00 0.00 41.25 37.84 1shz s ASN 263 CO -0.18 -0.84 1.58 0.03 -2.79 0.00 0.00 177.10 174.89 1shz h ARG 264 N 6.26 -1.19 -1.11 0.43 3.08 -1.51 -1.89 114.38 118.45 1shz h ARG 264 Ca -0.44 0.08 0.31 0.00 0.07 0.00 0.00 59.98 60.00 1shz h ARG 264 Cb 1.21 0.27 -0.09 0.00 0.08 0.00 0.00 29.97 31.43 1shz h ARG 264 CO 0.88 -0.80 0.72 1.98 -1.07 0.00 0.00 179.97 181.69 1shz h MET 265 N -1.24 0.28 -0.58 0.04 4.05 -1.66 0.48 114.93 116.31 1shz h MET 265 Ca -0.12 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.24 1shz h MET 265 Cb 0.97 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.68 1shz h MET 265 CO 0.17 0.19 0.17 0.45 0.23 0.00 0.00 176.91 178.12 1shz h HIS 266 N 0.29 0.89 -0.20 1.39 3.86 -1.69 -2.45 115.15 117.25 1shz h HIS 266 Ca 0.63 -0.07 -0.19 0.00 -1.16 0.00 0.00 60.37 59.58 1shz h HIS 266 Cb 1.78 -0.26 0.01 0.00 1.06 0.00 0.00 27.41 30.00 1shz h HIS 266 CO -0.00 0.72 -0.63 0.93 0.86 0.00 0.00 177.93 179.81 1shz h GLU 267 N 0.84 0.77 -0.62 2.45 4.39 0.67 -2.80 114.58 120.28 1shz h GLU 267 Ca 0.19 -0.57 0.08 0.00 0.34 0.00 0.00 59.36 59.40 1shz h GLU 267 Cb 0.25 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.94 1shz h GLU 267 CO -0.01 1.19 0.28 1.03 -1.16 0.00 0.00 179.01 180.34 1shz h SER 268 N 0.51 0.34 -0.70 1.42 0.87 -1.13 0.28 113.55 115.14 1shz h SER 268 Ca -0.02 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 1shz h SER 268 Cb 1.25 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.19 1shz h SER 268 CO 0.13 0.21 0.22 0.24 -0.53 0.00 0.00 176.83 177.11 1shz h MET 269 N 0.50 1.09 -0.46 2.24 2.86 -1.44 -1.04 114.93 118.68 1shz h MET 269 Ca 0.30 -0.23 -0.12 0.00 -2.06 0.00 0.00 59.70 57.59 1shz h MET 269 Cb 0.30 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1shz h MET 269 CO -0.25 0.93 -0.18 0.87 1.06 0.00 0.00 176.91 179.34 1shz h LYS 270 N 1.03 0.90 -0.22 1.72 1.57 -1.06 -1.52 116.57 118.99 1shz h LYS 270 Ca 0.23 -0.35 -0.13 0.00 -1.87 0.00 0.00 60.65 58.52 1shz h LYS 270 Cb 0.30 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1shz h LYS 270 CO -0.01 1.00 -0.42 1.25 -0.57 0.00 0.00 179.45 180.70 1shz h LEU 271 N 0.79 0.57 -0.48 2.94 5.85 -0.29 -3.04 115.31 121.64 1shz h LEU 271 Ca 0.11 -0.26 -0.17 0.00 0.84 0.00 0.00 57.88 58.41 1shz h LEU 271 Cb 0.72 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1shz h LEU 271 CO 0.06 0.92 -0.62 0.15 -0.34 0.00 0.00 178.44 178.60 1shz h PHE 272 N 0.43 0.63 0.00 1.25 3.57 -1.02 -2.74 116.94 119.07 1shz h PHE 272 Ca 0.03 -0.25 -0.01 0.00 3.53 0.00 0.00 57.97 61.28 1shz h PHE 272 Cb 0.92 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 1shz h PHE 272 CO 0.04 0.98 -0.03 0.22 -2.23 0.00 0.00 178.31 177.29 1shz h ASP 273 N 0.36 0.00 0.55 0.41 3.58 -1.22 -1.01 116.42 119.10 1shz h ASP 273 Ca -0.01 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.18 1shz h ASP 273 Cb 1.17 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.18 1shz h ASP 273 CO 0.11 0.03 -1.62 -0.24 -2.88 0.00 0.00 179.24 174.64 1shz n SER 274 N -3.15 0.88 -0.06 2.28 2.88 -1.10 -3.79 113.62 111.55 1shz n SER 274 Ca -0.00 0.41 -0.05 0.00 -1.33 0.00 0.00 58.87 57.89 1shz n SER 274 Cb 0.26 -0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.68 1shz n SER 274 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1shz h ILE 275 N 0.00 0.32 -0.91 2.46 2.04 -1.30 -3.24 117.51 116.89 1shz h ILE 275 Ca -0.25 -1.29 0.27 0.00 1.00 0.00 0.00 64.86 64.59 1shz h ILE 275 Cb 1.89 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 38.60 1shz h ILE 275 CO 0.07 0.11 0.67 0.00 0.00 0.00 0.00 178.15 179.00 1shz n ASN 277 N -4.23 4.70 -4.72 0.00 3.02 -1.25 -4.94 115.26 107.84 1shz n ASN 277 Ca 0.19 -2.76 -0.41 0.00 -0.03 0.00 0.00 54.58 51.57 1shz n ASN 277 Cb 0.99 -0.58 -0.04 0.00 -0.61 0.00 0.00 39.78 39.54 1shz n ASN 277 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1shz s ASN 278 N -1.19 7.44 0.65 6.41 3.84 -0.04 -4.91 114.94 127.15 1shz s ASN 278 Ca 0.47 1.73 0.34 0.00 0.21 0.00 0.00 52.86 55.62 1shz s ASN 278 Cb 0.35 -2.58 1.89 0.00 -0.55 0.00 0.00 41.25 40.36 1shz s ASN 278 CO 0.16 -0.15 2.09 0.11 -2.79 0.00 0.00 177.10 176.52 1shz h LYS 279 N 6.12 0.00 0.00 0.43 1.79 -1.92 0.40 116.57 123.40 1shz h LYS 279 Ca -0.42 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.01 1shz h LYS 279 Cb 1.21 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.86 1shz h LYS 279 CO 0.73 0.00 -0.18 -1.49 -1.08 0.00 0.00 179.45 177.43 1shz h TRP 280 N 0.00 0.00 -0.42 -1.35 4.06 -1.94 -3.29 115.95 113.01 1shz h TRP 280 Ca 0.02 0.00 -0.26 0.00 2.06 0.00 0.00 58.89 60.71 1shz h TRP 280 Cb 0.45 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 28.44 1shz h TRP 280 CO 0.00 0.18 -0.20 1.19 -3.56 0.00 0.00 178.44 176.06 1shz n PHE 281 N -3.25 1.38 0.07 0.49 3.72 0.14 -4.70 117.46 115.32 1shz n PHE 281 Ca 0.01 -1.81 -0.02 0.00 -0.05 0.00 0.00 57.45 55.58 1shz n PHE 281 Cb 0.47 -0.51 0.22 0.00 -0.94 0.00 0.00 39.48 38.72 1shz n PHE 281 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1shz h THR 282 N 1.20 1.29 -0.28 4.37 1.35 -1.63 -3.05 112.91 116.16 1shz h THR 282 Ca 0.25 -1.43 -0.00 0.00 -0.55 0.00 0.00 66.41 64.68 1shz h THR 282 Cb 1.50 1.58 -0.00 0.00 -1.73 0.00 0.00 68.15 69.50 1shz h THR 282 CO 0.49 0.43 0.00 0.47 -0.25 0.00 0.00 175.52 176.66 1shz n ASP 283 N -4.06 4.00 -4.62 5.36 8.00 -1.26 -4.89 116.55 119.08 1shz n ASP 283 Ca -0.01 -3.02 -0.35 0.00 0.71 0.00 0.00 54.79 52.12 1shz n ASP 283 Cb 0.45 -0.56 -0.10 0.00 -0.02 0.00 0.00 41.12 40.90 1shz n ASP 283 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1shz s THR 284 N -2.83 4.73 -0.05 -3.53 2.01 -1.15 -5.01 115.64 109.81 1shz s THR 284 Ca 0.43 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 62.08 1shz s THR 284 Cb 0.35 -3.14 -0.07 0.00 0.01 0.00 0.00 72.50 69.65 1shz s THR 284 CO 0.09 0.45 1.86 -0.44 -0.69 0.00 0.00 174.62 175.89 1shz s SER 285 N 0.48 6.40 -0.41 3.53 0.01 -1.16 -4.89 113.70 117.66 1shz s SER 285 Ca 0.03 2.33 -0.10 0.00 1.31 0.00 0.00 55.95 59.52 1shz s SER 285 Cb -0.13 -2.53 0.06 0.00 0.21 0.00 0.00 66.02 63.64 1shz s SER 285 CO 0.01 -1.14 0.25 -0.63 0.41 0.00 0.00 173.24 172.14 1shz s ILE 286 N 4.83 4.39 -0.05 1.44 1.01 -1.26 -1.60 121.20 129.96 1shz s ILE 286 Ca 0.83 -1.22 -0.14 0.00 0.00 0.00 0.00 60.65 60.13 1shz s ILE 286 Cb -0.37 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 1shz s ILE 286 CO 0.36 -0.43 0.35 -0.63 0.00 0.00 0.00 174.94 174.59 1shz s ILE 287 N 1.48 5.16 -0.17 2.92 1.01 0.00 -2.44 121.20 129.15 1shz s ILE 287 Ca 0.03 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.38 1shz s ILE 287 Cb -0.22 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.60 1shz s ILE 287 CO 0.04 0.54 -0.17 -0.22 0.00 0.00 0.00 174.94 175.13 1shz s LEU 288 N -0.71 2.33 -0.32 2.97 2.96 -0.27 -1.28 118.68 124.36 1shz s LEU 288 Ca 0.21 -0.56 -0.08 0.00 -0.22 0.00 0.00 54.13 53.48 1shz s LEU 288 Cb -0.15 -1.53 0.01 0.00 0.50 0.00 0.00 46.19 45.02 1shz s LEU 288 CO 0.10 0.03 0.12 -0.36 -1.32 0.00 0.00 176.35 174.92 1shz s PHE 289 N 1.13 3.18 -0.89 5.38 0.40 -0.15 -1.16 117.98 125.87 1shz s PHE 289 Ca 0.01 -0.93 -0.20 0.00 -0.60 0.00 0.00 56.93 55.21 1shz s PHE 289 Cb -0.14 -2.31 0.12 0.00 0.51 0.00 0.00 43.02 41.19 1shz s PHE 289 CO -0.07 -0.58 1.12 -0.51 0.70 0.00 0.00 175.22 175.89 1shz s LEU 290 N 1.52 4.84 0.54 -0.37 1.43 0.74 -0.38 118.68 127.01 1shz s LEU 290 Ca 0.02 -1.83 -0.03 0.00 -1.03 0.00 0.00 54.13 51.26 1shz s LEU 290 Cb -0.18 -2.41 0.01 0.00 0.03 0.00 0.00 46.19 43.64 1shz s LEU 290 CO 0.04 -1.16 0.81 0.21 0.23 0.00 0.00 176.35 176.49 1shz s ASN 291 N 3.74 5.63 -0.58 2.29 2.47 0.25 -2.14 114.94 126.61 1shz s ASN 291 Ca 0.32 0.50 -0.02 0.00 0.42 0.00 0.00 52.86 54.08 1shz s ASN 291 Cb -0.06 -1.57 0.00 0.00 -1.45 0.00 0.00 41.25 38.17 1shz s ASN 291 CO -0.06 -0.96 0.50 0.29 -3.72 0.00 0.00 177.10 173.15 1shz n LYS 292 N -2.40 -3.32 0.16 0.43 5.02 -1.13 -0.71 118.16 116.23 1shz n LYS 292 Ca 0.04 0.39 0.03 0.00 -2.02 0.00 0.00 58.31 56.75 1shz n LYS 292 Cb 0.58 -4.05 0.18 0.00 -0.02 0.00 0.00 35.03 31.72 1shz n LYS 292 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1shz h LYS 293 N -1.03 0.00 -0.31 1.97 2.10 -1.75 -2.33 116.57 115.21 1shz h LYS 293 Ca -0.27 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.31 1shz h LYS 293 Cb 1.16 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.48 1shz h LYS 293 CO 0.24 0.48 -0.09 0.38 -2.00 0.00 0.00 179.45 178.46 1shz h ASP 294 N 0.00 0.61 0.69 7.07 2.03 -1.93 -0.71 116.42 124.18 1shz h ASP 294 Ca -0.00 -0.38 -0.11 0.00 -0.73 0.00 0.00 57.03 55.81 1shz h ASP 294 Cb 1.16 -0.17 -0.02 0.00 -0.83 0.00 0.00 39.33 39.48 1shz h ASP 294 CO 0.06 0.85 -0.52 -0.07 -1.03 0.00 0.00 179.24 178.53 1shz h LEU 295 N 0.37 0.00 0.01 0.15 3.38 -1.95 -3.19 115.31 114.07 1shz h LEU 295 Ca 0.08 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 1shz h LEU 295 Cb 0.59 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.35 1shz h LEU 295 CO 0.03 0.52 -0.47 0.15 0.09 0.00 0.00 178.44 178.76 1shz h PHE 296 N 0.00 0.46 -0.59 1.13 3.57 -1.35 -2.00 116.94 118.16 1shz h PHE 296 Ca -0.01 -0.26 0.17 0.00 3.53 0.00 0.00 57.97 61.41 1shz h PHE 296 Cb 1.00 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 1shz h PHE 296 CO 0.00 1.08 0.44 1.49 -2.23 0.00 0.00 178.31 179.09 1shz h GLU 297 N -0.30 0.00 -0.00 1.11 4.81 -1.14 0.47 114.58 119.52 1shz h GLU 297 Ca -0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1shz h GLU 297 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1shz h GLU 297 CO 0.09 0.00 -0.84 -1.91 -0.73 0.00 0.00 179.01 175.62 1shz n GLU 298 N -4.24 0.45 -0.07 1.92 2.13 -1.21 -4.46 120.64 115.17 1shz n GLU 298 Ca 0.11 -0.27 -0.17 0.00 0.66 0.00 0.00 57.16 57.49 1shz n GLU 298 Cb 0.68 -1.47 -0.13 0.00 0.27 0.00 0.00 31.44 30.79 1shz n GLU 298 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1shz h LYS 299 N 0.64 0.03 -0.92 5.31 1.63 0.67 -3.37 116.57 120.55 1shz h LYS 299 Ca 0.00 -0.04 0.14 0.00 -0.85 0.00 0.00 60.65 59.90 1shz h LYS 299 Cb 0.56 0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 32.11 1shz h LYS 299 CO 0.00 1.02 0.54 -0.84 -3.45 0.00 0.00 179.45 176.72 1shz h ILE 300 N -0.94 0.81 -0.47 2.00 -0.00 -1.41 -2.52 117.51 114.98 1shz h ILE 300 Ca -0.13 -0.27 0.08 0.00 -0.00 0.00 0.00 64.86 64.54 1shz h ILE 300 Cb 1.16 -0.05 -0.10 0.00 -0.00 0.00 0.00 36.82 37.83 1shz h ILE 300 CO -0.06 0.15 -0.41 0.11 -0.00 0.00 0.00 178.15 177.94 1shz h LYS 301 N 0.80 -0.26 0.00 0.16 1.57 -1.76 -3.35 116.57 113.72 1shz h LYS 301 Ca 0.49 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 1shz h LYS 301 Cb 0.60 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1shz h LYS 301 CO -0.32 -0.18 -0.22 1.57 -0.57 0.00 0.00 179.45 179.74 1shz h LYS 302 N -0.27 0.00 -6.56 3.15 2.10 -1.66 -3.46 116.57 109.86 1shz h LYS 302 Ca 0.16 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.30 1shz h LYS 302 Cb 0.57 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.88 1shz h LYS 302 CO -0.61 0.00 0.29 0.45 -2.00 0.00 0.00 179.45 177.57 1shz s SER 303 N -4.98 7.47 0.84 7.07 0.15 -1.02 -5.04 113.70 118.19 1shz s SER 303 Ca -0.06 1.75 -0.11 0.00 0.70 0.00 0.00 55.95 58.22 1shz s SER 303 Cb 0.01 -2.56 0.10 0.00 -1.71 0.00 0.00 66.02 61.86 1shz s SER 303 CO 0.10 0.07 1.09 -2.16 1.20 0.00 0.00 173.24 173.53 1shz s PRO 304 N -0.57 1.70 0.00 5.44 0.04 -1.26 -4.30 135.00 136.05 1shz s PRO 304 Ca 0.42 0.82 0.23 0.00 0.04 0.00 0.00 61.00 62.51 1shz s PRO 304 Cb -0.24 -1.86 0.15 0.00 0.04 0.00 0.00 34.50 32.59 1shz s PRO 304 CO 0.29 -1.93 1.17 -0.11 0.04 0.00 0.00 177.00 176.46 1shz n LEU 305 N -3.67 1.27 0.06 -3.56 7.94 -1.26 -4.03 117.00 113.75 1shz n LEU 305 Ca 0.07 -0.46 0.09 0.00 -1.11 0.00 0.00 56.01 54.61 1shz n LEU 305 Cb 0.55 -0.06 0.40 0.00 0.53 0.00 0.00 43.42 44.84 1shz n LEU 305 CO 0.56 0.26 0.79 0.35 -1.11 0.00 0.00 177.39 178.24 1shz n THR 306 N -0.85 0.92 0.83 1.96 -2.24 -1.26 -2.31 114.28 111.32 1shz n THR 306 Ca 0.08 0.24 0.08 0.00 -2.27 0.00 0.00 64.05 62.17 1shz n THR 306 Cb 0.38 -1.08 0.42 0.00 -2.10 0.00 0.00 70.33 67.95 1shz n THR 306 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1shz n ILE 307 N -1.86 0.34 0.00 2.28 5.41 -1.26 -3.28 119.36 120.99 1shz n ILE 307 Ca 0.03 0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.86 1shz n ILE 307 Cb 0.20 -0.84 0.00 0.00 -0.71 0.00 0.00 39.64 38.29 1shz n ILE 307 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1shz s TYR 309 N -1.36 2.37 0.51 0.00 2.02 -1.11 -4.97 117.35 114.82 1shz s TYR 309 Ca 0.00 -2.81 0.19 0.00 -0.37 0.00 0.00 57.07 54.08 1shz s TYR 309 Cb 0.00 -1.89 1.02 0.00 -0.40 0.00 0.00 41.96 40.69 1shz s TYR 309 CO 0.00 -0.69 1.54 -1.35 -1.57 0.00 0.00 175.55 173.48 1shz h PRO 310 N 5.69 0.00 -0.01 -1.71 0.11 -1.86 0.29 132.00 134.51 1shz h PRO 310 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1shz h PRO 310 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1shz h PRO 310 CO 0.55 0.00 -0.65 -0.85 -0.21 0.00 0.00 178.00 176.84 1shz n GLU 311 N -2.57 0.47 -1.85 1.05 0.00 -1.26 -4.90 120.64 111.57 1shz n GLU 311 Ca -0.01 -0.36 -0.43 0.00 0.00 0.00 0.00 57.16 56.36 1shz n GLU 311 Cb 0.51 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.43 1shz n GLU 311 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 1shz s TYR 312 N -2.78 1.61 -1.67 -1.84 5.04 0.10 -4.79 117.35 113.02 1shz s TYR 312 Ca 0.14 0.37 0.20 0.00 -2.44 0.00 0.00 57.07 55.34 1shz s TYR 312 Cb 0.17 -4.04 -0.05 0.00 0.35 0.00 0.00 41.96 38.40 1shz s TYR 312 CO 0.70 -3.79 0.97 0.00 -1.34 0.00 0.00 175.55 172.10 1shz n ALA 313 N 9.61 3.64 -1.00 3.97 0.00 -1.26 -4.89 120.51 130.58 1shz n ALA 313 Ca 0.23 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1shz n ALA 313 Cb 0.45 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1shz n ALA 313 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1shz n GLY 314 N 1.35 -2.98 3.82 0.00 0.00 -1.26 -5.06 105.19 101.06 1shz n GLY 314 Ca 0.07 -1.28 -0.22 0.00 0.00 0.00 0.00 46.02 44.60 1shz n GLY 314 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1shz s SER 315 N -1.80 5.01 -0.81 1.61 1.04 -1.26 -5.03 113.70 112.46 1shz s SER 315 Ca 0.00 -0.67 -0.05 0.00 0.48 0.00 0.00 55.95 55.71 1shz s SER 315 Cb 0.00 -0.78 0.02 0.00 0.10 0.00 0.00 66.02 65.36 1shz s SER 315 CO 0.00 -0.42 2.78 0.59 0.98 0.00 0.00 173.24 177.17 1shz n ASN 316 N -1.34 7.09 -4.76 7.02 3.02 -1.26 -4.37 115.26 120.66 1shz n ASN 316 Ca -0.01 -3.02 -0.31 0.00 -0.03 0.00 0.00 54.58 51.21 1shz n ASN 316 Cb 0.61 -1.34 -0.07 0.00 -0.61 0.00 0.00 39.78 38.37 1shz n ASN 316 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1shz s THR 317 N -0.96 4.47 0.06 3.41 2.01 -1.26 -4.37 115.64 119.01 1shz s THR 317 Ca 0.60 -0.70 -0.25 0.00 0.31 0.00 0.00 61.69 61.64 1shz s THR 317 Cb 0.28 -3.11 -0.16 0.00 0.01 0.00 0.00 72.50 69.52 1shz s THR 317 CO -0.13 0.20 1.61 0.22 -0.69 0.00 0.00 174.62 175.83 1shz h TYR 318 N 3.59 -0.17 -0.01 4.92 3.20 -1.91 0.18 116.97 126.77 1shz h TYR 318 Ca -0.47 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.39 1shz h TYR 318 Cb 1.17 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.49 1shz h TYR 318 CO 0.61 -0.02 0.01 1.49 -1.64 0.00 0.00 178.16 178.61 1shz h GLU 319 N -0.27 0.02 -0.32 1.82 4.57 -1.98 -1.48 114.58 116.93 1shz h GLU 319 Ca -0.02 -0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.99 1shz h GLU 319 Cb 0.22 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1shz h GLU 319 CO 0.03 0.04 -0.46 1.49 -1.18 0.00 0.00 179.01 178.93 1shz h GLU 320 N -0.01 0.86 -0.04 1.92 4.81 -1.90 -2.71 114.58 117.50 1shz h GLU 320 Ca 0.00 -0.49 -0.09 0.00 -0.13 0.00 0.00 59.36 58.65 1shz h GLU 320 Cb 0.03 0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.45 1shz h GLU 320 CO -0.00 1.13 -0.34 0.00 -0.73 0.00 0.00 179.01 179.07 1shz h ALA 321 N 0.79 0.10 -1.00 2.92 0.00 -0.98 -2.77 119.26 118.32 1shz h ALA 321 Ca 0.04 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.53 1shz h ALA 321 Cb 1.05 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1shz h ALA 321 CO 0.10 0.18 0.65 0.00 0.00 0.00 0.00 179.25 180.19 1shz h ALA 322 N 0.38 1.36 0.00 0.00 0.00 -1.36 -0.24 119.26 119.39 1shz h ALA 322 Ca -0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1shz h ALA 322 Cb 1.02 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1shz h ALA 322 CO 0.07 0.54 -0.26 0.00 0.00 0.00 0.00 179.25 179.60 1shz h ALA 323 N 1.42 1.21 -0.04 0.00 0.00 -1.53 -2.50 119.26 117.84 1shz h ALA 323 Ca 0.40 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1shz h ALA 323 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1shz h ALA 323 CO -0.13 0.32 -0.11 -0.92 0.00 0.00 0.00 179.25 178.41 1shz h TYR 324 N 0.00 0.19 -0.77 0.00 3.20 -0.79 -3.20 116.97 115.61 1shz h TYR 324 Ca -0.00 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.80 1shz h TYR 324 Cb 0.60 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 1shz h TYR 324 CO 0.00 0.73 0.51 0.82 -1.64 0.00 0.00 178.16 178.58 1shz h ILE 325 N -0.41 1.19 0.00 1.81 2.04 -1.13 -1.72 117.51 119.28 1shz h ILE 325 Ca -0.00 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1shz h ILE 325 Cb 0.74 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1shz h ILE 325 CO 0.02 0.19 -0.01 -0.61 0.00 0.00 0.00 178.15 177.74 1shz h GLN 326 N 1.03 0.00 0.01 2.37 4.15 -1.53 -0.40 115.11 120.74 1shz h GLN 326 Ca 0.29 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.48 1shz h GLN 326 Cb -0.10 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 1shz h GLN 326 CO -0.07 0.01 -1.14 0.00 -1.93 0.00 0.00 178.83 175.71 1shz h GLN 328 N 0.00 0.57 0.00 0.00 1.08 -0.20 -2.24 115.11 114.33 1shz h GLN 328 Ca -0.07 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 1shz h GLN 328 Cb 1.82 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 29.12 1shz h GLN 328 CO 0.12 0.38 -0.26 0.74 -0.95 0.00 0.00 178.83 178.87 1shz h PHE 329 N 0.59 0.00 0.00 2.96 0.04 -1.46 -3.36 116.94 115.71 1shz h PHE 329 Ca 0.30 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.07 1shz h PHE 329 Cb 0.42 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.57 1shz h PHE 329 CO -0.00 0.27 0.25 0.93 -0.60 0.00 0.00 178.31 179.16 1shz h GLU 330 N -1.00 0.00 0.00 1.51 5.08 -1.43 0.31 114.58 119.04 1shz h GLU 330 Ca -0.03 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1shz h GLU 330 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1shz h GLU 330 CO -0.02 0.00 -0.34 0.22 -1.00 0.00 0.00 179.01 177.87 1shz h ASP 331 N 0.00 0.00 0.40 1.42 3.58 -1.54 -2.83 116.42 117.45 1shz h ASP 331 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1shz h ASP 331 Cb 0.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1shz h ASP 331 CO 0.00 0.34 0.00 0.18 -2.88 0.00 0.00 179.24 176.88 1shz n LEU 332 N -3.30 0.00 -4.60 2.28 4.77 0.11 -4.62 117.00 111.64 1shz n LEU 332 Ca 0.01 0.40 -0.43 0.00 -0.03 0.00 0.00 56.01 55.96 1shz n LEU 332 Cb 0.58 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1shz n LEU 332 CO 0.37 -0.20 1.28 0.21 -1.33 0.00 0.00 177.39 177.72 1shz s ASN 333 N -2.80 6.24 0.44 -1.43 3.84 -1.07 -4.86 114.94 115.29 1shz s ASN 333 Ca 0.10 0.82 0.23 0.00 0.21 0.00 0.00 52.86 54.23 1shz s ASN 333 Cb 0.10 -2.54 0.44 0.00 -0.55 0.00 0.00 41.25 38.70 1shz s ASN 333 CO 0.25 -1.51 1.64 0.11 -2.79 0.00 0.00 177.10 174.80 1shz h LYS 334 N 11.08 0.00 -2.27 0.43 1.57 -1.90 -3.32 116.57 122.17 1shz h LYS 334 Ca -0.28 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 57.80 1shz h LYS 334 Cb 1.11 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 33.08 1shz h LYS 334 CO 1.09 0.06 0.21 0.54 -0.57 0.00 0.00 179.45 180.79 1shz n ARG 335 N -3.12 4.37 0.17 3.15 3.00 -1.26 -4.83 116.66 118.14 1shz n ARG 335 Ca 0.03 -4.76 0.13 0.00 -0.01 0.00 0.00 57.85 53.23 1shz n ARG 335 Cb 0.52 -2.36 0.60 0.00 0.00 0.00 0.00 32.46 31.23 1shz n ARG 335 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1shz h LYS 336 N 3.60 0.00 0.00 5.56 1.57 -1.78 -0.92 116.57 124.60 1shz h LYS 336 Ca 0.34 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.02 1shz h LYS 336 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1shz h LYS 336 CO 1.00 0.00 -0.60 -0.44 -0.57 0.00 0.00 179.45 178.85 1shz h ASP 337 N 0.00 0.00 0.00 0.86 3.32 -1.94 -3.43 116.42 115.23 1shz h ASP 337 Ca 0.00 -0.57 -0.02 0.00 0.02 0.00 0.00 57.03 56.47 1shz h ASP 337 Cb 0.16 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 1shz h ASP 337 CO 0.00 1.13 -0.28 0.74 -1.72 0.00 0.00 179.24 179.10 1shz h THR 338 N -1.00 0.21 -3.38 0.35 2.02 -1.95 -3.47 112.91 105.70 1shz h THR 338 Ca -0.15 -1.19 -0.52 0.00 0.77 0.00 0.00 66.41 65.32 1shz h THR 338 Cb 0.97 0.43 0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1shz h THR 338 CO -0.09 0.07 0.56 -0.75 0.37 0.00 0.00 175.52 175.68 1shz s LYS 339 N -1.93 4.47 -0.05 6.66 2.47 -0.36 -5.05 119.74 125.95 1shz s LYS 339 Ca -0.09 1.85 0.06 0.00 -1.56 0.00 0.00 55.97 56.23 1shz s LYS 339 Cb 0.01 -3.27 -0.01 0.00 -1.46 0.00 0.00 37.83 33.09 1shz s LYS 339 CO 0.18 -0.15 -0.24 -2.00 0.16 0.00 0.00 175.35 173.30 1shz s GLU 340 N 0.20 2.43 -0.16 4.03 2.12 -1.26 -4.48 118.70 121.59 1shz s GLU 340 Ca 0.55 -0.90 -0.04 0.00 0.36 0.00 0.00 54.97 54.94 1shz s GLU 340 Cb -0.32 -2.15 -0.03 0.00 0.26 0.00 0.00 34.13 31.90 1shz s GLU 340 CO 0.34 0.45 -0.02 0.42 -0.54 0.00 0.00 175.26 175.90 1shz s ILE 341 N -0.32 4.01 -0.74 -3.70 1.01 -1.26 -4.33 121.20 115.87 1shz s ILE 341 Ca 0.01 -0.31 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 1shz s ILE 341 Cb -0.12 -2.77 0.19 0.00 0.01 0.00 0.00 42.46 39.77 1shz s ILE 341 CO 0.02 0.49 0.65 -0.31 0.00 0.00 0.00 174.94 175.78 1shz s TYR 342 N 0.40 3.63 0.47 3.97 2.02 -1.02 -4.97 117.35 121.84 1shz s TYR 342 Ca -0.03 -2.16 -0.19 0.00 -0.37 0.00 0.00 57.07 54.32 1shz s TYR 342 Cb -0.14 -3.63 -0.09 0.00 -0.40 0.00 0.00 41.96 37.70 1shz s TYR 342 CO 0.03 -0.95 0.98 0.99 -1.57 0.00 0.00 175.55 175.03 1shz s THR 343 N 0.21 4.27 -0.08 -0.71 2.01 -1.26 -1.11 115.64 118.97 1shz s THR 343 Ca 0.16 1.30 -0.22 0.00 0.31 0.00 0.00 61.69 63.24 1shz s THR 343 Cb -0.15 -3.58 0.05 0.00 0.01 0.00 0.00 72.50 68.83 1shz s THR 343 CO -0.06 -0.41 0.52 -1.00 -0.69 0.00 0.00 174.62 172.98 1shz s HIS 344 N -2.27 -0.48 -0.35 4.92 3.76 -0.31 -4.90 115.29 115.66 1shz s HIS 344 Ca 0.62 0.94 -0.09 0.00 -0.15 0.00 0.00 55.06 56.38 1shz s HIS 344 Cb -0.11 0.25 0.03 0.00 1.11 0.00 0.00 32.58 33.85 1shz s HIS 344 CO 0.21 -0.45 0.15 -0.06 -0.85 0.00 0.00 174.74 173.74 1shz s PHE 345 N -0.83 3.23 0.45 1.40 0.08 -1.26 -0.18 117.98 120.86 1shz s PHE 345 Ca -0.09 -1.07 0.05 0.00 0.12 0.00 0.00 56.93 55.94 1shz s PHE 345 Cb -0.03 -2.36 -0.05 0.00 -0.57 0.00 0.00 43.02 40.02 1shz s PHE 345 CO 0.06 -0.65 0.08 0.95 -0.10 0.00 0.00 175.22 175.56 1shz s THR 346 N 1.50 1.83 -0.43 0.64 -4.23 -0.91 -4.97 115.64 109.08 1shz s THR 346 Ca 0.01 -1.88 0.05 0.00 -1.18 0.00 0.00 61.69 58.69 1shz s THR 346 Cb -0.19 -2.71 0.18 0.00 1.34 0.00 0.00 72.50 71.12 1shz s THR 346 CO 0.05 0.00 0.43 0.00 -0.54 0.00 0.00 174.62 174.55 1shz h ALA 348 N 5.44 2.79 0.00 0.00 0.00 -1.96 0.27 119.26 125.79 1shz h ALA 348 Ca 0.22 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1shz h ALA 348 Cb 0.95 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1shz h ALA 348 CO 0.30 -1.43 -0.04 1.79 0.00 0.00 0.00 179.25 179.87 1shz h THR 349 N 0.07 0.09 -3.55 0.00 1.35 -1.92 -3.42 112.91 105.52 1shz h THR 349 Ca 0.83 -0.69 -0.63 0.00 -0.55 0.00 0.00 66.41 65.38 1shz h THR 349 Cb 2.66 1.63 -0.13 0.00 -1.73 0.00 0.00 68.15 70.58 1shz h THR 349 CO -0.41 0.04 0.14 -0.62 -0.25 0.00 0.00 175.52 174.42 1shz s ASP 350 N -5.85 6.45 0.05 5.36 -1.08 0.93 -4.97 116.67 117.57 1shz s ASP 350 Ca 0.02 0.25 -0.33 0.00 -0.52 0.00 0.00 52.55 51.97 1shz s ASP 350 Cb 0.09 -2.33 -0.19 0.00 -1.46 0.00 0.00 42.92 39.03 1shz s ASP 350 CO 0.58 -0.55 1.49 0.74 0.52 0.00 0.00 175.17 177.95 1shz h THR 351 N 5.63 0.21 -0.92 1.71 2.02 -1.83 -2.28 112.91 117.44 1shz h THR 351 Ca -0.26 -0.10 0.25 0.00 0.77 0.00 0.00 66.41 67.07 1shz h THR 351 Cb 1.11 0.23 -0.13 0.00 -1.74 0.00 0.00 68.15 67.62 1shz h THR 351 CO 0.82 0.01 0.40 0.11 0.37 0.00 0.00 175.52 177.23 1shz h LYS 352 N -1.10 0.33 -0.25 6.66 1.57 -1.95 0.35 116.57 122.19 1shz h LYS 352 Ca -0.10 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 1shz h LYS 352 Cb 0.80 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1shz h LYS 352 CO 0.17 0.22 -0.09 -0.97 -0.57 0.00 0.00 179.45 178.21 1shz h ASN 353 N 0.34 0.51 -0.49 0.86 -0.00 -1.87 -2.08 115.58 112.86 1shz h ASN 353 Ca 0.60 -0.39 -0.01 0.00 -0.00 0.00 0.00 56.30 56.50 1shz h ASN 353 Cb 1.21 -0.14 -0.03 0.00 -0.00 0.00 0.00 38.32 39.37 1shz h ASN 353 CO -0.58 0.78 0.28 0.58 -0.00 0.00 0.00 177.43 178.49 1shz h VAL 354 N 0.23 1.16 -0.06 2.57 2.07 -0.45 -0.98 116.25 120.79 1shz h VAL 354 Ca 0.06 -0.39 -0.16 0.00 0.82 0.00 0.00 66.70 67.03 1shz h VAL 354 Cb 0.57 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1shz h VAL 354 CO 0.03 0.17 -0.65 -0.61 0.02 0.00 0.00 177.57 176.53 1shz h GLN 355 N 0.70 0.26 0.15 1.57 4.15 -0.88 -1.61 115.11 119.45 1shz h GLN 355 Ca 0.18 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1shz h GLN 355 Cb 0.02 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.74 1shz h GLN 355 CO -0.03 0.82 -0.07 0.35 -1.93 0.00 0.00 178.83 177.96 1shz h PHE 356 N 0.18 -0.19 -0.61 3.99 3.57 -0.92 -3.07 116.94 119.89 1shz h PHE 356 Ca -0.01 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1shz h PHE 356 Cb 1.18 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.95 1shz h PHE 356 CO 0.03 0.25 0.36 0.28 -2.23 0.00 0.00 178.31 177.00 1shz h VAL 357 N -0.76 1.17 0.00 1.41 2.07 -1.24 -2.44 116.25 116.46 1shz h VAL 357 Ca -0.02 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 1shz h VAL 357 Cb 0.53 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1shz h VAL 357 CO 0.03 0.18 -0.35 0.15 0.02 0.00 0.00 177.57 177.61 1shz h PHE 358 N 0.84 0.00 0.00 1.57 3.57 -1.37 -2.22 116.94 119.33 1shz h PHE 358 Ca 0.22 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.58 1shz h PHE 358 Cb -0.03 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1shz h PHE 358 CO 0.00 0.35 -0.68 0.22 -2.23 0.00 0.00 178.31 175.97 1shz h ASP 359 N 0.00 0.00 1.83 0.41 1.82 -1.34 -1.73 116.42 117.41 1shz h ASP 359 Ca -0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.60 1shz h ASP 359 Cb 0.87 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.88 1shz h ASP 359 CO 0.05 0.68 -0.15 0.00 -1.61 0.00 0.00 179.24 178.21 1shz h ALA 360 N 1.32 0.90 0.18 -0.78 0.00 -1.28 -2.95 119.26 116.66 1shz h ALA 360 Ca -0.01 -0.14 -0.31 0.00 0.00 0.00 0.00 54.91 54.46 1shz h ALA 360 Cb 1.23 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.02 1shz h ALA 360 CO 0.09 0.19 -1.39 0.28 0.00 0.00 0.00 179.25 178.42 1shz h VAL 361 N 0.00 1.36 -0.24 0.00 2.07 -1.14 -3.19 116.25 115.12 1shz h VAL 361 Ca -0.00 -2.88 -0.14 0.00 0.82 0.00 0.00 66.70 64.50 1shz h VAL 361 Cb 1.11 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.83 1shz h VAL 361 CO 0.02 0.85 -0.44 0.74 0.02 0.00 0.00 177.57 178.76 1shz h THR 362 N 0.10 1.30 0.00 2.57 2.02 -1.35 -2.11 112.91 115.44 1shz h THR 362 Ca -0.20 -1.63 -0.04 0.00 0.77 0.00 0.00 66.41 65.30 1shz h THR 362 Cb 2.06 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 70.06 1shz h THR 362 CO 0.23 0.51 -0.21 0.44 0.37 0.00 0.00 175.52 176.86 1shz h ASP 363 N 0.48 0.00 0.02 4.18 3.32 -1.61 -1.99 116.42 120.82 1shz h ASP 363 Ca 0.03 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.92 1shz h ASP 363 Cb 0.96 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.53 1shz h ASP 363 CO 0.09 0.21 -0.66 0.58 -1.72 0.00 0.00 179.24 177.74 1shz h VAL 364 N 0.00 1.43 -0.96 -1.35 2.07 -1.48 -2.75 116.25 113.21 1shz h VAL 364 Ca -0.00 -2.16 0.03 0.00 0.82 0.00 0.00 66.70 65.39 1shz h VAL 364 Cb 0.45 2.68 -0.05 0.00 -1.52 0.00 0.00 31.29 32.85 1shz h VAL 364 CO 0.03 0.63 0.63 0.40 0.02 0.00 0.00 177.57 179.28 1shz h ILE 365 N -0.12 1.20 -0.11 4.57 2.04 -1.12 -1.95 117.51 122.02 1shz h ILE 365 Ca -0.09 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 1shz h ILE 365 Cb 1.38 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1shz h ILE 365 CO 0.13 0.23 -0.03 0.40 0.00 0.00 0.00 178.15 178.88 1shz h ILE 366 N 1.24 1.29 0.00 -0.67 2.04 -1.43 -3.02 117.51 116.97 1shz h ILE 366 Ca 0.37 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 1shz h ILE 366 Cb -0.05 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1shz h ILE 366 CO -0.10 0.28 -0.17 0.11 0.00 0.00 0.00 178.15 178.27 1shz h LYS 367 N -0.11 0.00 -0.24 2.37 1.57 -1.28 -1.35 116.57 117.52 1shz h LYS 367 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1shz h LYS 367 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1shz h LYS 367 CO 0.01 0.17 0.00 0.09 -0.57 0.00 0.00 179.45 179.15 1shz n ASN 368 N -4.23 1.77 0.11 0.86 4.13 -0.75 -4.42 115.26 112.73 1shz n ASN 368 Ca -0.02 -1.82 0.00 0.00 1.68 0.00 0.00 54.58 54.41 1shz n ASN 368 Cb 0.24 -0.16 0.00 0.00 -1.54 0.00 0.00 39.78 38.32 1shz n ASN 368 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1shz n ASN 369 N 0.41 -0.14 -2.63 6.41 3.02 -1.02 -4.92 115.26 116.40 1shz n ASN 369 Ca 0.15 0.37 -0.28 0.00 -0.03 0.00 0.00 54.58 54.79 1shz n ASN 369 Cb 0.32 0.31 -0.06 0.00 -0.61 0.00 0.00 39.78 39.75 1shz n ASN 369 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1shz n LEU 370 N -3.23 6.66 -0.92 3.41 7.99 -0.54 -5.10 117.00 125.26 1shz n LEU 370 Ca 0.00 -4.14 0.12 0.00 -0.01 0.00 0.00 56.01 51.98 1shz n LEU 370 Cb 0.00 -1.27 0.14 0.00 -0.11 0.00 0.00 43.42 42.17 1shz n LEU 370 CO 0.00 1.79 0.65 1.17 -1.51 0.00 0.00 177.39 179.49