#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3icm h ALA 2 N 0.00 0.96 -0.47 -5.12 0.00 -2.06 -1.70 119.26 110.87 3icm h ALA 2 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3icm h ALA 2 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3icm h ALA 2 CO 0.00 0.21 0.07 0.66 0.00 0.00 0.00 179.25 180.19 3icm h SER 3 N 0.87 0.75 -0.90 0.00 4.64 -2.06 -2.07 113.55 114.77 3icm h SER 3 Ca 0.30 -0.27 0.06 0.00 -0.47 0.00 0.00 61.79 61.42 3icm h SER 3 Cb 0.06 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 61.88 3icm h SER 3 CO -0.13 0.82 0.57 -0.03 -0.87 0.00 0.00 176.83 177.20 3icm h MET 4 N 0.64 1.00 -0.23 4.77 -1.53 -1.97 0.66 114.93 118.27 3icm h MET 4 Ca 0.14 -0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 56.33 3icm h MET 4 Cb 0.40 -0.23 -0.01 0.00 -0.55 0.00 0.00 31.60 31.21 3icm h MET 4 CO 0.01 0.66 0.12 0.93 0.14 0.00 0.00 176.91 178.77 3icm h GLU 5 N 1.03 0.32 -0.29 0.39 4.39 -0.87 -0.75 114.58 118.79 3icm h GLU 5 Ca 0.39 -0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.89 3icm h GLU 5 Cb 0.18 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3icm h GLU 5 CO -0.18 0.25 -0.50 0.00 -1.16 0.00 0.00 179.01 177.42 3icm h ARG 6 N 0.32 0.86 -0.91 2.33 3.08 -0.62 -1.75 114.38 117.69 3icm h ARG 6 Ca 0.08 -0.53 0.04 0.00 0.07 0.00 0.00 59.98 59.64 3icm h ARG 6 Cb 0.03 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.08 3icm h ARG 6 CO -0.01 1.17 0.59 0.35 -1.07 0.00 0.00 179.97 181.00 3icm h PHE 7 N 0.64 1.11 0.00 3.04 3.57 -0.47 -2.64 116.94 122.19 3icm h PHE 7 Ca 0.02 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 3icm h PHE 7 Cb 1.11 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 3icm h PHE 7 CO 0.07 0.62 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.48 3icm h LEU 8 N 1.13 0.00 -0.59 0.59 3.38 -1.07 -2.25 115.31 116.50 3icm h LEU 8 Ca 0.37 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.23 3icm h LEU 8 Cb 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3icm h LEU 8 CO -0.13 0.23 -0.54 0.77 0.09 0.00 0.00 178.44 178.86 3icm h SER 9 N 0.00 0.00 0.62 -0.43 4.64 -0.95 -2.09 113.55 115.33 3icm h SER 9 Ca -0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 3icm h SER 9 Cb 0.82 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.90 3icm h SER 9 CO 0.03 0.54 -0.80 0.58 -0.87 0.00 0.00 176.83 176.31 3icm h VAL 10 N 0.00 1.50 -0.31 0.95 2.07 -1.23 -2.49 116.25 116.74 3icm h VAL 10 Ca -0.01 -2.53 0.03 0.00 0.82 0.00 0.00 66.70 65.01 3icm h VAL 10 Cb 1.16 2.38 -0.03 0.00 -1.52 0.00 0.00 31.29 33.28 3icm h VAL 10 CO 0.07 0.73 0.14 0.22 0.02 0.00 0.00 177.57 178.76 3icm h TYR 11 N 0.08 0.26 -0.79 1.57 3.20 -1.22 -1.14 116.97 118.93 3icm h TYR 11 Ca -0.03 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.88 3icm h TYR 11 Cb 1.39 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 39.55 3icm h TYR 11 CO 0.02 0.14 0.51 -0.44 -1.64 0.00 0.00 178.16 176.74 3icm h ASP 12 N 0.30 0.86 -0.36 -2.11 3.32 -1.28 0.27 116.42 117.42 3icm h ASP 12 Ca 0.13 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3icm h ASP 12 Cb 0.06 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3icm h ASP 12 CO -0.10 0.60 0.21 -0.08 -1.72 0.00 0.00 179.24 178.15 3icm h GLU 13 N 1.01 0.48 -0.41 3.56 4.81 -1.32 -1.58 114.58 121.12 3icm h GLU 13 Ca 0.31 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 3icm h GLU 13 Cb -0.03 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 3icm h GLU 13 CO -0.10 0.37 0.19 0.28 -0.73 0.00 0.00 179.01 179.02 3icm h VAL 14 N 0.46 1.18 -0.53 0.32 2.07 -0.70 0.18 116.25 119.23 3icm h VAL 14 Ca 0.13 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.15 3icm h VAL 14 Cb 0.01 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 3icm h VAL 14 CO -0.02 0.20 0.31 -0.61 0.02 0.00 0.00 177.57 177.46 3icm h GLN 15 N 0.53 0.58 -0.16 1.57 4.15 -0.44 -1.03 115.11 120.31 3icm h GLN 15 Ca 0.14 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 3icm h GLN 15 Cb 0.14 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 3icm h GLN 15 CO -0.02 0.39 0.09 0.00 -1.93 0.00 0.00 178.83 177.36 3icm h ALA 16 N 1.25 0.21 -0.38 3.38 0.00 -0.93 -0.54 119.26 122.25 3icm h ALA 16 Ca 0.22 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3icm h ALA 16 Cb 0.05 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3icm h ALA 16 CO -0.11 -0.25 -0.00 0.35 0.00 0.00 0.00 179.25 179.23 3icm h PHE 17 N 0.16 -0.03 -0.61 0.00 3.57 -0.21 -0.77 116.94 119.04 3icm h PHE 17 Ca 0.06 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.49 3icm h PHE 17 Cb 0.08 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 3icm h PHE 17 CO -0.04 -0.08 0.01 -0.07 -2.23 0.00 0.00 178.31 175.91 3icm h LEU 18 N 0.10 1.05 0.08 0.59 3.38 -0.76 -1.07 115.31 118.68 3icm h LEU 18 Ca 0.18 -0.30 -0.27 0.00 0.09 0.00 0.00 57.88 57.58 3icm h LEU 18 Cb 0.26 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.74 3icm h LEU 18 CO -0.31 1.10 -1.21 -0.07 0.09 0.00 0.00 178.44 178.03 3icm h LEU 19 N 0.98 0.52 -0.58 1.67 3.38 -1.00 -2.36 115.31 117.93 3icm h LEU 19 Ca 0.18 -0.52 -0.11 0.00 0.09 0.00 0.00 57.88 57.51 3icm h LEU 19 Cb 0.55 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3icm h LEU 19 CO 0.03 1.39 -0.08 0.44 0.09 0.00 0.00 178.44 180.30 3icm h ASP 20 N 0.12 1.04 -0.86 -0.43 3.32 -1.01 -2.65 116.42 115.95 3icm h ASP 20 Ca -0.14 -0.34 0.03 0.00 0.02 0.00 0.00 57.03 56.60 3icm h ASP 20 Cb 1.92 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 41.13 3icm h ASP 20 CO 0.21 1.14 0.57 -0.61 -1.72 0.00 0.00 179.24 178.82 3icm h GLN 21 N 0.94 1.07 -0.83 3.56 4.15 -1.18 0.21 115.11 123.04 3icm h GLN 21 Ca 0.15 -0.06 0.07 0.00 0.77 0.00 0.00 58.65 59.57 3icm h GLN 21 Cb 0.65 -0.24 -0.06 0.00 0.21 0.00 0.00 27.48 28.04 3icm h GLN 21 CO 0.05 0.71 0.51 -0.07 -1.93 0.00 0.00 178.83 178.09 3icm h LEU 22 N 1.11 0.78 -0.12 -2.39 3.38 -1.36 0.83 115.31 117.54 3icm h LEU 22 Ca 0.34 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.17 3icm h LEU 22 Cb -0.02 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.60 3icm h LEU 22 CO -0.09 0.49 -0.53 -0.61 0.09 0.00 0.00 178.44 177.79 3icm h GLN 23 N 0.91 0.58 0.00 1.13 4.15 -0.94 -2.03 115.11 118.90 3icm h GLN 23 Ca 0.37 -0.46 -0.04 0.00 0.77 0.00 0.00 58.65 59.29 3icm h GLN 23 Cb 0.21 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 3icm h GLN 23 CO -0.19 1.08 -0.27 0.66 -1.93 0.00 0.00 178.83 178.18 3icm h SER 24 N 0.21 0.00 0.00 -0.69 4.64 -0.92 -3.36 113.55 113.43 3icm h SER 24 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3icm h SER 24 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3icm h SER 24 CO 0.11 0.17 -0.47 1.17 -0.87 0.00 0.00 176.83 176.94 3icm n LYS 25 N -3.10 2.82 0.00 4.77 4.81 0.28 -4.85 118.16 122.88 3icm n LYS 25 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 3icm n LYS 25 Cb 0.60 -0.70 0.00 0.00 0.02 0.00 0.00 35.03 34.95 3icm n LYS 25 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3icm n TYR 26 N -0.81 0.00 -2.36 5.64 4.01 -0.95 -5.00 117.16 117.70 3icm n TYR 26 Ca 0.00 -0.44 -0.18 0.00 -0.16 0.00 0.00 57.90 57.12 3icm n TYR 26 Cb 0.00 -0.04 -0.01 0.00 -0.31 0.00 0.00 39.34 38.98 3icm n TYR 26 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3icm n GLU 27 N -0.44 -1.51 -2.37 -0.72 1.02 -1.06 -4.94 120.64 110.61 3icm n GLU 27 Ca 0.00 0.87 -0.35 0.00 -0.02 0.00 0.00 57.16 57.65 3icm n GLU 27 Cb 0.25 -5.37 -0.02 0.00 -0.02 0.00 0.00 31.44 26.28 3icm n GLU 27 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3icm s ILE 28 N -2.90 3.38 0.29 -3.67 2.07 -0.81 -5.02 121.20 114.54 3icm s ILE 28 Ca 0.01 0.93 0.01 0.00 -1.41 0.00 0.00 60.65 60.19 3icm s ILE 28 Cb -0.00 -3.42 -0.04 0.00 0.13 0.00 0.00 42.46 39.13 3icm s ILE 28 CO 0.01 -0.12 0.48 1.51 -1.91 0.00 0.00 174.94 174.91 3icm s ASP 29 N -1.69 6.33 0.42 4.50 -4.77 -1.26 -4.70 116.67 115.49 3icm s ASP 29 Ca 0.67 0.39 0.17 0.00 -3.30 0.00 0.00 52.55 50.47 3icm s ASP 29 Cb -0.23 -2.00 1.07 0.00 -1.09 0.00 0.00 42.92 40.67 3icm s ASP 29 CO 0.27 -0.19 1.86 -0.65 0.70 0.00 0.00 175.17 177.16 3icm h PRO 30 N 1.16 0.41 -0.06 2.11 0.11 -1.99 -1.55 132.00 132.20 3icm h PRO 30 Ca -0.50 -0.02 -0.23 0.00 0.11 0.00 0.00 66.00 65.36 3icm h PRO 30 Cb 1.21 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.24 3icm h PRO 30 CO 0.63 0.27 -0.88 -0.91 -0.21 0.00 0.00 178.00 176.90 3icm h ASN 31 N 0.42 0.75 0.23 -2.05 2.35 -1.99 -1.58 115.58 113.71 3icm h ASN 31 Ca 0.46 -0.55 -0.16 0.00 -0.55 0.00 0.00 56.30 55.51 3icm h ASN 31 Cb 1.12 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 3icm h ASN 31 CO -0.18 1.34 -0.61 0.03 -1.65 0.00 0.00 177.43 176.36 3icm h ARG 32 N 0.38 0.38 -0.46 0.81 3.08 -1.92 -1.45 114.38 115.20 3icm h ARG 32 Ca -0.08 -0.26 0.05 0.00 0.07 0.00 0.00 59.98 59.76 3icm h ARG 32 Cb 1.51 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.55 3icm h ARG 32 CO 0.17 0.87 0.20 0.00 -1.07 0.00 0.00 179.97 180.14 3icm h ALA 33 N 1.07 0.57 -0.10 0.04 0.00 -1.25 -1.27 119.26 118.32 3icm h ALA 33 Ca -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3icm h ALA 33 Cb 1.14 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3icm h ALA 33 CO 0.10 -0.16 0.06 -0.09 0.00 0.00 0.00 179.25 179.16 3icm h ARG 34 N 0.41 0.14 -0.87 0.00 2.43 -1.10 0.16 114.38 115.55 3icm h ARG 34 Ca 0.21 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.47 3icm h ARG 34 Cb 0.15 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.59 3icm h ARG 34 CO -0.17 0.16 0.50 -0.92 -1.51 0.00 0.00 179.97 178.02 3icm h TYR 35 N 0.09 0.90 -0.08 2.20 5.03 -1.00 -0.54 116.97 123.57 3icm h TYR 35 Ca 0.04 0.03 -0.19 0.00 2.58 0.00 0.00 58.73 61.19 3icm h TYR 35 Cb 0.05 -0.27 -0.00 0.00 1.55 0.00 0.00 36.73 38.06 3icm h TYR 35 CO -0.05 0.33 -0.74 -0.07 -1.32 0.00 0.00 178.16 176.31 3icm h LEU 36 N 0.80 0.51 -0.30 2.82 3.38 -0.88 0.64 115.31 122.27 3icm h LEU 36 Ca 0.43 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3icm h LEU 36 Cb 0.46 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3icm h LEU 36 CO -0.28 1.08 0.15 -0.09 0.09 0.00 0.00 178.44 179.40 3icm h ARG 37 N 0.29 0.43 -0.31 1.13 2.43 -0.51 0.30 114.38 118.14 3icm h ARG 37 Ca -0.03 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 3icm h ARG 37 Cb 1.32 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 3icm h ARG 37 CO 0.13 0.39 0.04 0.82 -1.51 0.00 0.00 179.97 179.84 3icm h ILE 38 N 0.36 1.24 -0.45 1.20 2.04 -0.95 -0.07 117.51 120.87 3icm h ILE 38 Ca 0.11 -0.85 0.08 0.00 1.00 0.00 0.00 64.86 65.20 3icm h ILE 38 Cb 0.09 1.18 -0.07 0.00 -0.74 0.00 0.00 36.82 37.29 3icm h ILE 38 CO -0.01 0.28 0.06 -0.03 0.00 0.00 0.00 178.15 178.45 3icm h MET 39 N 0.35 0.18 -0.17 2.37 4.05 -0.83 0.56 114.93 121.44 3icm h MET 39 Ca 0.09 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.49 3icm h MET 39 Cb 0.37 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 3icm h MET 39 CO 0.01 0.12 0.07 1.98 0.23 0.00 0.00 176.91 179.32 3icm h MET 40 N 0.19 0.25 -0.63 0.39 1.85 -0.69 -0.53 114.93 115.76 3icm h MET 40 Ca 0.23 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.27 3icm h MET 40 Cb 0.30 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.26 3icm h MET 40 CO -0.32 0.33 0.41 -0.44 -0.40 0.00 0.00 176.91 176.49 3icm h ASP 41 N 0.12 0.72 0.68 1.39 3.32 -0.69 -0.36 116.42 121.60 3icm h ASP 41 Ca 0.06 -0.02 -0.27 0.00 0.02 0.00 0.00 57.03 56.82 3icm h ASP 41 Cb 0.17 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3icm h ASP 41 CO -0.00 0.53 -1.33 0.74 -1.72 0.00 0.00 179.24 177.46 3icm h THR 42 N 0.85 1.36 0.00 0.35 2.02 -0.43 -2.73 112.91 114.33 3icm h THR 42 Ca 0.23 -3.05 -0.04 0.00 0.77 0.00 0.00 66.41 64.32 3icm h THR 42 Cb -0.09 2.77 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 3icm h THR 42 CO -0.05 0.84 -1.46 0.35 0.37 0.00 0.00 175.52 175.57 3icm n THR 43 N -3.37 0.54 -0.03 3.16 -2.24 -0.25 -4.49 114.28 107.61 3icm n THR 43 Ca -0.09 -0.57 0.01 0.00 -2.27 0.00 0.00 64.05 61.13 3icm n THR 43 Cb 1.01 -0.30 -0.11 0.00 -2.10 0.00 0.00 70.33 68.83 3icm n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3icm s LEU 45 N -4.43 3.83 0.00 0.00 1.43 -1.03 -4.65 118.68 113.83 3icm s LEU 45 Ca -0.06 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3icm s LEU 45 Cb 0.07 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.85 3icm s LEU 45 CO 0.58 -0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.52 3icm n GLY 46 N -1.38 0.20 0.00 -3.19 0.00 -1.26 -4.82 105.19 94.74 3icm n GLY 46 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3icm n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3icm n GLY 47 N -2.00 -0.86 0.12 -0.02 0.00 -1.26 -4.97 105.19 96.20 3icm n GLY 47 Ca 0.00 -1.70 0.12 0.00 0.00 0.00 0.00 46.02 44.44 3icm n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3icm h LYS 48 N 0.00 0.00 -3.83 1.61 1.57 -1.97 -3.48 116.57 110.47 3icm h LYS 48 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 3icm h LYS 48 Cb 0.00 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.35 3icm h LYS 48 CO 0.00 0.00 -0.54 0.66 -0.57 0.00 0.00 179.45 179.00 3icm n TYR 49 N -2.54 -1.62 -0.07 -1.35 4.02 -1.26 -4.95 117.16 109.40 3icm n TYR 49 Ca 0.03 0.38 -0.12 0.00 -0.01 0.00 0.00 57.90 58.19 3icm n TYR 49 Cb 0.49 -4.12 -0.05 0.00 -0.02 0.00 0.00 39.34 35.64 3icm n TYR 49 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 3icm h PHE 50 N -1.02 0.39 0.26 -0.72 3.57 -1.98 -0.69 116.94 116.74 3icm h PHE 50 Ca -0.48 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 60.94 3icm h PHE 50 Cb 1.34 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.98 3icm h PHE 50 CO 0.49 0.56 -0.12 0.00 -2.23 0.00 0.00 178.31 177.00 3icm h ARG 51 N 0.11 -0.33 -0.11 1.11 3.08 -1.92 -1.53 114.38 114.77 3icm h ARG 51 Ca 0.06 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.16 3icm h ARG 51 Cb 0.41 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 3icm h ARG 51 CO 0.01 -0.20 -0.09 0.78 -1.07 0.00 0.00 179.97 179.40 3icm h GLY 52 N -0.38 0.00 2.00 0.04 0.00 -1.70 -2.85 103.07 100.18 3icm h GLY 52 Ca -0.04 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 3icm h GLY 52 CO 0.06 -0.10 -0.12 -0.33 0.00 0.00 0.00 176.54 176.04 3icm h MET 53 N -0.10 0.00 -0.51 4.80 2.86 -1.13 -1.77 114.93 119.08 3icm h MET 53 Ca 0.08 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3icm h MET 53 Cb 0.21 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 3icm h MET 53 CO -0.18 0.12 0.17 1.15 1.06 0.00 0.00 176.91 179.23 3icm h THR 54 N 0.00 1.23 -0.36 2.22 2.02 -1.03 -1.36 112.91 115.63 3icm h THR 54 Ca -0.00 -0.75 0.05 0.00 0.77 0.00 0.00 66.41 66.48 3icm h THR 54 Cb 0.40 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.52 3icm h THR 54 CO 0.02 0.28 0.09 0.58 0.37 0.00 0.00 175.52 176.85 3icm h VAL 55 N 0.70 0.84 -0.69 3.16 2.07 -1.29 -0.05 116.25 120.99 3icm h VAL 55 Ca 0.17 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 3icm h VAL 55 Cb 0.26 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3icm h VAL 55 CO -0.01 0.04 0.33 0.58 0.02 0.00 0.00 177.57 178.53 3icm h VAL 56 N 0.22 1.23 -0.39 2.57 2.07 -1.47 -2.10 116.25 118.37 3icm h VAL 56 Ca 0.17 -0.66 -0.15 0.00 0.82 0.00 0.00 66.70 66.88 3icm h VAL 56 Cb 0.18 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3icm h VAL 56 CO -0.21 0.27 -0.34 -1.13 0.02 0.00 0.00 177.57 176.18 3icm h ASN 57 N 0.97 0.98 -0.19 0.57 -1.24 -0.97 0.59 115.58 116.28 3icm h ASN 57 Ca 0.24 -0.45 0.05 0.00 0.71 0.00 0.00 56.30 56.84 3icm h ASN 57 Cb 0.13 -0.27 -0.05 0.00 0.73 0.00 0.00 38.32 38.86 3icm h ASN 57 CO -0.03 1.23 -0.10 0.58 -1.29 0.00 0.00 177.43 177.82 3icm h VAL 58 N 0.74 0.69 -0.45 2.57 2.07 -0.92 -1.91 116.25 119.04 3icm h VAL 58 Ca 0.07 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 3icm h VAL 58 Cb 0.93 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3icm h VAL 58 CO 0.09 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.79 3icm h ALA 59 N 1.08 0.59 -0.90 1.67 0.00 -1.18 -2.14 119.26 118.38 3icm h ALA 59 Ca 0.11 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.93 3icm h ALA 59 Cb 0.24 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 3icm h ALA 59 CO -0.24 0.26 0.54 0.93 0.00 0.00 0.00 179.25 180.74 3icm h GLU 60 N 0.59 0.84 0.24 0.00 5.08 -0.78 -1.99 114.58 118.56 3icm h GLU 60 Ca 0.14 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3icm h GLU 60 Cb 0.31 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3icm h GLU 60 CO -0.00 0.56 -0.12 0.78 -1.00 0.00 0.00 179.01 179.23 3icm h GLY 61 N 0.87 -0.34 1.37 -3.84 0.00 -0.69 -2.61 103.07 97.83 3icm h GLY 61 Ca 0.45 0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.91 3icm h GLY 61 CO -0.26 -0.12 0.41 0.74 0.00 0.00 0.00 176.54 177.31 3icm h PHE 62 N -0.33 0.77 -0.13 5.60 0.04 -1.28 -3.08 116.94 118.53 3icm h PHE 62 Ca -0.03 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 3icm h PHE 62 Cb 0.25 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3icm h PHE 62 CO -0.06 0.48 0.03 -0.07 -0.60 0.00 0.00 178.31 178.08 3icm h LEU 63 N 0.82 0.15 -1.14 1.54 3.38 -1.05 -2.65 115.31 116.37 3icm h LEU 63 Ca 0.23 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 3icm h LEU 63 Cb -0.07 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3icm h LEU 63 CO -0.05 0.17 -0.35 0.00 0.09 0.00 0.00 178.44 178.29 3icm h ALA 64 N 1.86 1.11 -0.13 1.53 0.00 -1.37 -3.27 119.26 118.99 3icm h ALA 64 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3icm h ALA 64 Cb 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3icm h ALA 64 CO -0.00 0.44 0.00 1.33 0.00 0.00 0.00 179.25 181.02 3icm n VAL 65 N -3.68 0.65 -4.81 0.00 0.24 -1.07 -5.01 118.33 104.65 3icm n VAL 65 Ca -0.01 -0.82 -0.27 0.00 -2.04 0.00 0.00 64.34 61.20 3icm n VAL 65 Cb 0.45 0.72 -0.16 0.00 -1.47 0.00 0.00 33.84 33.38 3icm n VAL 65 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3icm s THR 66 N -0.83 1.44 0.02 3.34 2.01 -1.02 -5.10 115.64 115.50 3icm s THR 66 Ca 0.11 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.13 3icm s THR 66 Cb 0.06 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 3icm s THR 66 CO 0.08 0.42 1.08 -1.58 -0.69 0.00 0.00 174.62 173.93 3icm s GLN 67 N 0.40 4.50 0.07 4.92 2.00 -1.26 -4.83 119.66 125.46 3icm s GLN 67 Ca -0.12 1.58 -0.10 0.00 -2.00 0.00 0.00 55.36 54.71 3icm s GLN 67 Cb -0.15 -3.41 0.01 0.00 0.80 0.00 0.00 33.01 30.25 3icm s GLN 67 CO 0.04 -0.15 0.23 -1.01 -0.50 0.00 0.00 175.29 173.90 3icm s HIS 68 N 1.07 0.05 0.82 1.67 3.76 -1.26 -5.11 115.29 116.29 3icm s HIS 68 Ca 0.55 -0.38 -0.11 0.00 -0.15 0.00 0.00 55.06 54.97 3icm s HIS 68 Cb -0.25 0.00 0.09 0.00 1.11 0.00 0.00 32.58 33.54 3icm s HIS 68 CO 0.28 -0.52 1.12 -0.51 -0.85 0.00 0.00 174.74 174.26 3icm s ASP 69 N -2.54 3.84 0.21 1.40 1.01 -1.26 -4.84 116.67 114.49 3icm s ASP 69 Ca 0.01 2.02 -0.09 0.00 0.71 0.00 0.00 52.55 55.20 3icm s ASP 69 Cb 0.02 -2.55 0.26 0.00 1.01 0.00 0.00 42.92 41.66 3icm s ASP 69 CO -0.08 -2.49 1.80 -0.08 0.21 0.00 0.00 175.17 174.53 3icm h GLU 70 N -1.34 0.65 -0.58 8.23 4.57 -2.01 -1.59 114.58 122.51 3icm h GLU 70 Ca -0.44 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 57.74 3icm h GLU 70 Cb 1.25 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 29.65 3icm h GLU 70 CO 0.47 0.43 0.34 0.00 -1.18 0.00 0.00 179.01 179.07 3icm h ALA 71 N 1.36 0.76 -0.49 2.92 0.00 -1.99 -1.45 119.26 120.37 3icm h ALA 71 Ca 0.31 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 3icm h ALA 71 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3icm h ALA 71 CO -0.20 0.04 0.07 1.15 0.00 0.00 0.00 179.25 180.31 3icm h THR 72 N 0.66 1.25 -0.28 0.00 2.02 -1.86 -1.81 112.91 112.89 3icm h THR 72 Ca 0.25 -0.95 0.04 0.00 0.77 0.00 0.00 66.41 66.52 3icm h THR 72 Cb 0.08 0.92 -0.07 0.00 -1.74 0.00 0.00 68.15 67.33 3icm h THR 72 CO -0.13 0.33 -0.53 0.11 0.37 0.00 0.00 175.52 175.68 3icm h LYS 73 N 0.69 -0.46 -0.91 6.66 1.57 -0.78 -0.61 116.57 122.73 3icm h LYS 73 Ca 0.15 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.07 3icm h LYS 73 Cb 0.41 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.76 3icm h LYS 73 CO 0.01 -0.30 0.59 0.93 -0.57 0.00 0.00 179.45 180.10 3icm h GLU 74 N -0.47 0.86 -0.19 3.15 5.08 -1.14 -1.42 114.58 120.44 3icm h GLU 74 Ca 0.06 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 3icm h GLU 74 Cb 0.63 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 3icm h GLU 74 CO -0.52 0.57 -0.12 -0.09 -1.00 0.00 0.00 179.01 177.84 3icm h ARG 75 N 0.88 0.43 -0.73 2.33 2.43 -1.14 -2.40 114.38 116.18 3icm h ARG 75 Ca 0.43 -0.20 0.04 0.00 -0.81 0.00 0.00 59.98 59.45 3icm h ARG 75 Cb 0.46 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 3icm h ARG 75 CO -0.20 0.74 0.45 0.82 -1.51 0.00 0.00 179.97 180.27 3icm h ILE 76 N 0.11 1.06 -0.48 1.20 2.04 -0.07 0.18 117.51 121.55 3icm h ILE 76 Ca 0.04 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 3icm h ILE 76 Cb 0.63 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3icm h ILE 76 CO 0.03 0.16 0.07 -0.07 0.00 0.00 0.00 178.15 178.34 3icm h LEU 77 N 0.85 0.76 -0.43 1.44 3.38 -1.40 -1.64 115.31 118.27 3icm h LEU 77 Ca 0.31 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3icm h LEU 77 Cb 0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3icm h LEU 77 CO -0.14 0.83 0.03 -0.74 0.09 0.00 0.00 178.44 178.51 3icm h HIS 78 N 0.66 0.80 -0.46 1.13 2.76 -1.11 -1.76 115.15 117.17 3icm h HIS 78 Ca 0.14 -0.13 -0.04 0.00 -2.20 0.00 0.00 60.37 58.15 3icm h HIS 78 Cb 0.40 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 3icm h HIS 78 CO 0.03 0.78 0.12 -0.44 -1.30 0.00 0.00 177.93 177.12 3icm h ASP 79 N 0.58 0.64 -0.27 3.26 5.19 -0.85 -1.07 116.42 123.90 3icm h ASP 79 Ca 0.13 -0.10 -0.11 0.00 -0.62 0.00 0.00 57.03 56.33 3icm h ASP 79 Cb 0.44 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 3icm h ASP 79 CO 0.02 0.63 -0.21 0.00 -3.12 0.00 0.00 179.24 176.55 3icm h ALA 80 N 1.46 0.92 0.15 3.45 0.00 -1.18 -0.01 119.26 124.05 3icm h ALA 80 Ca 0.15 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3icm h ALA 80 Cb 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3icm h ALA 80 CO -0.00 0.62 -0.07 0.00 0.00 0.00 0.00 179.25 179.79 3icm h VAL 82 N -0.43 0.78 -0.36 0.00 2.07 -1.18 -0.81 116.25 116.33 3icm h VAL 82 Ca -0.02 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.55 3icm h VAL 82 Cb 0.34 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 3icm h VAL 82 CO 0.03 0.01 -0.00 1.23 0.02 0.00 0.00 177.57 178.86 3icm h GLY 83 N 0.04 0.36 0.14 2.17 0.00 -0.98 0.19 103.07 104.99 3icm h GLY 83 Ca 0.12 0.04 0.08 0.00 0.00 0.00 0.00 47.33 47.57 3icm h GLY 83 CO -0.23 -0.08 -0.16 -1.33 0.00 0.00 0.00 176.54 174.73 3icm h GLY 84 N 0.10 0.13 1.61 4.60 0.00 -0.58 -2.39 103.07 106.54 3icm h GLY 84 Ca 0.18 0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.68 3icm h GLY 84 CO -0.30 -0.18 0.11 1.49 0.00 0.00 0.00 176.54 177.66 3icm h TRP 85 N -0.09 0.51 -1.00 5.60 4.06 -0.77 -0.86 115.95 123.40 3icm h TRP 85 Ca 0.18 -0.02 0.08 0.00 2.06 0.00 0.00 58.89 61.19 3icm h TRP 85 Cb 0.37 -0.16 -0.07 0.00 -1.00 0.00 0.00 29.16 28.30 3icm h TRP 85 CO -0.39 0.43 0.64 0.52 -3.56 0.00 0.00 178.44 176.09 3icm h MET 86 N 0.50 1.09 -0.04 0.49 2.86 -0.48 0.78 114.93 120.14 3icm h MET 86 Ca 0.12 -0.07 -0.25 0.00 -2.06 0.00 0.00 59.70 57.45 3icm h MET 86 Cb 0.16 -0.25 0.02 0.00 0.06 0.00 0.00 31.60 31.59 3icm h MET 86 CO -0.01 0.72 -0.96 0.82 1.06 0.00 0.00 176.91 178.54 3icm h ILE 87 N 1.12 1.30 -0.63 -1.22 2.04 -0.83 -1.79 117.51 117.50 3icm h ILE 87 Ca 0.45 -2.21 0.02 0.00 1.00 0.00 0.00 64.86 64.11 3icm h ILE 87 Cb 0.26 2.29 -0.04 0.00 -0.74 0.00 0.00 36.82 38.59 3icm h ILE 87 CO -0.20 0.68 0.41 -0.33 0.00 0.00 0.00 178.15 178.72 3icm h GLU 88 N 0.40 0.79 -0.63 2.37 4.39 -0.90 -0.90 114.58 120.10 3icm h GLU 88 Ca -0.10 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.49 3icm h GLU 88 Cb 1.61 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 30.05 3icm h GLU 88 CO 0.19 0.52 0.16 0.74 -1.16 0.00 0.00 179.01 179.46 3icm h PHE 89 N 0.82 1.02 -0.04 4.33 -1.00 -0.85 0.13 116.94 121.34 3icm h PHE 89 Ca 0.24 -0.11 0.00 0.00 2.81 0.00 0.00 57.97 60.92 3icm h PHE 89 Cb -0.04 -0.30 -0.00 0.00 3.61 0.00 0.00 35.95 39.22 3icm h PHE 89 CO -0.04 0.84 0.01 1.25 -1.61 0.00 0.00 178.31 178.76 3icm h LEU 90 N 0.94 0.01 -0.45 1.54 5.85 -1.05 -0.67 115.31 121.49 3icm h LEU 90 Ca 0.20 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.97 3icm h LEU 90 Cb 0.33 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 3icm h LEU 90 CO -0.00 0.02 0.20 -0.61 -0.34 0.00 0.00 178.44 177.71 3icm h GLN 91 N 0.03 0.40 -0.48 1.25 4.15 -1.01 -1.47 115.11 117.98 3icm h GLN 91 Ca 0.02 -0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.51 3icm h GLN 91 Cb 0.01 -0.09 -0.08 0.00 0.21 0.00 0.00 27.48 27.53 3icm h GLN 91 CO -0.02 0.26 -0.00 0.00 -1.93 0.00 0.00 178.83 177.14 3icm h ALA 92 N 1.26 0.45 -0.39 3.38 0.00 -0.52 -0.70 119.26 122.75 3icm h ALA 92 Ca 0.20 0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.34 3icm h ALA 92 Cb 0.14 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 3icm h ALA 92 CO -0.17 -0.39 -0.31 1.25 0.00 0.00 0.00 179.25 179.63 3icm h HIS 93 N 0.11 -0.85 -0.59 0.00 -0.00 -0.86 -2.13 115.15 110.82 3icm h HIS 93 Ca 0.24 0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.65 3icm h HIS 93 Cb 0.36 0.43 -0.03 0.00 -0.00 0.00 0.00 27.41 28.17 3icm h HIS 93 CO -0.31 -0.37 0.32 1.88 -0.00 0.00 0.00 177.93 179.44 3icm h TYR 94 N -0.25 0.82 -0.32 5.26 0.99 -0.44 -2.58 116.97 120.46 3icm h TYR 94 Ca 0.17 -0.03 -0.11 0.00 2.00 0.00 0.00 58.73 60.76 3icm h TYR 94 Cb 0.53 -0.26 -0.01 0.00 1.00 0.00 0.00 36.73 37.98 3icm h TYR 94 CO -0.52 0.60 -0.27 -0.07 -0.00 0.00 0.00 178.16 177.90 3icm h LEU 95 N 0.80 0.66 -0.25 3.88 4.07 -1.08 0.48 115.31 123.88 3icm h LEU 95 Ca 0.21 -0.25 -0.02 0.00 0.08 0.00 0.00 57.88 57.90 3icm h LEU 95 Cb 0.06 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 3icm h LEU 95 CO -0.03 0.91 0.07 0.58 -1.08 0.00 0.00 178.44 178.89 3icm h VAL 96 N 0.56 1.20 -0.21 1.22 2.07 -1.24 -0.82 116.25 119.04 3icm h VAL 96 Ca 0.07 -0.65 -0.20 0.00 0.82 0.00 0.00 66.70 66.75 3icm h VAL 96 Cb 0.76 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3icm h VAL 96 CO 0.06 0.21 -0.65 -0.33 0.02 0.00 0.00 177.57 176.88 3icm h GLU 97 N 0.23 0.77 -0.19 1.57 4.39 -1.24 -3.05 114.58 117.06 3icm h GLU 97 Ca 0.08 -0.55 0.01 0.00 0.34 0.00 0.00 59.36 59.24 3icm h GLU 97 Cb 0.25 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3icm h GLU 97 CO -0.00 1.17 0.10 0.22 -1.16 0.00 0.00 179.01 179.34 3icm h ASP 98 N 0.56 0.16 -0.64 1.42 3.58 0.02 -2.45 116.42 119.06 3icm h ASP 98 Ca -0.01 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.49 3icm h ASP 98 Cb 1.25 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 42.23 3icm h ASP 98 CO 0.13 0.12 0.37 0.44 -2.88 0.00 0.00 179.24 177.43 3icm h ASP 99 N 0.22 0.57 -0.31 2.28 3.32 -1.16 0.14 116.42 121.48 3icm h ASP 99 Ca 0.08 0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.21 3icm h ASP 99 Cb 0.01 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 39.39 3icm h ASP 99 CO -0.05 0.38 -0.16 0.40 -1.72 0.00 0.00 179.24 178.10 3icm h ILE 100 N 0.71 0.52 0.00 0.35 2.04 -1.45 -1.12 117.51 118.56 3icm h ILE 100 Ca 0.28 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.08 3icm h ILE 100 Cb 0.12 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3icm h ILE 100 CO -0.15 0.00 -0.29 0.24 0.00 0.00 0.00 178.15 177.95 3icm h MET 101 N -0.11 0.00 -0.33 2.37 2.86 -0.79 -2.80 114.93 116.13 3icm h MET 101 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3icm h MET 101 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 3icm h MET 101 CO -0.38 0.29 0.00 -0.25 1.06 0.00 0.00 176.91 177.63 3icm n ASP 102 N -3.46 2.53 -4.30 1.22 8.00 0.39 -4.94 116.55 115.98 3icm n ASP 102 Ca -0.00 -1.88 -0.35 0.00 0.71 0.00 0.00 54.79 53.27 3icm n ASP 102 Cb 0.46 -0.22 -0.07 0.00 -0.02 0.00 0.00 41.12 41.28 3icm n ASP 102 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3icm n GLY 103 N 1.30 -0.29 3.84 0.44 0.00 -1.06 -4.96 105.19 104.46 3icm n GLY 103 Ca 0.17 0.13 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 3icm n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3icm s SER 104 N -3.82 5.95 -0.11 1.61 0.01 -0.45 -5.03 113.70 111.87 3icm s SER 104 Ca 0.40 1.56 0.01 0.00 1.31 0.00 0.00 55.95 59.23 3icm s SER 104 Cb -0.23 -2.49 -0.07 0.00 0.21 0.00 0.00 66.02 63.44 3icm s SER 104 CO 0.97 -1.05 -0.10 0.52 0.41 0.00 0.00 173.24 173.99 3icm n VAL 105 N -2.59 0.63 -4.24 3.43 0.31 -1.26 -4.78 118.33 109.84 3icm n VAL 105 Ca 0.07 -0.24 -0.21 0.00 -0.01 0.00 0.00 64.34 63.95 3icm n VAL 105 Cb 0.54 -0.89 -0.12 0.00 -0.91 0.00 0.00 33.84 32.45 3icm n VAL 105 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 3icm s MET 106 N -2.22 0.99 -0.20 5.55 -2.45 -1.26 -1.84 119.30 117.87 3icm s MET 106 Ca -0.15 -1.08 -0.11 0.00 -1.25 0.00 0.00 55.69 53.10 3icm s MET 106 Cb 0.04 -1.13 0.06 0.00 1.25 0.00 0.00 34.83 35.05 3icm s MET 106 CO 0.25 0.26 0.48 0.50 1.05 0.00 0.00 175.02 177.56 3icm s ARG 107 N -1.88 0.48 -1.66 4.11 6.06 0.14 -3.96 118.95 122.24 3icm s ARG 107 Ca 0.03 0.88 -0.16 0.00 -2.50 0.00 0.00 55.73 53.98 3icm s ARG 107 Cb -0.10 0.04 0.13 0.00 0.06 0.00 0.00 34.95 35.08 3icm s ARG 107 CO 0.03 -0.15 0.75 0.54 -2.50 0.00 0.00 175.30 173.97 3icm n ARG 108 N 4.16 -3.30 -0.95 5.12 1.74 0.96 -1.66 116.66 122.73 3icm n ARG 108 Ca -0.22 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 3icm n ARG 108 Cb 0.56 -5.04 0.00 0.00 -1.02 0.00 0.00 32.46 26.97 3icm n ARG 108 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3icm n GLY 109 N -1.50 0.50 3.46 -0.13 0.00 0.19 -5.01 105.19 102.70 3icm n GLY 109 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 3icm n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3icm s LYS 110 N -0.42 1.65 0.63 1.61 -0.14 -0.66 -5.06 119.74 117.33 3icm s LYS 110 Ca 0.00 -1.91 -0.19 0.00 -1.36 0.00 0.00 55.97 52.52 3icm s LYS 110 Cb 0.00 -0.95 -0.02 0.00 -1.68 0.00 0.00 37.83 35.19 3icm s LYS 110 CO 0.00 -0.15 1.31 -2.14 -0.76 0.00 0.00 175.35 173.61 3icm s PRO 111 N -3.86 2.67 0.61 -1.68 0.02 -1.26 0.26 135.00 131.76 3icm s PRO 111 Ca 0.35 2.10 -0.18 0.00 0.02 0.00 0.00 61.00 63.30 3icm s PRO 111 Cb 0.08 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.62 3icm s PRO 111 CO 0.15 -1.52 0.85 0.00 -0.33 0.00 0.00 177.00 176.15 3icm h TRP 113 N 0.32 0.35 0.00 0.00 2.91 -1.92 0.09 115.95 117.70 3icm h TRP 113 Ca -0.48 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.56 3icm h TRP 113 Cb 1.37 -0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 29.96 3icm h TRP 113 CO 0.36 0.03 -0.06 0.10 -1.03 0.00 0.00 178.44 177.84 3icm h TYR 114 N 0.36 0.00 -0.00 2.65 -0.00 -1.88 -1.19 116.97 116.91 3icm h TYR 114 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.08 3icm h TYR 114 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.23 3icm h TYR 114 CO -0.20 0.06 -0.10 0.54 -0.00 0.00 0.00 178.16 178.46 3icm n ARG 115 N -3.55 0.07 -1.71 0.10 5.12 0.01 -2.23 116.66 114.47 3icm n ARG 115 Ca -0.02 -0.01 -0.43 0.00 -1.93 0.00 0.00 57.85 55.46 3icm n ARG 115 Cb 0.17 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.96 3icm n ARG 115 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 3icm n PHE 116 N -1.45 2.50 -0.29 -1.55 3.01 -0.45 -4.88 117.46 114.35 3icm n PHE 116 Ca 0.08 0.41 -0.01 0.00 1.01 0.00 0.00 57.45 58.93 3icm n PHE 116 Cb 0.33 -2.50 0.17 0.00 -0.01 0.00 0.00 39.48 37.47 3icm n PHE 116 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3icm h PRO 117 N 3.83 1.15 -0.38 -1.08 0.11 -1.89 -1.64 132.00 132.11 3icm h PRO 117 Ca -0.47 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3icm h PRO 117 Cb 1.26 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3icm h PRO 117 CO 0.72 0.78 0.00 0.41 -0.21 0.00 0.00 178.00 179.71 3icm n GLY 118 N -1.34 0.60 0.20 -0.55 0.00 -1.26 -4.45 105.19 98.40 3icm n GLY 118 Ca 0.10 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3icm n GLY 118 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3icm n VAL 119 N 0.29 0.00 -0.95 1.61 0.31 -0.62 -5.04 118.33 113.93 3icm n VAL 119 Ca 0.09 0.13 0.12 0.00 -0.01 0.00 0.00 64.34 64.67 3icm n VAL 119 Cb 0.30 -1.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.16 3icm n VAL 119 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3icm n THR 120 N -1.83 -0.56 -0.31 2.52 -2.24 -0.95 -3.47 114.28 107.44 3icm n THR 120 Ca 0.00 0.60 0.15 0.00 -2.27 0.00 0.00 64.05 62.53 3icm n THR 120 Cb 0.00 -0.92 0.40 0.00 -2.10 0.00 0.00 70.33 67.71 3icm n THR 120 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3icm h THR 121 N -0.93 0.70 -0.38 4.28 2.02 -1.95 0.12 112.91 116.76 3icm h THR 121 Ca -0.12 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 66.87 3icm h THR 121 Cb 0.91 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 3icm h THR 121 CO 0.05 0.11 0.19 -0.61 0.37 0.00 0.00 175.52 175.63 3icm h GLN 122 N 0.63 0.37 0.11 6.66 4.15 -1.95 -1.13 115.11 123.95 3icm h GLN 122 Ca 0.53 -0.02 -0.31 0.00 0.77 0.00 0.00 58.65 59.62 3icm h GLN 122 Cb 1.01 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.60 3icm h GLN 122 CO -0.29 0.25 -1.56 0.00 -1.93 0.00 0.00 178.83 175.29 3icm h ALA 124 N 0.50 1.27 -0.09 0.00 0.00 -0.81 -0.80 119.26 119.33 3icm h ALA 124 Ca -0.25 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.63 3icm h ALA 124 Cb 2.01 -0.39 -0.05 0.00 0.00 0.00 0.00 17.79 19.36 3icm h ALA 124 CO 0.15 0.63 -0.21 0.82 0.00 0.00 0.00 179.25 180.64 3icm h ILE 125 N 1.33 0.49 -0.22 0.00 2.04 -1.38 -1.15 117.51 118.62 3icm h ILE 125 Ca 0.37 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 66.10 3icm h ILE 125 Cb -0.13 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3icm h ILE 125 CO -0.09 0.00 -0.42 -1.13 0.00 0.00 0.00 178.15 176.51 3icm h ASN 126 N -0.29 0.55 -0.90 1.72 -1.24 -1.71 -2.45 115.58 111.26 3icm h ASN 126 Ca 0.09 -0.25 0.13 0.00 0.71 0.00 0.00 56.30 56.98 3icm h ASN 126 Cb 0.41 -0.16 -0.09 0.00 0.73 0.00 0.00 38.32 39.22 3icm h ASN 126 CO -0.26 0.91 0.52 0.44 -1.29 0.00 0.00 177.43 177.75 3icm h ASP 127 N 0.43 0.71 0.08 1.15 3.32 -0.97 -0.45 116.42 120.69 3icm h ASP 127 Ca 0.03 0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 3icm h ASP 127 Cb 0.91 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 3icm h ASP 127 CO 0.08 0.35 -0.40 1.23 -1.72 0.00 0.00 179.24 178.78 3icm h GLY 128 N 0.79 0.45 1.01 2.75 0.00 -0.78 -2.18 103.07 105.10 3icm h GLY 128 Ca 0.47 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 47.37 3icm h GLY 128 CO -0.31 0.40 0.48 -2.22 0.00 0.00 0.00 176.54 174.89 3icm h ILE 129 N 0.34 1.19 -0.71 2.60 2.04 -0.85 -2.98 117.51 119.15 3icm h ILE 129 Ca 0.03 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.57 3icm h ILE 129 Cb 0.86 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 3icm h ILE 129 CO 0.07 0.18 0.44 0.40 0.00 0.00 0.00 178.15 179.25 3icm h ILE 130 N 0.99 1.10 -0.77 -0.67 2.04 -0.80 -1.81 117.51 117.60 3icm h ILE 130 Ca 0.27 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.89 3icm h ILE 130 Cb -0.11 0.15 -0.06 0.00 -0.74 0.00 0.00 36.82 36.07 3icm h ILE 130 CO -0.06 0.16 0.45 -0.07 0.00 0.00 0.00 178.15 178.63 3icm h LEU 131 N 0.87 0.69 -0.22 1.44 3.38 -1.26 0.10 115.31 120.31 3icm h LEU 131 Ca 0.28 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.20 3icm h LEU 131 Cb 0.01 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3icm h LEU 131 CO -0.11 0.44 -0.16 0.50 0.09 0.00 0.00 178.44 179.20 3icm h LYS 132 N 0.82 0.49 -0.65 1.13 3.64 -1.37 -2.97 116.57 117.66 3icm h LYS 132 Ca 0.34 -0.24 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 3icm h LYS 132 Cb 0.20 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 3icm h LYS 132 CO -0.18 0.80 0.43 0.77 -2.27 0.00 0.00 179.45 179.00 3icm h SER 133 N 0.19 0.56 -0.45 4.20 0.02 -0.73 -1.74 113.55 115.61 3icm h SER 133 Ca 0.04 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3icm h SER 133 Cb 0.69 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 3icm h SER 133 CO 0.04 0.36 0.26 -0.50 -1.14 0.00 0.00 176.83 175.85 3icm h TRP 134 N 0.64 0.62 -0.73 3.45 6.55 -0.84 -1.81 115.95 123.83 3icm h TRP 134 Ca 0.28 -0.00 0.09 0.00 0.95 0.00 0.00 58.89 60.21 3icm h TRP 134 Cb 0.29 -0.20 -0.07 0.00 -0.86 0.00 0.00 29.16 28.32 3icm h TRP 134 CO -0.00 0.44 0.38 1.79 -1.05 0.00 0.00 178.44 180.00 3icm h THR 135 N 0.65 0.86 -0.01 1.49 1.35 -1.23 -0.95 112.91 115.08 3icm h THR 135 Ca 0.17 -0.22 -0.25 0.00 -0.55 0.00 0.00 66.41 65.56 3icm h THR 135 Cb 0.02 0.16 0.01 0.00 -1.73 0.00 0.00 68.15 66.61 3icm h THR 135 CO -0.03 0.12 -0.99 1.56 -0.25 0.00 0.00 175.52 175.93 3icm h GLN 136 N 0.64 0.58 -0.52 4.72 1.08 -1.47 -2.29 115.11 117.85 3icm h GLN 136 Ca 0.36 -0.61 -0.00 0.00 -1.45 0.00 0.00 58.65 56.94 3icm h GLN 136 Cb 0.36 0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 3icm h GLN 136 CO -0.26 1.23 0.31 0.82 -0.95 0.00 0.00 178.83 179.97 3icm h ILE 137 N 0.33 1.16 -0.23 2.54 1.08 -1.10 -1.67 117.51 119.62 3icm h ILE 137 Ca -0.10 -0.38 0.02 0.00 -0.39 0.00 0.00 64.86 64.00 3icm h ILE 137 Cb 1.63 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 35.83 3icm h ILE 137 CO 0.18 0.17 0.08 0.24 -0.69 0.00 0.00 178.15 178.14 3icm h MET 138 N 0.70 0.19 0.09 2.37 2.86 -1.11 -0.91 114.93 119.13 3icm h MET 138 Ca 0.19 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3icm h MET 138 Cb 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3icm h MET 138 CO -0.03 0.13 -0.05 0.00 1.06 0.00 0.00 176.91 178.02 3icm h ALA 139 N 1.14 -0.13 -0.21 6.32 0.00 -1.11 0.11 119.26 125.38 3icm h ALA 139 Ca 0.10 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3icm h ALA 139 Cb 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3icm h ALA 139 CO -0.10 -0.54 -0.37 -1.49 0.00 0.00 0.00 179.25 176.75 3icm h TRP 140 N -0.18 0.55 0.30 0.00 4.06 -1.31 0.24 115.95 119.61 3icm h TRP 140 Ca -0.01 -0.15 -0.01 0.00 2.06 0.00 0.00 58.89 60.77 3icm h TRP 140 Cb 0.15 -0.12 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 3icm h TRP 140 CO -0.05 0.78 -0.14 1.25 -3.56 0.00 0.00 178.44 176.71 3icm h HIS 141 N 0.40 -0.37 0.00 0.49 2.76 -0.92 -3.10 115.15 114.40 3icm h HIS 141 Ca 0.04 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 3icm h HIS 141 Cb 0.83 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 3icm h HIS 141 CO 0.03 -0.02 -0.75 1.88 -1.30 0.00 0.00 177.93 177.76 3icm h TYR 142 N -0.86 0.00 -0.24 5.26 -1.99 -0.96 -3.34 116.97 114.84 3icm h TYR 142 Ca -0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.69 3icm h TYR 142 Cb 0.52 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.25 3icm h TYR 142 CO 0.04 0.12 0.00 1.19 -0.00 0.00 0.00 178.16 179.51 3icm n PHE 143 N -2.87 0.32 -0.30 4.88 0.99 0.07 -4.82 117.46 115.73 3icm n PHE 143 Ca -0.00 -0.48 0.13 0.00 -0.00 0.00 0.00 57.45 57.09 3icm n PHE 143 Cb 0.60 -0.03 0.28 0.00 -1.00 0.00 0.00 39.48 39.33 3icm n PHE 143 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3icm h ALA 144 N 1.45 1.22 -0.46 4.37 0.00 -1.63 -0.84 119.26 123.38 3icm h ALA 144 Ca 0.00 0.24 -0.28 0.00 0.00 0.00 0.00 54.91 54.87 3icm h ALA 144 Cb 0.66 0.37 -0.18 0.00 0.00 0.00 0.00 17.79 18.64 3icm h ALA 144 CO 0.00 -0.49 -0.17 -0.40 0.00 0.00 0.00 179.25 178.19 3icm n ASP 145 N -5.28 3.29 -4.81 0.00 3.85 -1.26 -4.97 116.55 107.37 3icm n ASP 145 Ca 0.21 -3.80 -0.38 0.00 -0.71 0.00 0.00 54.79 50.11 3icm n ASP 145 Cb 0.68 -0.61 -0.06 0.00 -1.35 0.00 0.00 41.12 39.79 3icm n ASP 145 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3icm s ARG 146 N -3.37 4.23 0.54 0.11 1.81 -0.32 -4.99 118.95 116.95 3icm s ARG 146 Ca 0.47 0.77 0.22 0.00 -1.72 0.00 0.00 55.73 55.48 3icm s ARG 146 Cb 0.42 -3.20 1.41 0.00 -0.45 0.00 0.00 34.95 33.12 3icm s ARG 146 CO -0.00 0.61 2.09 -1.00 -0.68 0.00 0.00 175.30 176.32 3icm h PRO 147 N 4.39 0.00 -0.01 3.54 0.13 -1.93 -2.76 132.00 135.37 3icm h PRO 147 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3icm h PRO 147 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3icm h PRO 147 CO 0.64 0.00 -0.03 1.97 -0.23 0.00 0.00 178.00 180.35 3icm n PHE 148 N -4.32 0.00 -0.13 1.56 1.16 -1.26 -4.49 117.46 109.97 3icm n PHE 148 Ca 0.03 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.51 3icm n PHE 148 Cb 0.33 -0.05 -0.05 0.00 -1.61 0.00 0.00 39.48 38.10 3icm n PHE 148 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 3icm h LEU 149 N 0.90 -1.45 -0.11 5.98 5.85 -1.75 -0.46 115.31 124.28 3icm h LEU 149 Ca 0.00 0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.95 3icm h LEU 149 Cb 0.26 0.63 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 3icm h LEU 149 CO 0.00 -0.37 0.05 0.11 -0.34 0.00 0.00 178.44 177.89 3icm h LYS 150 N -0.32 0.11 -0.81 1.25 1.57 -1.85 -1.24 116.57 115.28 3icm h LYS 150 Ca 0.14 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.98 3icm h LYS 150 Cb 0.58 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.81 3icm h LYS 150 CO -0.58 0.07 0.48 -0.44 -0.57 0.00 0.00 179.45 178.41 3icm h ASP 151 N 0.11 0.74 0.02 0.86 3.32 -1.76 -1.66 116.42 118.05 3icm h ASP 151 Ca 0.04 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3icm h ASP 151 Cb 0.01 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3icm h ASP 151 CO -0.03 0.46 -0.01 0.25 -1.72 0.00 0.00 179.24 178.20 3icm h LEU 152 N 0.87 -0.02 -0.56 1.55 6.46 -0.72 -1.45 115.31 121.44 3icm h LEU 152 Ca 0.36 -0.33 0.05 0.00 -0.12 0.00 0.00 57.88 57.84 3icm h LEU 152 Cb 0.21 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.10 3icm h LEU 152 CO -0.19 0.32 0.29 -0.07 -0.62 0.00 0.00 178.44 178.17 3icm h LEU 153 N -0.37 0.42 -0.22 2.25 3.38 -1.16 0.89 115.31 120.51 3icm h LEU 153 Ca -0.00 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3icm h LEU 153 Cb 0.35 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3icm h LEU 153 CO 0.00 0.29 0.02 0.00 0.09 0.00 0.00 178.44 178.84 3icm h LEU 155 N 0.15 -0.04 -0.31 0.00 5.85 -1.04 -2.01 115.31 117.91 3icm h LEU 155 Ca 0.06 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.86 3icm h LEU 155 Cb 0.35 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 3icm h LEU 155 CO 0.01 -0.01 -0.06 0.15 -0.34 0.00 0.00 178.44 178.19 3icm h PHE 156 N 0.01 -0.13 -0.63 1.25 3.04 -0.69 -0.16 116.94 119.63 3icm h PHE 156 Ca 0.03 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.00 3icm h PHE 156 Cb 0.04 0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.62 3icm h PHE 156 CO -0.11 -0.12 0.39 0.37 -2.02 0.00 0.00 178.31 176.82 3icm h GLN 157 N 0.02 0.85 -0.34 1.11 -0.00 -1.34 -0.21 115.11 115.20 3icm h GLN 157 Ca 0.15 -0.07 -0.07 0.00 -0.00 0.00 0.00 58.65 58.66 3icm h GLN 157 Cb 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 27.48 27.50 3icm h GLN 157 CO -0.30 0.60 -0.07 0.87 0.00 0.00 0.00 178.83 179.92 3icm h LYS 158 N 0.86 0.57 -0.24 1.69 1.57 -0.77 -1.33 116.57 118.92 3icm h LYS 158 Ca 0.23 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 3icm h LYS 158 Cb -0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3icm h LYS 158 CO -0.04 0.65 -0.10 0.28 -0.57 0.00 0.00 179.45 179.66 3icm h VAL 159 N 0.53 1.30 -0.57 0.50 2.07 -0.93 -2.07 116.25 117.08 3icm h VAL 159 Ca 0.10 -1.17 0.06 0.00 0.82 0.00 0.00 66.70 66.52 3icm h VAL 159 Cb 0.45 1.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 3icm h VAL 159 CO 0.02 0.36 0.27 -0.78 0.02 0.00 0.00 177.57 177.46 3icm h ASP 160 N 0.21 0.35 0.12 0.57 3.58 -0.95 -1.69 116.42 118.60 3icm h ASP 160 Ca 0.05 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 3icm h ASP 160 Cb 0.60 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.64 3icm h ASP 160 CO 0.03 0.23 -0.06 0.22 -2.88 0.00 0.00 179.24 176.78 3icm h TYR 161 N 0.50 -0.15 -0.95 0.28 3.20 -1.13 -1.27 116.97 117.46 3icm h TYR 161 Ca 0.27 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.26 3icm h TYR 161 Cb 0.23 0.05 -0.09 0.00 1.54 0.00 0.00 36.73 38.46 3icm h TYR 161 CO -0.12 0.02 0.57 0.00 -1.64 0.00 0.00 178.16 176.99 3icm h ALA 162 N 0.57 1.44 -0.29 1.82 0.00 -1.36 -0.33 119.26 121.11 3icm h ALA 162 Ca -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3icm h ALA 162 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3icm h ALA 162 CO 0.03 0.11 0.14 1.15 0.00 0.00 0.00 179.25 180.68 3icm h THR 163 N 0.87 1.15 -0.59 0.00 2.02 -0.91 0.84 112.91 116.30 3icm h THR 163 Ca 0.49 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 3icm h THR 163 Cb 0.55 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 3icm h THR 163 CO -0.29 0.16 0.31 0.00 0.37 0.00 0.00 175.52 176.07 3icm h ALA 164 N 0.99 0.75 -0.64 6.16 0.00 -0.63 -0.42 119.26 125.48 3icm h ALA 164 Ca 0.10 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3icm h ALA 164 Cb 0.12 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3icm h ALA 164 CO -0.01 0.28 0.39 0.28 0.00 0.00 0.00 179.25 180.19 3icm h VAL 165 N 0.79 1.09 -0.55 0.00 2.07 -0.86 -2.26 116.25 116.52 3icm h VAL 165 Ca 0.21 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.53 3icm h VAL 165 Cb 0.06 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.01 3icm h VAL 165 CO -0.03 0.14 0.23 1.23 0.02 0.00 0.00 177.57 179.16 3icm h GLY 166 N 0.78 0.77 1.62 2.17 0.00 -0.58 -1.85 103.07 105.97 3icm h GLY 166 Ca 0.25 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.40 3icm h GLY 166 CO -0.10 0.04 -0.00 -1.61 0.00 0.00 0.00 176.54 174.86 3icm h GLN 167 N 0.44 0.48 -0.76 4.80 5.75 -0.79 -0.90 115.11 124.13 3icm h GLN 167 Ca 0.26 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.63 3icm h GLN 167 Cb 0.26 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.71 3icm h GLN 167 CO -0.24 0.51 0.34 1.98 -2.65 0.00 0.00 178.83 178.78 3icm h MET 168 N 0.46 1.11 -0.72 1.69 4.05 -0.93 -0.91 114.93 119.69 3icm h MET 168 Ca 0.10 -0.18 -0.00 0.00 -0.28 0.00 0.00 59.70 59.34 3icm h MET 168 Cb 0.31 -0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 30.88 3icm h MET 168 CO 0.01 0.88 0.44 1.88 0.23 0.00 0.00 176.91 180.35 3icm h TYR 169 N 1.08 0.93 -0.15 1.39 0.99 -0.53 -2.55 116.97 118.12 3icm h TYR 169 Ca 0.26 0.01 -0.13 0.00 2.00 0.00 0.00 58.73 60.87 3icm h TYR 169 Cb 0.15 -0.31 0.00 0.00 1.00 0.00 0.00 36.73 37.58 3icm h TYR 169 CO 0.01 0.61 -0.41 0.22 -0.00 0.00 0.00 178.16 178.60 3icm h ASP 170 N 0.99 0.63 1.46 3.88 3.58 -0.95 -2.72 116.42 123.29 3icm h ASP 170 Ca 0.26 -0.58 0.00 0.00 0.42 0.00 0.00 57.03 57.13 3icm h ASP 170 Cb -0.06 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.81 3icm h ASP 170 CO -0.05 1.10 -0.05 1.62 -2.88 0.00 0.00 179.24 178.97 3icm h VAL 171 N 0.19 0.00 -0.36 2.25 3.04 -1.03 -2.67 116.25 117.67 3icm h VAL 171 Ca -0.01 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 3icm h VAL 171 Cb 1.02 1.48 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 3icm h VAL 171 CO 0.09 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.00 3icm n THR 172 N -2.31 1.65 0.83 3.17 -2.24 -0.97 -4.70 114.28 109.71 3icm n THR 172 Ca 0.05 -1.38 0.10 0.00 -2.27 0.00 0.00 64.05 60.55 3icm n THR 172 Cb 0.44 0.14 0.48 0.00 -2.10 0.00 0.00 70.33 69.29 3icm n THR 172 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3icm n SER 173 N 0.20 0.00 -0.60 3.42 3.41 -1.01 -3.11 113.62 115.93 3icm n SER 173 Ca 0.18 0.28 0.06 0.00 -0.26 0.00 0.00 58.87 59.12 3icm n SER 173 Cb 0.69 -0.41 0.11 0.00 -0.26 0.00 0.00 64.21 64.34 3icm n SER 173 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 3icm n MET 174 N -1.41 1.85 -4.23 4.33 0.00 -1.26 -4.47 117.12 111.92 3icm n MET 174 Ca 0.07 -1.69 -0.23 0.00 0.00 0.00 0.00 57.70 55.85 3icm n MET 174 Cb 0.21 -1.27 -0.06 0.00 0.00 0.00 0.00 33.22 32.10 3icm n MET 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3icm s ASP 176 N -3.63 7.35 0.19 0.00 1.01 -1.26 -4.81 116.67 115.51 3icm s ASP 176 Ca 0.31 1.73 -0.18 0.00 0.71 0.00 0.00 52.55 55.12 3icm s ASP 176 Cb -0.07 -2.57 0.16 0.00 1.01 0.00 0.00 42.92 41.44 3icm s ASP 176 CO 0.21 -0.26 1.61 0.28 0.21 0.00 0.00 175.17 177.22 3icm h SER 177 N 6.63 -0.82 0.00 0.27 0.02 -1.99 0.51 113.55 118.17 3icm h SER 177 Ca -0.41 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3icm h SER 177 Cb 1.22 0.45 0.00 0.00 0.14 0.00 0.00 62.40 64.21 3icm h SER 177 CO 0.75 -0.26 0.05 -0.55 -1.14 0.00 0.00 176.83 175.69 3icm h ASN 178 N -0.11 0.00 0.20 3.07 -1.07 -2.03 -2.21 115.58 113.43 3icm h ASN 178 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.62 3icm h ASN 178 Cb 0.49 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.74 3icm h ASN 178 CO -0.61 0.00 -0.78 0.29 0.07 0.00 0.00 177.43 176.40 3icm n LYS 179 N -2.46 0.03 -1.67 4.14 5.02 0.16 -4.95 118.16 118.44 3icm n LYS 179 Ca -0.02 -0.03 -0.48 0.00 -2.02 0.00 0.00 58.31 55.77 3icm n LYS 179 Cb 0.09 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.56 3icm n LYS 179 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3icm n LEU 180 N -1.46 3.21 -3.15 -0.35 4.77 -0.84 -4.93 117.00 114.26 3icm n LEU 180 Ca 0.05 1.03 0.05 0.00 -0.03 0.00 0.00 56.01 57.11 3icm n LEU 180 Cb 0.33 -1.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.03 3icm n LEU 180 CO 0.39 -0.20 0.41 -0.62 -1.33 0.00 0.00 177.39 176.04 3icm s ASP 181 N 2.48 -0.84 0.41 -1.43 -1.08 -1.26 -5.04 116.67 109.91 3icm s ASP 181 Ca 0.86 0.39 0.25 0.00 -0.52 0.00 0.00 52.55 53.52 3icm s ASP 181 Cb -0.70 1.65 1.30 0.00 -1.46 0.00 0.00 42.92 43.70 3icm s ASP 181 CO 0.45 -0.16 1.66 -0.65 0.52 0.00 0.00 175.17 177.00 3icm h PRO 182 N 7.87 0.18 0.00 4.34 0.11 -2.02 -1.71 132.00 140.77 3icm h PRO 182 Ca -0.14 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.91 3icm h PRO 182 Cb 1.17 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3icm h PRO 182 CO 0.03 0.12 -0.25 0.93 -0.21 0.00 0.00 178.00 178.62 3icm h GLU 183 N 0.19 0.00 -5.14 1.05 4.39 -1.98 -3.45 114.58 109.64 3icm h GLU 183 Ca 0.76 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 59.79 3icm h GLU 183 Cb 2.17 0.00 -0.31 0.00 -0.10 0.00 0.00 28.75 30.51 3icm h GLU 183 CO -0.43 0.25 -0.81 0.08 -1.16 0.00 0.00 179.01 176.93 3icm s VAL 184 N -3.55 2.57 0.21 3.13 1.01 -0.65 -5.09 120.40 118.03 3icm s VAL 184 Ca 0.01 -0.79 -0.32 0.00 0.00 0.00 0.00 61.98 60.88 3icm s VAL 184 Cb 0.10 -2.09 -0.14 0.00 0.00 0.00 0.00 36.38 34.25 3icm s VAL 184 CO 0.65 0.51 1.36 0.00 0.00 0.00 0.00 175.10 177.62 3icm n ALA 185 N 4.29 0.63 -2.64 5.51 0.00 -1.26 -4.67 120.51 122.37 3icm n ALA 185 Ca -0.19 0.43 -0.40 0.00 0.00 0.00 0.00 53.44 53.27 3icm n ALA 185 Cb 0.51 -2.22 -0.06 0.00 0.00 0.00 0.00 19.45 17.68 3icm n ALA 185 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3icm s GLN 186 N -0.26 4.14 0.25 0.00 -1.52 -1.26 -5.05 119.66 115.97 3icm s GLN 186 Ca 0.71 0.53 -0.25 0.00 -1.95 0.00 0.00 55.36 54.40 3icm s GLN 186 Cb -0.71 -3.62 -0.09 0.00 -0.22 0.00 0.00 33.01 28.37 3icm s GLN 186 CO 0.49 -0.33 0.86 -1.25 -0.25 0.00 0.00 175.29 174.81 3icm s PRO 187 N 2.22 4.56 0.56 2.91 0.04 -1.26 -5.05 135.00 138.98 3icm s PRO 187 Ca 0.26 1.22 -0.21 0.00 0.04 0.00 0.00 61.00 62.31 3icm s PRO 187 Cb -0.16 -3.00 -0.05 0.00 0.04 0.00 0.00 34.50 31.34 3icm s PRO 187 CO 0.09 0.41 1.28 -0.12 0.04 0.00 0.00 177.00 178.70 3icm n MET 188 N 0.98 1.50 -1.79 4.56 0.00 -1.26 -4.48 117.12 116.62 3icm n MET 188 Ca -0.01 0.56 -0.39 0.00 -0.00 0.00 0.00 57.70 57.85 3icm n MET 188 Cb 0.49 -2.49 0.03 0.00 0.00 0.00 0.00 33.22 31.25 3icm n MET 188 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 3icm s THR 189 N -1.33 2.07 -0.08 1.12 -1.32 0.74 -4.89 115.64 111.95 3icm s THR 189 Ca 0.73 0.06 0.14 0.00 -1.21 0.00 0.00 61.69 61.41 3icm s THR 189 Cb -0.42 -3.03 -0.20 0.00 -1.51 0.00 0.00 72.50 67.34 3icm s THR 189 CO 0.48 0.01 0.18 0.35 -2.21 0.00 0.00 174.62 173.43 3icm n THR 190 N -0.51 0.49 0.54 5.08 -2.24 -1.26 -4.64 114.28 111.73 3icm n THR 190 Ca 0.07 -0.47 0.11 0.00 -2.27 0.00 0.00 64.05 61.50 3icm n THR 190 Cb 0.43 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.41 3icm n THR 190 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3icm n ASP 191 N -2.27 0.59 -1.51 3.42 3.85 -1.26 -4.96 116.55 114.41 3icm n ASP 191 Ca -0.13 -0.24 -0.15 0.00 -0.71 0.00 0.00 54.79 53.57 3icm n ASP 191 Cb 0.68 0.91 -0.06 0.00 -1.35 0.00 0.00 41.12 41.30 3icm n ASP 191 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 3icm n PHE 192 N -1.98 -0.40 0.08 2.11 3.72 -1.26 -4.82 117.46 114.91 3icm n PHE 192 Ca 0.01 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.56 3icm n PHE 192 Cb 0.44 -2.76 0.64 0.00 -0.94 0.00 0.00 39.48 36.86 3icm n PHE 192 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3icm h ALA 193 N 0.65 2.24 -0.39 4.37 0.00 -1.98 -0.99 119.26 123.16 3icm h ALA 193 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3icm h ALA 193 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3icm h ALA 193 CO 0.43 -0.33 0.00 0.39 0.00 0.00 0.00 179.25 179.74 3icm n GLU 194 N -4.45 1.90 -2.77 0.00 1.02 -1.26 -4.46 120.64 110.63 3icm n GLU 194 Ca 0.05 -1.40 -0.44 0.00 -0.02 0.00 0.00 57.16 55.36 3icm n GLU 194 Cb 0.38 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 3icm n GLU 194 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3icm n PHE 195 N 0.64 4.56 -4.30 -0.32 3.01 -0.38 -4.67 117.46 116.01 3icm n PHE 195 Ca 0.13 -3.19 -0.18 0.00 1.01 0.00 0.00 57.45 55.22 3icm n PHE 195 Cb 0.33 -2.21 -0.10 0.00 -0.01 0.00 0.00 39.48 37.48 3icm n PHE 195 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3icm s THR 196 N 1.73 1.52 0.34 4.37 -4.23 -1.26 -4.78 115.64 113.33 3icm s THR 196 Ca 0.44 -2.01 0.06 0.00 -1.18 0.00 0.00 61.69 59.00 3icm s THR 196 Cb 0.01 -1.84 0.30 0.00 1.34 0.00 0.00 72.50 72.31 3icm s THR 196 CO 0.01 -0.54 1.89 -0.65 -0.54 0.00 0.00 174.62 174.79 3icm h PRO 197 N 2.96 0.79 -0.32 3.99 0.11 -1.92 0.71 132.00 138.31 3icm h PRO 197 Ca -0.39 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 65.51 3icm h PRO 197 Cb 1.21 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3icm h PRO 197 CO 0.58 0.52 -0.46 0.00 -0.21 0.00 0.00 178.00 178.43 3icm h ALA 198 N 1.57 0.58 -0.01 -0.75 0.00 -1.96 0.99 119.26 119.68 3icm h ALA 198 Ca 0.41 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3icm h ALA 198 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3icm h ALA 198 CO -0.18 0.68 -0.03 0.82 0.00 0.00 0.00 179.25 180.54 3icm h ILE 199 N 0.67 1.48 -0.47 0.00 2.04 -1.74 -2.15 117.51 117.33 3icm h ILE 199 Ca 0.04 -1.45 0.10 0.00 1.00 0.00 0.00 64.86 64.54 3icm h ILE 199 Cb 1.05 2.42 -0.10 0.00 -0.74 0.00 0.00 36.82 39.45 3icm h ILE 199 CO 0.10 0.38 -0.20 0.22 0.00 0.00 0.00 178.15 178.65 3icm h TYR 200 N -0.54 -0.51 -0.68 1.37 3.20 -0.89 -1.49 116.97 117.43 3icm h TYR 200 Ca -0.00 0.05 0.11 0.00 3.14 0.00 0.00 58.73 62.03 3icm h TYR 200 Cb 0.64 0.30 -0.08 0.00 1.54 0.00 0.00 36.73 39.13 3icm h TYR 200 CO 0.14 -0.29 0.29 0.87 -1.64 0.00 0.00 178.16 177.52 3icm h LYS 201 N -0.10 0.46 0.02 1.82 1.57 -0.66 -2.15 116.57 117.53 3icm h LYS 201 Ca 0.22 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3icm h LYS 201 Cb 0.45 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3icm h LYS 201 CO -0.54 0.31 -0.01 -0.09 -0.57 0.00 0.00 179.45 178.55 3icm h ARG 202 N 0.48 -0.03 -0.51 3.15 2.43 -1.09 -0.07 114.38 118.73 3icm h ARG 202 Ca 0.35 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.58 3icm h ARG 202 Cb 0.44 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.91 3icm h ARG 202 CO -0.32 -0.02 -0.55 0.82 -1.51 0.00 0.00 179.97 178.39 3icm h ILE 203 N -0.03 0.01 -0.29 1.20 2.04 -0.71 -2.73 117.51 117.01 3icm h ILE 203 Ca -0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 3icm h ILE 203 Cb 0.03 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.10 3icm h ILE 203 CO 0.00 0.00 -0.01 0.58 0.00 0.00 0.00 178.15 178.72 3icm h VAL 204 N -0.32 1.26 -0.64 1.67 2.07 -1.37 -0.36 116.25 118.56 3icm h VAL 204 Ca 0.10 -0.97 0.13 0.00 0.82 0.00 0.00 66.70 66.78 3icm h VAL 204 Cb 0.57 1.32 -0.12 0.00 -1.52 0.00 0.00 31.29 31.54 3icm h VAL 204 CO -0.66 0.31 -0.13 0.50 0.02 0.00 0.00 177.57 177.61 3icm h LYS 205 N 0.30 0.02 0.04 1.57 3.64 -0.93 -1.98 116.57 119.23 3icm h LYS 205 Ca 0.08 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 3icm h LYS 205 Cb 0.45 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3icm h LYS 205 CO 0.02 0.01 -0.27 1.88 -2.27 0.00 0.00 179.45 178.82 3icm h TYR 206 N 0.02 0.20 0.00 1.91 -1.99 -1.26 -3.15 116.97 112.69 3icm h TYR 206 Ca 0.32 -0.14 -0.08 0.00 2.00 0.00 0.00 58.73 60.83 3icm h TYR 206 Cb 0.49 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.20 3icm h TYR 206 CO -0.50 1.07 -0.38 1.57 -0.00 0.00 0.00 178.16 179.93 3icm h LYS 207 N -0.73 0.00 0.00 4.88 2.10 -1.05 -3.26 116.57 118.51 3icm h LYS 207 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 3icm h LYS 207 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 3icm h LYS 207 CO 0.05 0.38 -0.89 -2.37 -2.00 0.00 0.00 179.45 174.62 3icm n THR 208 N -3.53 0.00 -0.05 0.07 5.66 -0.75 -4.88 114.28 110.80 3icm n THR 208 Ca -0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 3icm n THR 208 Cb 0.51 -0.46 0.05 0.00 -1.55 0.00 0.00 70.33 68.88 3icm n THR 208 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 3icm h THR 209 N 0.00 1.29 -0.53 1.09 1.35 -1.49 -1.46 112.91 113.17 3icm h THR 209 Ca 0.00 -1.60 -0.01 0.00 -0.55 0.00 0.00 66.41 64.25 3icm h THR 209 Cb 0.89 1.52 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 3icm h THR 209 CO 0.00 0.52 0.30 -0.26 -0.25 0.00 0.00 175.52 175.82 3icm h PHE 210 N 0.58 0.71 0.00 4.73 -1.00 -1.80 -1.48 116.94 118.69 3icm h PHE 210 Ca 0.04 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.74 3icm h PHE 210 Cb 0.96 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 40.28 3icm h PHE 210 CO 0.05 0.52 -1.50 2.48 -1.61 0.00 0.00 178.31 178.24 3icm n TYR 211 N -4.65 0.62 0.02 -0.55 0.18 -1.17 -0.48 117.16 111.12 3icm n TYR 211 Ca 0.03 0.19 -0.14 0.00 1.88 0.00 0.00 57.90 59.85 3icm n TYR 211 Cb 0.07 -0.86 -0.14 0.00 -0.38 0.00 0.00 39.34 38.04 3icm n TYR 211 CO 0.00 0.00 0.00 1.15 -2.08 0.00 0.00 176.86 175.93 3icm h THR 212 N 0.00 0.93 0.00 -3.48 2.02 -1.26 -3.40 112.91 107.72 3icm h THR 212 Ca -0.08 -2.68 0.00 0.00 0.77 0.00 0.00 66.41 64.42 3icm h THR 212 Cb 1.23 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 70.22 3icm h THR 212 CO 0.01 0.73 -0.76 -1.22 0.37 0.00 0.00 175.52 174.65 3icm n TYR 213 N -3.31 -0.03 -0.10 3.16 4.02 -0.63 -4.65 117.16 115.62 3icm n TYR 213 Ca -0.20 0.01 -0.09 0.00 -0.01 0.00 0.00 57.90 57.61 3icm n TYR 213 Cb 1.04 0.03 -0.01 0.00 -0.02 0.00 0.00 39.34 40.38 3icm n TYR 213 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3icm h LEU 214 N 0.00 0.40 0.38 7.72 5.85 -1.15 -2.82 115.31 125.69 3icm h LEU 214 Ca 0.00 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3icm h LEU 214 Cb 0.76 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.69 3icm h LEU 214 CO 0.00 0.32 -0.18 0.25 -0.34 0.00 0.00 178.44 178.48 3icm h LEU 215 N 0.46 -0.43 -1.52 2.25 5.85 -1.02 -1.21 115.31 119.69 3icm h LEU 215 Ca 0.12 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3icm h LEU 215 Cb -0.02 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3icm h LEU 215 CO -0.03 -0.16 -0.08 -0.65 -0.34 0.00 0.00 178.44 177.18 3icm h PRO 216 N -0.69 0.22 -0.02 5.25 0.11 -1.78 0.46 132.00 135.55 3icm h PRO 216 Ca -0.05 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 3icm h PRO 216 Cb 0.49 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 3icm h PRO 216 CO 0.09 0.31 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.10 3icm h LEU 217 N 0.21 0.04 -0.65 2.35 3.38 -1.31 -1.78 115.31 117.55 3icm h LEU 217 Ca 0.05 -0.48 -0.15 0.00 0.09 0.00 0.00 57.88 57.39 3icm h LEU 217 Cb 0.28 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3icm h LEU 217 CO 0.01 0.51 -0.58 0.58 0.09 0.00 0.00 178.44 179.06 3icm h VAL 218 N -0.42 1.36 -0.54 1.22 2.07 -1.17 -2.23 116.25 116.54 3icm h VAL 218 Ca 0.00 -1.90 0.03 0.00 0.82 0.00 0.00 66.70 65.65 3icm h VAL 218 Cb 0.50 1.92 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 3icm h VAL 218 CO 0.00 0.57 0.32 -0.03 0.02 0.00 0.00 177.57 178.45 3icm h MET 219 N 0.24 0.61 -0.74 1.57 1.85 -0.93 0.11 114.93 117.63 3icm h MET 219 Ca -0.00 -0.04 0.06 0.00 -0.61 0.00 0.00 59.70 59.11 3icm h MET 219 Cb 1.08 -0.14 -0.05 0.00 0.43 0.00 0.00 31.60 32.93 3icm h MET 219 CO 0.09 0.40 0.48 0.78 -0.40 0.00 0.00 176.91 178.27 3icm h GLY 220 N 0.63 0.99 1.21 1.39 0.00 -0.75 -1.49 103.07 105.04 3icm h GLY 220 Ca 0.22 -0.31 -0.14 0.00 0.00 0.00 0.00 47.33 47.09 3icm h GLY 220 CO -0.10 0.24 -0.32 1.41 0.00 0.00 0.00 176.54 177.76 3icm h LEU 221 N 0.78 0.93 0.16 3.11 3.38 -0.82 -2.91 115.31 119.95 3icm h LEU 221 Ca 0.32 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3icm h LEU 221 Cb 0.24 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3icm h LEU 221 CO -0.10 1.16 -0.08 -0.26 0.09 0.00 0.00 178.44 179.25 3icm h PHE 222 N 0.74 -0.20 0.00 1.13 0.05 0.17 0.09 116.94 118.92 3icm h PHE 222 Ca 0.08 -0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.86 3icm h PHE 222 Cb 0.89 0.07 0.00 0.00 2.00 0.00 0.00 35.95 38.91 3icm h PHE 222 CO 0.05 0.05 0.00 -0.39 -0.18 0.00 0.00 178.31 177.84 3icm h VAL 223 N -0.44 0.00 0.00 -0.55 -1.51 -1.45 -0.79 116.25 111.50 3icm h VAL 223 Ca -0.02 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 3icm h VAL 223 Cb 0.35 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 3icm h VAL 223 CO 0.04 0.00 -0.73 -1.20 -1.23 0.00 0.00 177.57 174.44 3icm n SER 224 N -2.40 0.66 -2.91 4.19 7.64 -0.95 -4.89 113.62 114.96 3icm n SER 224 Ca 0.01 -0.42 -0.22 0.00 1.01 0.00 0.00 58.87 59.25 3icm n SER 224 Cb 0.21 0.54 0.03 0.00 -1.01 0.00 0.00 64.21 63.99 3icm n SER 224 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3icm n GLU 225 N -1.61 -4.37 -0.13 1.43 -0.58 -0.30 -4.91 120.64 110.17 3icm n GLU 225 Ca 0.04 0.94 0.05 0.00 -0.42 0.00 0.00 57.16 57.77 3icm n GLU 225 Cb 0.36 -5.77 0.12 0.00 -0.57 0.00 0.00 31.44 25.57 3icm n GLU 225 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3icm n ALA 226 N -3.30 2.19 0.20 0.62 0.00 -0.11 -4.74 120.51 115.36 3icm n ALA 226 Ca -0.14 -1.05 0.06 0.00 0.00 0.00 0.00 53.44 52.31 3icm n ALA 226 Cb 0.63 -0.36 0.41 0.00 0.00 0.00 0.00 19.45 20.13 3icm n ALA 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3icm h ALA 227 N 1.70 1.12 0.00 0.00 0.00 -1.91 -1.91 119.26 118.26 3icm h ALA 227 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3icm h ALA 227 Cb 0.66 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3icm h ALA 227 CO 0.00 0.42 -0.07 0.00 0.00 0.00 0.00 179.25 179.60 3icm h ALA 228 N 1.66 1.01 -0.05 0.00 0.00 -1.95 -3.08 119.26 116.86 3icm h ALA 228 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3icm h ALA 228 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3icm h ALA 228 CO 0.04 0.08 0.00 0.45 0.00 0.00 0.00 179.25 179.83 3icm n SER 229 N -3.19 0.34 -4.23 0.00 2.88 -0.72 -4.85 113.62 103.85 3icm n SER 229 Ca 0.00 -2.00 -0.13 0.00 -1.33 0.00 0.00 58.87 55.41 3icm n SER 229 Cb 0.34 -0.06 -0.10 0.00 -0.75 0.00 0.00 64.21 63.64 3icm n SER 229 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3icm s VAL 230 N -1.89 0.99 -0.55 2.46 -7.23 -1.17 -4.39 120.40 108.62 3icm s VAL 230 Ca 0.04 -2.02 -0.21 0.00 -1.81 0.00 0.00 61.98 57.98 3icm s VAL 230 Cb 0.02 -1.86 0.06 0.00 0.56 0.00 0.00 36.38 35.16 3icm s VAL 230 CO 0.02 -0.73 0.77 -0.70 -0.31 0.00 0.00 175.10 174.15 3icm s GLU 231 N -3.79 3.16 0.33 4.82 2.56 -1.26 -4.95 118.70 119.56 3icm s GLU 231 Ca 0.17 -0.78 0.01 0.00 0.00 0.00 0.00 54.97 54.37 3icm s GLU 231 Cb 0.04 -4.13 0.56 0.00 2.00 0.00 0.00 34.13 32.60 3icm s GLU 231 CO -0.00 -1.42 1.95 1.98 -0.56 0.00 0.00 175.26 177.21 3icm h MET 232 N 9.19 0.83 -0.12 4.30 1.85 -1.97 0.75 114.93 129.76 3icm h MET 232 Ca -0.28 -0.09 0.03 0.00 -0.61 0.00 0.00 59.70 58.76 3icm h MET 232 Cb 1.08 -0.17 -0.00 0.00 0.43 0.00 0.00 31.60 32.94 3icm h MET 232 CO 1.05 0.62 0.11 -0.91 -0.40 0.00 0.00 176.91 177.37 3icm h ASN 233 N 0.84 0.00 0.19 1.39 2.35 -1.99 0.31 115.58 118.67 3icm h ASN 233 Ca 0.21 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.72 3icm h ASN 233 Cb 0.03 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.43 3icm h ASN 233 CO -0.03 0.00 -1.09 -0.07 -1.65 0.00 0.00 177.43 174.59 3icm h LEU 234 N 0.00 0.63 -0.53 1.61 3.38 -1.29 -2.48 115.31 116.62 3icm h LEU 234 Ca 0.06 -0.94 0.06 0.00 0.09 0.00 0.00 57.88 57.15 3icm h LEU 234 Cb 0.27 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3icm h LEU 234 CO -0.00 1.52 0.23 0.58 0.09 0.00 0.00 178.44 180.86 3icm h VAL 235 N -0.16 0.88 0.01 1.22 2.07 -0.83 0.44 116.25 119.89 3icm h VAL 235 Ca -0.19 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3icm h VAL 235 Cb 1.86 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 3icm h VAL 235 CO 0.20 0.08 -0.01 -0.33 0.02 0.00 0.00 177.57 177.54 3icm h GLU 236 N 0.44 -0.01 -0.50 1.57 5.08 -1.00 0.11 114.58 120.27 3icm h GLU 236 Ca 0.25 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3icm h GLU 236 Cb 0.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3icm h GLU 236 CO -0.21 0.03 0.24 0.00 -1.00 0.00 0.00 179.01 178.06 3icm h ARG 237 N -0.05 0.69 0.14 2.33 3.08 -0.99 0.29 114.38 119.87 3icm h ARG 237 Ca -0.00 -0.08 -0.30 0.00 0.07 0.00 0.00 59.98 59.67 3icm h ARG 237 Cb 0.05 -0.14 0.03 0.00 0.08 0.00 0.00 29.97 29.99 3icm h ARG 237 CO 0.00 0.54 -1.27 -0.24 -1.07 0.00 0.00 179.97 177.94 3icm h VAL 238 N 0.70 1.33 -0.25 2.04 3.04 -0.65 -2.17 116.25 120.28 3icm h VAL 238 Ca 0.17 -2.60 0.01 0.00 -1.01 0.00 0.00 66.70 63.27 3icm h VAL 238 Cb 0.08 2.78 -0.01 0.00 -2.01 0.00 0.00 31.29 32.12 3icm h VAL 238 CO -0.02 0.78 0.16 0.00 -1.01 0.00 0.00 177.57 177.48 3icm h ALA 239 N 0.35 0.31 -0.72 3.17 0.00 -0.63 -1.31 119.26 120.43 3icm h ALA 239 Ca -0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3icm h ALA 239 Cb 1.95 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.62 3icm h ALA 239 CO 0.23 -0.23 0.39 1.25 0.00 0.00 0.00 179.25 180.90 3icm h HIS 240 N 0.32 0.98 0.32 0.00 6.17 -1.00 0.52 115.15 122.46 3icm h HIS 240 Ca 0.09 -0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.14 3icm h HIS 240 Cb -0.02 -0.31 0.00 0.00 2.52 0.00 0.00 27.41 29.60 3icm h HIS 240 CO -0.07 0.68 -0.15 1.25 0.71 0.00 0.00 177.93 180.35 3icm h LEU 241 N 1.00 -0.36 -1.20 0.26 5.85 -1.06 -1.73 115.31 118.07 3icm h LEU 241 Ca 0.26 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3icm h LEU 241 Cb 0.03 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3icm h LEU 241 CO -0.04 0.09 0.08 0.40 -0.34 0.00 0.00 178.44 178.62 3icm h ILE 242 N -0.95 1.20 -0.38 4.05 2.04 -1.27 -2.22 117.51 119.99 3icm h ILE 242 Ca -0.04 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 3icm h ILE 242 Cb 0.51 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3icm h ILE 242 CO 0.07 0.26 0.10 1.23 0.00 0.00 0.00 178.15 179.81 3icm h GLY 243 N 0.85 0.65 0.82 5.37 0.00 -0.94 0.30 103.07 110.12 3icm h GLY 243 Ca 0.14 -0.40 0.03 0.00 0.00 0.00 0.00 47.33 47.10 3icm h GLY 243 CO 0.00 0.37 0.20 -2.09 0.00 0.00 0.00 176.54 175.02 3icm h GLU 244 N 0.46 0.40 -0.46 4.80 4.81 -1.00 -2.06 114.58 121.54 3icm h GLU 244 Ca 0.12 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3icm h GLU 244 Cb 0.29 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3icm h GLU 244 CO -0.00 0.26 0.19 -0.92 -0.73 0.00 0.00 179.01 177.82 3icm h TYR 245 N 0.41 0.68 -0.65 0.92 5.03 -1.12 0.24 116.97 122.49 3icm h TYR 245 Ca 0.17 -0.05 0.13 0.00 2.58 0.00 0.00 58.73 61.56 3icm h TYR 245 Cb 0.07 -0.21 -0.10 0.00 1.55 0.00 0.00 36.73 38.04 3icm h TYR 245 CO -0.10 0.57 0.11 0.35 -1.32 0.00 0.00 178.16 177.78 3icm h PHE 246 N 0.59 0.16 -0.17 -3.82 3.04 -0.20 -0.68 116.94 115.87 3icm h PHE 246 Ca 0.15 0.04 -0.13 0.00 3.98 0.00 0.00 57.97 62.01 3icm h PHE 246 Cb 0.17 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.70 3icm h PHE 246 CO -0.00 -0.08 -0.46 0.37 -2.02 0.00 0.00 178.31 176.11 3icm h GLN 247 N 0.23 0.44 -0.06 1.11 5.75 -0.92 -2.39 115.11 119.25 3icm h GLN 247 Ca 0.35 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 3icm h GLN 247 Cb 0.56 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.12 3icm h GLN 247 CO -0.47 0.81 0.04 0.28 -2.65 0.00 0.00 178.83 176.84 3icm h VAL 248 N 0.35 1.02 -0.90 2.39 2.07 -0.12 -0.56 116.25 120.50 3icm h VAL 248 Ca 0.02 -0.05 0.16 0.00 0.82 0.00 0.00 66.70 67.66 3icm h VAL 248 Cb 0.95 0.94 -0.10 0.00 -1.52 0.00 0.00 31.29 31.56 3icm h VAL 248 CO 0.08 0.02 0.49 1.56 0.02 0.00 0.00 177.57 179.75 3icm h GLN 249 N 0.08 0.65 -0.38 1.57 4.20 -1.12 -1.01 115.11 119.11 3icm h GLN 249 Ca 0.02 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3icm h GLN 249 Cb -0.00 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3icm h GLN 249 CO -0.00 0.43 0.22 0.22 -0.67 0.00 0.00 178.83 179.03 3icm h ASP 250 N 0.67 0.46 -0.44 1.46 3.58 -0.91 -0.60 116.42 120.65 3icm h ASP 250 Ca 0.50 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.88 3icm h ASP 250 Cb 0.73 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 3icm h ASP 250 CO -0.37 0.39 0.23 0.44 -2.88 0.00 0.00 179.24 177.05 3icm h ASP 251 N 0.49 0.55 -0.55 2.28 5.19 -0.34 -1.04 116.42 123.00 3icm h ASP 251 Ca 0.14 -0.10 -0.07 0.00 -0.62 0.00 0.00 57.03 56.38 3icm h ASP 251 Cb 0.02 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.36 3icm h ASP 251 CO -0.02 0.49 0.08 0.58 -3.12 0.00 0.00 179.24 177.24 3icm h VAL 252 N 0.57 1.26 -0.26 -1.35 2.07 -1.07 -2.93 116.25 114.54 3icm h VAL 252 Ca 0.15 -0.98 -0.09 0.00 0.82 0.00 0.00 66.70 66.60 3icm h VAL 252 Cb 0.06 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3icm h VAL 252 CO -0.02 0.35 -0.22 0.24 0.02 0.00 0.00 177.57 177.94 3icm h MET 253 N 0.81 0.48 -0.90 1.57 2.86 -0.93 -0.26 114.93 118.56 3icm h MET 253 Ca 0.17 -0.17 0.15 0.00 -2.06 0.00 0.00 59.70 57.79 3icm h MET 253 Cb 0.42 -0.03 -0.10 0.00 0.06 0.00 0.00 31.60 31.95 3icm h MET 253 CO 0.01 0.68 0.49 0.22 1.06 0.00 0.00 176.91 179.37 3icm h ASP 254 N 0.43 0.62 0.16 1.22 3.58 -1.00 -0.93 116.42 120.51 3icm h ASP 254 Ca 0.07 0.09 -0.28 0.00 0.42 0.00 0.00 57.03 57.33 3icm h ASP 254 Cb 0.63 -0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.68 3icm h ASP 254 CO 0.04 0.25 -1.32 0.00 -2.88 0.00 0.00 179.24 175.34 3icm n PHE 256 N -3.88 0.00 -3.18 0.00 3.01 -0.14 -4.94 117.46 108.32 3icm n PHE 256 Ca -0.20 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.87 3icm n PHE 256 Cb 0.95 -0.37 -0.06 0.00 -0.01 0.00 0.00 39.48 39.99 3icm n PHE 256 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3icm s THR 257 N -2.99 5.08 0.33 4.37 2.01 -0.37 -5.02 115.64 119.06 3icm s THR 257 Ca -0.06 1.10 -0.28 0.00 0.31 0.00 0.00 61.69 62.77 3icm s THR 257 Cb 0.09 -3.90 -0.12 0.00 0.01 0.00 0.00 72.50 68.58 3icm s THR 257 CO 0.62 0.19 1.27 -2.65 -0.69 0.00 0.00 174.62 173.36 3icm n PRO 258 N 4.55 2.06 0.21 4.92 -0.02 -1.26 -4.71 135.00 140.74 3icm n PRO 258 Ca -0.03 0.72 0.05 0.00 -2.02 0.00 0.00 63.50 62.22 3icm n PRO 258 Cb 0.50 -2.29 0.44 0.00 -0.02 0.00 0.00 33.50 32.14 3icm n PRO 258 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3icm h PRO 259 N 2.55 0.00 -0.97 0.52 0.13 -1.96 0.18 132.00 132.46 3icm h PRO 259 Ca -0.45 0.00 0.31 0.00 -0.87 0.00 0.00 66.00 64.99 3icm h PRO 259 Cb 1.29 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.25 3icm h PRO 259 CO 0.63 0.29 0.30 0.93 -0.23 0.00 0.00 178.00 179.91 3icm h GLU 260 N 0.00 0.09 0.04 0.86 5.08 -1.89 0.48 114.58 119.24 3icm h GLU 260 Ca -0.00 -0.01 -0.38 0.00 -1.00 0.00 0.00 59.36 57.97 3icm h GLU 260 Cb 0.55 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 3icm h GLU 260 CO 0.04 0.06 -2.22 1.04 -1.00 0.00 0.00 179.01 176.93 3icm n GLN 261 N -5.30 0.67 -0.23 2.33 1.13 0.49 -4.52 117.38 111.95 3icm n GLN 261 Ca 0.28 0.24 -0.06 0.00 -1.94 0.00 0.00 57.00 55.52 3icm n GLN 261 Cb 0.92 -1.60 0.04 0.00 0.11 0.00 0.00 30.24 29.72 3icm n GLN 261 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3icm h LEU 262 N -0.20 0.78 0.00 1.08 5.85 -0.97 -3.47 115.31 118.38 3icm h LEU 262 Ca -0.52 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.14 3icm h LEU 262 Cb 1.85 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.68 3icm h LEU 262 CO -0.09 0.61 0.00 0.61 -0.34 0.00 0.00 178.44 179.23 3icm n GLY 263 N -1.16 0.79 3.08 3.75 0.00 0.17 -4.83 105.19 106.98 3icm n GLY 263 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 3icm n GLY 263 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3icm s LYS 264 N -0.22 0.58 -0.11 1.61 -2.85 -1.26 0.55 119.74 118.05 3icm s LYS 264 Ca 0.00 -1.15 -0.03 0.00 -1.00 0.00 0.00 55.97 53.79 3icm s LYS 264 Cb 0.00 0.17 -0.03 0.00 -2.06 0.00 0.00 37.83 35.91 3icm s LYS 264 CO 0.00 -0.10 0.01 0.54 0.10 0.00 0.00 175.35 175.91 3icm s VAL 265 N -3.59 4.41 0.12 1.79 0.11 -1.25 -4.49 120.40 117.49 3icm s VAL 265 Ca 0.04 -0.20 -0.30 0.00 -2.93 0.00 0.00 61.98 58.59 3icm s VAL 265 Cb 0.06 -2.89 -0.06 0.00 -1.53 0.00 0.00 36.38 31.96 3icm s VAL 265 CO -0.09 0.57 1.07 -0.83 -3.33 0.00 0.00 175.10 172.49 3icm s GLY 266 N -0.55 2.81 0.00 6.54 0.00 -1.26 -4.78 107.32 110.08 3icm s GLY 266 Ca 0.10 0.73 0.00 0.00 0.00 0.00 0.00 44.72 45.54 3icm s GLY 266 CO 0.02 1.68 0.38 -1.30 0.00 0.00 0.00 173.10 173.89 3icm n THR 267 N 2.97 0.00 -0.13 0.90 -2.24 -1.26 -4.84 114.28 109.68 3icm n THR 267 Ca 0.04 -0.50 -0.08 0.00 -2.27 0.00 0.00 64.05 61.24 3icm n THR 267 Cb 0.48 1.01 -0.00 0.00 -2.10 0.00 0.00 70.33 69.71 3icm n THR 267 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3icm h ASP 268 N 0.05 0.48 0.04 3.42 3.32 -1.93 0.43 116.42 122.24 3icm h ASP 268 Ca 0.00 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 3icm h ASP 268 Cb 0.01 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3icm h ASP 268 CO 0.00 0.40 -0.02 0.40 -1.72 0.00 0.00 179.24 178.30 3icm h ILE 269 N 0.52 0.99 -0.48 0.35 2.04 -1.91 -0.19 117.51 118.83 3icm h ILE 269 Ca 0.14 -0.08 -0.09 0.00 1.00 0.00 0.00 64.86 65.83 3icm h ILE 269 Cb 0.01 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3icm h ILE 269 CO -0.03 0.02 -0.08 -0.33 0.00 0.00 0.00 178.15 177.73 3icm h GLU 270 N -0.09 0.86 0.00 2.37 3.07 -1.76 -1.72 114.58 117.30 3icm h GLU 270 Ca -0.01 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 3icm h GLU 270 Cb 0.07 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3icm h GLU 270 CO 0.01 0.91 0.00 -0.25 -1.40 0.00 0.00 179.01 178.28 3icm n ASP 271 N -4.17 0.00 -3.37 1.42 9.92 0.15 -4.02 116.55 116.49 3icm n ASP 271 Ca 0.02 -0.57 -0.24 0.00 -0.53 0.00 0.00 54.79 53.47 3icm n ASP 271 Cb 0.36 -0.10 0.06 0.00 -0.64 0.00 0.00 41.12 40.80 3icm n ASP 271 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3icm n ALA 272 N -1.10 -1.16 -1.77 2.24 0.00 -0.69 -4.94 120.51 113.09 3icm n ALA 272 Ca 0.17 0.34 -0.40 0.00 0.00 0.00 0.00 53.44 53.55 3icm n ALA 272 Cb 0.13 -4.74 -0.03 0.00 0.00 0.00 0.00 19.45 14.82 3icm n ALA 272 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3icm s LYS 273 N -6.07 4.37 -1.02 0.00 -0.14 -0.17 -4.37 119.74 112.35 3icm s LYS 273 Ca 0.47 2.01 -0.22 0.00 -1.36 0.00 0.00 55.97 56.87 3icm s LYS 273 Cb -0.21 -3.02 -0.11 0.00 -1.68 0.00 0.00 37.83 32.81 3icm s LYS 273 CO 0.58 -0.10 1.93 0.00 -0.76 0.00 0.00 175.35 177.00 3icm s SER 275 N 5.61 4.89 0.21 0.00 1.04 -1.26 -4.91 113.70 119.28 3icm s SER 275 Ca 0.62 0.44 -0.10 0.00 0.48 0.00 0.00 55.95 57.40 3icm s SER 275 Cb 0.07 -1.13 0.15 0.00 0.10 0.00 0.00 66.02 65.20 3icm s SER 275 CO 0.12 -1.54 1.82 -0.25 0.98 0.00 0.00 173.24 174.38 3icm h TRP 276 N -0.53 1.03 -0.03 5.02 7.01 -1.91 -2.06 115.95 124.48 3icm h TRP 276 Ca -0.44 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 60.54 3icm h TRP 276 Cb 1.31 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 28.03 3icm h TRP 276 CO 0.35 0.72 -0.03 -0.07 -2.79 0.00 0.00 178.44 176.62 3icm h LEU 277 N 1.04 -0.09 -0.80 0.65 3.38 -1.93 0.93 115.31 118.49 3icm h LEU 277 Ca 0.27 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 3icm h LEU 277 Cb 0.03 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3icm h LEU 277 CO -0.04 -0.04 0.35 0.00 0.09 0.00 0.00 178.44 178.79 3icm h ALA 278 N 0.98 1.04 -0.53 1.53 0.00 -1.88 -0.78 119.26 119.63 3icm h ALA 278 Ca 0.02 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3icm h ALA 278 Cb 0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3icm h ALA 278 CO -0.05 0.64 -0.11 0.28 0.00 0.00 0.00 179.25 180.02 3icm h VAL 279 N 1.16 1.27 -0.09 0.00 2.07 -1.13 -2.75 116.25 116.77 3icm h VAL 279 Ca 0.27 -1.25 -0.19 0.00 0.82 0.00 0.00 66.70 66.35 3icm h VAL 279 Cb 0.18 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3icm h VAL 279 CO -0.03 0.44 -0.69 0.74 0.02 0.00 0.00 177.57 178.05 3icm h THR 280 N 0.88 1.33 -0.03 2.57 2.02 -0.61 -2.41 112.91 116.65 3icm h THR 280 Ca 0.14 -1.97 0.03 0.00 0.77 0.00 0.00 66.41 65.38 3icm h THR 280 Cb 0.66 2.19 -0.03 0.00 -1.74 0.00 0.00 68.15 69.23 3icm h THR 280 CO 0.05 0.60 -0.13 0.15 0.37 0.00 0.00 175.52 176.56 3icm h PHE 281 N 0.29 -0.33 0.00 3.16 3.57 -1.19 -1.48 116.94 120.96 3icm h PHE 281 Ca -0.06 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.45 3icm h PHE 281 Cb 1.34 0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.23 3icm h PHE 281 CO 0.11 -0.19 0.00 1.28 -2.23 0.00 0.00 178.31 177.27 3icm n LEU 282 N -5.26 0.33 -0.66 0.59 4.77 -1.04 -1.05 117.00 114.68 3icm n LEU 282 Ca -0.05 0.62 0.11 0.00 -0.03 0.00 0.00 56.01 56.67 3icm n LEU 282 Cb 0.18 -0.63 0.36 0.00 -2.33 0.00 0.00 43.42 41.01 3icm n LEU 282 CO 0.26 -0.62 0.77 0.61 -1.33 0.00 0.00 177.39 177.08 3icm n GLY 283 N -0.86 0.49 0.00 -0.72 0.00 -0.56 -4.42 105.19 99.13 3icm n GLY 283 Ca 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3icm n GLY 283 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3icm n LYS 284 N 0.54 2.34 -2.25 1.61 2.85 -0.79 -5.09 118.16 117.37 3icm n LYS 284 Ca 0.17 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 57.09 3icm n LYS 284 Cb 0.40 -0.19 -0.00 0.00 -0.65 0.00 0.00 35.03 34.58 3icm n LYS 284 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3icm s ALA 285 N 0.00 2.72 0.87 0.58 0.00 -0.21 -5.06 121.76 120.66 3icm s ALA 285 Ca 0.00 0.70 -0.12 0.00 0.00 0.00 0.00 51.96 52.53 3icm s ALA 285 Cb 0.00 -3.32 0.15 0.00 0.00 0.00 0.00 23.12 19.95 3icm s ALA 285 CO 0.00 -0.72 1.22 0.54 0.00 0.00 0.00 175.76 176.80 3icm s ASN 286 N -2.01 3.75 0.38 0.00 2.20 -1.26 -4.84 114.94 113.16 3icm s ASN 286 Ca 0.70 0.33 0.09 0.00 -0.94 0.00 0.00 52.86 53.04 3icm s ASN 286 Cb -0.21 -0.58 0.85 0.00 -2.00 0.00 0.00 41.25 39.31 3icm s ASN 286 CO 0.28 -2.33 1.93 0.00 -2.94 0.00 0.00 177.10 174.04 3icm h ALA 287 N -1.27 1.85 0.00 3.54 0.00 -2.00 -2.23 119.26 119.15 3icm h ALA 287 Ca -0.44 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 3icm h ALA 287 Cb 1.27 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3icm h ALA 287 CO 0.47 -0.01 -0.85 0.00 0.00 0.00 0.00 179.25 178.86 3icm h ALA 288 N 1.62 0.47 0.02 0.00 0.00 -1.99 -2.36 119.26 117.03 3icm h ALA 288 Ca 0.35 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3icm h ALA 288 Cb 0.52 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3icm h ALA 288 CO -0.13 1.06 -0.01 1.96 0.00 0.00 0.00 179.25 182.13 3icm h GLN 289 N 0.00 -0.03 -0.74 0.00 4.20 -1.85 -2.62 115.11 114.07 3icm h GLN 289 Ca -0.01 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.87 3icm h GLN 289 Cb 1.62 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 29.30 3icm h GLN 289 CO 0.11 0.50 0.18 0.28 -0.67 0.00 0.00 178.83 179.23 3icm h VAL 290 N -0.57 0.50 -0.67 -0.54 2.07 -1.41 0.24 116.25 115.88 3icm h VAL 290 Ca -0.00 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3icm h VAL 290 Cb 0.54 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3icm h VAL 290 CO 0.00 0.05 0.26 0.00 0.02 0.00 0.00 177.57 177.91 3icm h ALA 291 N 1.62 0.87 0.02 1.67 0.00 -1.40 -0.61 119.26 121.42 3icm h ALA 291 Ca 0.42 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.95 3icm h ALA 291 Cb 0.73 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3icm h ALA 291 CO -0.52 0.49 -0.94 1.49 0.00 0.00 0.00 179.25 179.77 3icm h GLU 292 N 0.94 0.10 0.10 0.00 4.81 -1.05 -1.98 114.58 117.50 3icm h GLU 292 Ca 0.22 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3icm h GLU 292 Cb 0.21 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3icm h GLU 292 CO -0.02 0.96 -0.05 0.35 -0.73 0.00 0.00 179.01 179.52 3icm h PHE 293 N 0.04 -0.13 0.00 0.92 3.57 -0.28 -2.87 116.94 118.19 3icm h PHE 293 Ca -0.04 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 3icm h PHE 293 Cb 1.62 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 40.40 3icm h PHE 293 CO 0.02 -0.08 -0.12 0.87 -2.23 0.00 0.00 178.31 176.76 3icm h LYS 294 N -0.14 0.00 0.00 1.11 1.57 -1.08 -1.52 116.57 116.51 3icm h LYS 294 Ca -0.01 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3icm h LYS 294 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3icm h LYS 294 CO 0.02 0.12 -0.19 0.00 -0.57 0.00 0.00 179.45 178.84 3icm h ALA 295 N 1.88 1.07 0.00 3.86 0.00 -1.14 -3.37 119.26 121.55 3icm h ALA 295 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3icm h ALA 295 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3icm h ALA 295 CO 0.02 0.24 -0.30 0.09 0.00 0.00 0.00 179.25 179.30 3icm n ASN 296 N -3.42 1.49 -4.75 0.00 3.02 -0.84 -5.08 115.26 105.67 3icm n ASN 296 Ca -0.00 -0.27 -0.41 0.00 -0.03 0.00 0.00 54.58 53.87 3icm n ASN 296 Cb 0.38 0.84 -0.04 0.00 -0.61 0.00 0.00 39.78 40.35 3icm n ASN 296 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3icm s TYR 297 N -1.14 3.42 0.00 3.10 5.04 -0.63 -3.87 117.35 123.27 3icm s TYR 297 Ca 0.00 1.53 0.00 0.00 -2.44 0.00 0.00 57.07 56.16 3icm s TYR 297 Cb 0.00 -3.42 0.00 0.00 0.35 0.00 0.00 41.96 38.89 3icm s TYR 297 CO 0.00 -1.07 0.00 0.41 -1.34 0.00 0.00 175.55 173.55 3icm n GLY 298 N 1.58 0.42 3.47 8.97 0.00 -0.69 -4.94 105.19 113.99 3icm n GLY 298 Ca 0.01 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 3icm n GLY 298 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3icm s ASP 299 N -2.94 4.12 0.00 1.61 2.15 -1.25 -4.67 116.67 115.69 3icm s ASP 299 Ca 0.00 -0.20 0.14 0.00 0.43 0.00 0.00 52.55 52.92 3icm s ASP 299 Cb 0.00 -1.08 0.80 0.00 -0.30 0.00 0.00 42.92 42.33 3icm s ASP 299 CO 0.00 0.30 1.28 0.29 -0.17 0.00 0.00 175.17 176.87 3icm n LYS 300 N 2.60 0.38 -1.89 4.34 5.02 -1.26 -4.49 118.16 122.85 3icm n LYS 300 Ca -0.17 0.04 -0.43 0.00 -2.02 0.00 0.00 58.31 55.73 3icm n LYS 300 Cb 0.52 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 3icm n LYS 300 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3icm s ASP 301 N -2.13 6.20 0.37 4.39 2.15 -1.26 -4.95 116.67 121.44 3icm s ASP 301 Ca 0.19 1.95 0.20 0.00 0.43 0.00 0.00 52.55 55.32 3icm s ASP 301 Cb 0.09 -2.53 1.25 0.00 -0.30 0.00 0.00 42.92 41.43 3icm s ASP 301 CO 0.17 -1.35 1.63 -0.65 -0.17 0.00 0.00 175.17 174.80 3icm h PRO 302 N 11.62 0.17 0.00 4.34 0.11 -2.00 -1.39 132.00 144.85 3icm h PRO 302 Ca -0.39 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.61 3icm h PRO 302 Cb 1.19 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3icm h PRO 302 CO 0.98 0.11 -0.82 0.00 -0.21 0.00 0.00 178.00 178.06 3icm h ALA 303 N 1.83 0.68 -0.05 -0.75 0.00 -1.96 -1.89 119.26 117.12 3icm h ALA 303 Ca 0.79 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 3icm h ALA 303 Cb 2.05 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.90 3icm h ALA 303 CO -0.61 0.54 -0.07 0.87 0.00 0.00 0.00 179.25 179.98 3icm h LYS 304 N 0.00 0.14 -0.70 0.00 1.57 -1.61 -2.67 116.57 113.29 3icm h LYS 304 Ca -0.05 -0.08 0.13 0.00 -1.87 0.00 0.00 60.65 58.77 3icm h LYS 304 Cb 1.34 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.56 3icm h LYS 304 CO 0.04 0.63 0.24 0.28 -0.57 0.00 0.00 179.45 180.07 3icm h VAL 305 N -0.34 0.66 0.00 0.50 2.07 -1.34 -1.29 116.25 116.50 3icm h VAL 305 Ca 0.01 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 3icm h VAL 305 Cb 0.61 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3icm h VAL 305 CO 0.02 0.07 -0.22 0.00 0.02 0.00 0.00 177.57 177.46 3icm h ALA 306 N 1.52 1.13 -0.07 1.67 0.00 -1.37 -2.21 119.26 119.94 3icm h ALA 306 Ca 0.38 -0.20 -0.24 0.00 0.00 0.00 0.00 54.91 54.85 3icm h ALA 306 Cb 0.56 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.33 3icm h ALA 306 CO -0.40 0.27 -0.90 0.28 0.00 0.00 0.00 179.25 178.51 3icm h VAL 307 N 0.00 1.31 -0.27 0.00 2.07 -0.89 -2.48 116.25 115.99 3icm h VAL 307 Ca -0.00 -2.16 -0.00 0.00 0.82 0.00 0.00 66.70 65.35 3icm h VAL 307 Cb 0.61 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 3icm h VAL 307 CO 0.03 0.67 0.16 0.58 0.02 0.00 0.00 177.57 179.03 3icm h VAL 308 N 0.41 1.09 -0.59 2.57 2.07 -0.96 -1.11 116.25 119.73 3icm h VAL 308 Ca -0.08 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.28 3icm h VAL 308 Cb 1.53 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 3icm h VAL 308 CO 0.17 0.09 0.32 0.11 0.02 0.00 0.00 177.57 178.28 3icm h LYS 309 N 0.34 0.59 -0.55 1.57 1.57 -1.45 -0.26 116.57 118.37 3icm h LYS 309 Ca 0.10 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3icm h LYS 309 Cb 0.00 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 3icm h LYS 309 CO -0.02 0.39 0.34 -0.09 -0.57 0.00 0.00 179.45 179.50 3icm h ARG 310 N 0.60 0.74 -0.36 3.15 2.43 -1.33 0.63 114.38 120.24 3icm h ARG 310 Ca 0.26 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.29 3icm h ARG 310 Cb 0.15 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3icm h ARG 310 CO -0.16 0.52 -0.09 -0.07 -1.51 0.00 0.00 179.97 178.66 3icm h LEU 311 N 0.75 0.59 -0.21 3.80 3.38 -0.71 -0.96 115.31 121.94 3icm h LEU 311 Ca 0.20 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3icm h LEU 311 Cb -0.04 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3icm h LEU 311 CO -0.04 0.72 0.12 1.88 0.09 0.00 0.00 178.44 181.21 3icm h TYR 312 N 0.57 0.29 -0.30 1.13 -1.99 -0.71 -1.97 116.97 114.00 3icm h TYR 312 Ca 0.11 -0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.77 3icm h TYR 312 Cb 0.49 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 39.11 3icm h TYR 312 CO 0.02 0.26 -0.09 0.77 -0.00 0.00 0.00 178.16 179.12 3icm h SER 313 N 0.24 0.47 0.72 3.88 0.02 -0.69 -2.98 113.55 115.20 3icm h SER 313 Ca 0.08 -0.11 -0.13 0.00 -0.84 0.00 0.00 61.79 60.78 3icm h SER 313 Cb 0.06 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3icm h SER 313 CO -0.01 0.60 -0.63 -0.33 -1.14 0.00 0.00 176.83 175.32 3icm h GLU 314 N 0.46 0.00 -0.02 3.45 5.08 -1.11 -2.93 114.58 119.51 3icm h GLU 314 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3icm h GLU 314 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3icm h GLU 314 CO 0.02 0.63 0.00 0.00 -1.00 0.00 0.00 179.01 178.66 3icm n ALA 315 N -2.39 2.63 -3.69 3.43 0.00 -0.75 -4.94 120.51 114.80 3icm n ALA 315 Ca -0.01 -0.27 -0.26 0.00 0.00 0.00 0.00 53.44 52.90 3icm n ALA 315 Cb 0.64 -1.35 0.03 0.00 0.00 0.00 0.00 19.45 18.77 3icm n ALA 315 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3icm n ASN 316 N -0.57 -3.57 0.10 0.00 3.02 -1.11 -4.89 115.26 108.25 3icm n ASN 316 Ca 0.20 -0.94 -0.04 0.00 -0.03 0.00 0.00 54.58 53.77 3icm n ASN 316 Cb 0.17 -3.67 0.06 0.00 -0.61 0.00 0.00 39.78 35.73 3icm n ASN 316 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3icm h LEU 317 N -1.80 0.07 -1.71 3.41 3.38 -1.80 -2.88 115.31 113.99 3icm h LEU 317 Ca -0.64 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.28 3icm h LEU 317 Cb 1.36 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3icm h LEU 317 CO 0.52 0.81 0.00 0.00 0.09 0.00 0.00 178.44 179.86 3icm n GLN 318 N -3.67 0.48 0.00 1.13 6.02 -1.26 -0.08 117.38 120.00 3icm n GLN 318 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3icm n GLN 318 Cb 0.73 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.74 3icm n GLN 318 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3icm n ALA 319 N 0.61 0.00 -0.11 -1.58 0.00 -1.09 -4.45 120.51 113.88 3icm n ALA 319 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3icm n ALA 319 Cb 0.21 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.74 3icm n ALA 319 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3icm h ASP 320 N 0.00 0.83 -0.85 0.00 5.19 -1.06 -2.84 116.42 117.69 3icm h ASP 320 Ca 0.00 -0.27 -0.01 0.00 -0.62 0.00 0.00 57.03 56.13 3icm h ASP 320 Cb 0.00 -0.23 -0.04 0.00 0.18 0.00 0.00 39.33 39.24 3icm h ASP 320 CO 0.00 0.99 0.51 0.15 -3.12 0.00 0.00 179.24 177.76 3icm h PHE 321 N 0.74 1.13 -0.32 4.55 3.57 -0.74 -1.46 116.94 124.40 3icm h PHE 321 Ca 0.12 -0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.44 3icm h PHE 321 Cb 0.66 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 3icm h PHE 321 CO 0.04 0.76 -0.47 0.00 -2.23 0.00 0.00 178.31 176.40 3icm h ALA 322 N 1.37 0.55 -0.52 2.41 0.00 -1.77 0.97 119.26 122.27 3icm h ALA 322 Ca 0.31 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3icm h ALA 322 Cb -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3icm h ALA 322 CO -0.06 0.68 0.15 0.00 0.00 0.00 0.00 179.25 180.02 3icm h ALA 323 N 0.77 1.27 -0.03 0.00 0.00 -1.35 -0.50 119.26 119.42 3icm h ALA 323 Ca 0.04 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3icm h ALA 323 Cb 1.07 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.65 3icm h ALA 323 CO 0.11 0.51 -0.37 -0.92 0.00 0.00 0.00 179.25 178.58 3icm h TYR 324 N 0.77 0.43 -0.74 0.00 3.20 -1.01 -2.42 116.97 117.20 3icm h TYR 324 Ca 0.17 -0.21 0.11 0.00 3.14 0.00 0.00 58.73 61.94 3icm h TYR 324 Cb 0.25 -0.06 -0.08 0.00 1.54 0.00 0.00 36.73 38.39 3icm h TYR 324 CO 0.01 0.99 0.36 1.49 -1.64 0.00 0.00 178.16 179.37 3icm h GLU 325 N -0.25 0.57 -0.40 1.82 4.81 -0.71 -0.03 114.58 120.38 3icm h GLU 325 Ca -0.04 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3icm h GLU 325 Cb 1.07 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 3icm h GLU 325 CO 0.07 0.37 0.18 0.00 -0.73 0.00 0.00 179.01 178.91 3icm h ALA 326 N 1.46 0.52 -0.88 2.92 0.00 -1.08 0.21 119.26 122.41 3icm h ALA 326 Ca 0.37 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3icm h ALA 326 Cb 0.44 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3icm h ALA 326 CO -0.30 0.09 0.47 1.49 0.00 0.00 0.00 179.25 181.00 3icm h GLU 327 N 0.51 1.24 0.01 0.00 4.57 -0.91 -2.78 114.58 117.22 3icm h GLU 327 Ca 0.14 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3icm h GLU 327 Cb 0.14 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 3icm h GLU 327 CO -0.02 0.92 -0.00 0.28 -1.18 0.00 0.00 179.01 179.01 3icm h VAL 328 N 1.24 1.09 -0.75 0.32 2.07 -0.62 -2.16 116.25 117.44 3icm h VAL 328 Ca 0.31 -0.29 0.16 0.00 0.82 0.00 0.00 66.70 67.71 3icm h VAL 328 Cb 0.05 1.28 -0.11 0.00 -1.52 0.00 0.00 31.29 30.99 3icm h VAL 328 CO -0.05 0.07 0.21 0.58 0.02 0.00 0.00 177.57 178.41 3icm h VAL 329 N -0.13 0.53 -0.03 2.57 2.07 -0.57 -0.49 116.25 120.20 3icm h VAL 329 Ca -0.00 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.45 3icm h VAL 329 Cb 0.13 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 3icm h VAL 329 CO 0.00 0.06 -0.22 0.03 0.02 0.00 0.00 177.57 177.46 3icm h ARG 330 N 0.30 -0.31 -0.04 1.57 3.08 -1.27 -1.99 114.38 115.72 3icm h ARG 330 Ca 0.43 0.02 -0.18 0.00 0.07 0.00 0.00 59.98 60.32 3icm h ARG 330 Cb 0.73 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 3icm h ARG 330 CO -0.50 -0.21 -0.75 0.93 -1.07 0.00 0.00 179.97 178.38 3icm h GLU 331 N -0.32 0.27 -0.04 0.04 5.08 -0.70 -2.25 114.58 116.66 3icm h GLU 331 Ca 0.07 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3icm h GLU 331 Cb 0.42 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 3icm h GLU 331 CO -0.22 0.90 -0.01 0.28 -1.00 0.00 0.00 179.01 178.95 3icm h VAL 332 N 0.18 1.32 -0.63 3.13 2.07 -1.08 -1.75 116.25 119.49 3icm h VAL 332 Ca -0.03 -0.97 0.10 0.00 0.82 0.00 0.00 66.70 66.62 3icm h VAL 332 Cb 1.32 1.89 -0.08 0.00 -1.52 0.00 0.00 31.29 32.91 3icm h VAL 332 CO 0.12 0.26 0.22 -0.33 0.02 0.00 0.00 177.57 177.86 3icm h GLU 333 N -0.30 0.38 -0.56 1.57 5.08 -1.33 0.76 114.58 120.18 3icm h GLU 333 Ca 0.01 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3icm h GLU 333 Cb 0.43 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3icm h GLU 333 CO 0.00 0.25 0.35 1.03 -1.00 0.00 0.00 179.01 179.65 3icm h SER 334 N 0.39 0.60 -0.56 1.42 0.87 -1.33 0.00 113.55 114.93 3icm h SER 334 Ca 0.32 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.80 3icm h SER 334 Cb 0.43 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 3icm h SER 334 CO -0.33 0.43 0.06 -0.07 -0.53 0.00 0.00 176.83 176.38 3icm h LEU 335 N 0.71 0.93 -0.37 2.23 3.38 -0.87 -1.30 115.31 120.02 3icm h LEU 335 Ca 0.21 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3icm h LEU 335 Cb -0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3icm h LEU 335 CO -0.07 0.98 0.20 0.40 0.09 0.00 0.00 178.44 180.04 3icm h ILE 336 N 0.85 1.01 -0.46 1.22 2.04 -0.52 -0.34 117.51 121.31 3icm h ILE 336 Ca 0.17 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.96 3icm h ILE 336 Cb 0.47 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 3icm h ILE 336 CO 0.02 0.08 0.11 -0.33 0.00 0.00 0.00 178.15 178.02 3icm h GLU 337 N 0.41 0.25 -0.44 2.37 4.39 -0.93 -0.58 114.58 120.05 3icm h GLU 337 Ca 0.15 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 3icm h GLU 337 Cb 0.04 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 3icm h GLU 337 CO -0.09 0.16 0.16 1.96 -1.16 0.00 0.00 179.01 180.05 3icm h GLN 338 N 0.25 0.62 -0.10 2.33 1.08 -0.61 -2.62 115.11 116.07 3icm h GLN 338 Ca 0.22 -0.09 -0.11 0.00 -1.45 0.00 0.00 58.65 57.22 3icm h GLN 338 Cb 0.27 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 3icm h GLN 338 CO -0.28 0.53 -0.45 -0.07 -0.95 0.00 0.00 178.83 177.61 3icm h LEU 339 N 0.62 0.24 -1.99 1.46 3.38 -0.55 -3.09 115.31 115.38 3icm h LEU 339 Ca 0.15 -0.11 0.28 0.00 0.09 0.00 0.00 57.88 58.30 3icm h LEU 339 Cb 0.14 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3icm h LEU 339 CO -0.01 0.66 0.71 0.11 0.09 0.00 0.00 178.44 180.00 3icm h LYS 340 N 0.19 0.00 -0.57 1.13 1.57 -0.72 -2.22 116.57 115.94 3icm h LYS 340 Ca 0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3icm h LYS 340 Cb 0.87 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 3icm h LYS 340 CO 0.07 0.00 0.29 0.28 -0.57 0.00 0.00 179.45 179.52 3icm h VAL 341 N 0.00 1.20 0.00 0.50 2.07 -1.62 -3.31 116.25 115.09 3icm h VAL 341 Ca 0.46 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 3icm h VAL 341 Cb 1.88 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 3icm h VAL 341 CO -0.00 0.22 -2.02 0.29 0.02 0.00 0.00 177.57 176.08 3icm n LYS 342 N -4.56 0.69 -3.22 1.57 5.02 -1.12 -4.92 118.16 111.62 3icm n LYS 342 Ca 0.03 -0.14 -0.02 0.00 -2.02 0.00 0.00 58.31 56.16 3icm n LYS 342 Cb 0.11 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 3icm n LYS 342 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3icm s SER 343 N -4.59 -0.75 0.28 4.39 0.15 -0.85 -4.87 113.70 107.46 3icm s SER 343 Ca -0.08 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.36 3icm s SER 343 Cb 0.11 1.62 0.51 0.00 -1.71 0.00 0.00 66.02 66.55 3icm s SER 343 CO 0.83 -0.30 1.87 -0.65 1.20 0.00 0.00 173.24 176.19 3icm h PRO 344 N 7.91 1.03 -0.31 5.44 0.11 -1.76 -2.03 132.00 142.38 3icm h PRO 344 Ca -0.03 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 3icm h PRO 344 Cb 1.16 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 3icm h PRO 344 CO 0.19 0.68 0.13 1.15 -0.21 0.00 0.00 178.00 179.94 3icm h THR 345 N 1.06 1.18 -0.22 -1.15 2.02 -1.93 -1.16 112.91 112.70 3icm h THR 345 Ca 0.45 -0.53 -0.18 0.00 0.77 0.00 0.00 66.41 66.92 3icm h THR 345 Cb 0.32 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3icm h THR 345 CO -0.20 0.18 -0.55 0.15 0.37 0.00 0.00 175.52 175.48 3icm h PHE 346 N 0.35 0.98 -0.75 3.16 3.57 -1.90 -1.61 116.94 120.75 3icm h PHE 346 Ca 0.10 -0.37 0.15 0.00 3.53 0.00 0.00 57.97 61.38 3icm h PHE 346 Cb 0.17 -0.18 -0.10 0.00 2.79 0.00 0.00 35.95 38.63 3icm h PHE 346 CO -0.01 1.18 0.25 0.00 -2.23 0.00 0.00 178.31 177.50 3icm h ALA 347 N 0.62 1.03 -0.31 2.41 0.00 -1.29 0.46 119.26 122.17 3icm h ALA 347 Ca -0.00 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3icm h ALA 347 Cb 1.16 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3icm h ALA 347 CO 0.12 -0.28 0.01 1.49 0.00 0.00 0.00 179.25 180.59 3icm h GLU 348 N 0.36 0.54 -0.73 0.00 4.57 -1.11 0.61 114.58 118.81 3icm h GLU 348 Ca 0.42 -0.17 0.12 0.00 -1.18 0.00 0.00 59.36 58.56 3icm h GLU 348 Cb 0.69 -0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 29.14 3icm h GLU 348 CO -0.46 0.67 0.32 0.77 -1.18 0.00 0.00 179.01 179.14 3icm h SER 349 N 0.34 0.35 -0.57 1.04 0.02 -0.68 0.95 113.55 115.01 3icm h SER 349 Ca 0.09 0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 61.04 3icm h SER 349 Cb 0.42 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 3icm h SER 349 CO 0.01 0.17 0.02 0.58 -1.14 0.00 0.00 176.83 176.48 3icm h VAL 350 N 0.51 1.26 -0.50 2.27 2.07 -0.68 -1.29 116.25 119.88 3icm h VAL 350 Ca 0.39 -1.09 0.08 0.00 0.82 0.00 0.00 66.70 66.89 3icm h VAL 350 Cb 0.52 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 3icm h VAL 350 CO -0.35 0.39 0.15 0.00 0.02 0.00 0.00 177.57 177.79 3icm h ALA 351 N 0.98 0.60 -0.67 1.67 0.00 0.12 0.16 119.26 122.12 3icm h ALA 351 Ca 0.16 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3icm h ALA 351 Cb 0.51 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3icm h ALA 351 CO 0.02 -0.25 0.44 0.28 0.00 0.00 0.00 179.25 179.74 3icm h VAL 352 N 0.32 1.14 -0.45 0.00 2.07 -0.66 -0.93 116.25 117.74 3icm h VAL 352 Ca 0.25 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 3icm h VAL 352 Cb 0.29 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 3icm h VAL 352 CO -0.28 0.16 0.18 0.58 0.02 0.00 0.00 177.57 178.23 3icm h VAL 353 N 0.88 1.21 -0.48 2.57 2.07 -0.27 -1.10 116.25 121.12 3icm h VAL 353 Ca 0.25 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 67.15 3icm h VAL 353 Cb -0.06 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3icm h VAL 353 CO -0.07 0.24 0.28 -0.25 0.02 0.00 0.00 177.57 177.79 3icm h TRP 354 N 0.59 0.53 0.30 1.57 -0.00 -0.53 -2.42 115.95 115.99 3icm h TRP 354 Ca 0.15 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 59.05 3icm h TRP 354 Cb 0.20 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.16 29.18 3icm h TRP 354 CO 0.00 0.30 -0.25 1.49 -0.00 0.00 0.00 178.44 179.99 3icm h GLU 355 N 0.57 -0.54 -0.79 2.65 4.22 -0.94 0.32 114.58 120.06 3icm h GLU 355 Ca 0.19 0.04 0.13 0.00 0.08 0.00 0.00 59.36 59.80 3icm h GLU 355 Cb 0.02 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 3icm h GLU 355 CO -0.09 -0.36 0.52 0.87 -2.18 0.00 0.00 179.01 177.77 3icm h LYS 356 N -0.56 0.55 0.04 1.92 1.57 -1.11 -2.33 116.57 116.64 3icm h LYS 356 Ca -0.02 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3icm h LYS 356 Cb 0.50 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3icm h LYS 356 CO -0.02 0.36 -0.02 1.15 -0.57 0.00 0.00 179.45 180.35 3icm h THR 357 N 0.56 1.29 -0.34 -0.16 2.02 -1.03 -3.13 112.91 112.13 3icm h THR 357 Ca 0.39 -1.68 0.07 0.00 0.77 0.00 0.00 66.41 65.96 3icm h THR 357 Cb 0.70 2.31 -0.08 0.00 -1.74 0.00 0.00 68.15 69.35 3icm h THR 357 CO -0.15 0.39 -0.23 -0.74 0.37 0.00 0.00 175.52 175.16 3icm h HIS 358 N -0.88 -0.60 0.00 3.16 -0.00 -0.81 -1.86 115.15 114.17 3icm h HIS 358 Ca -0.01 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 3icm h HIS 358 Cb 0.68 0.32 0.00 0.00 -0.00 0.00 0.00 27.41 28.41 3icm h HIS 358 CO 0.17 -0.31 0.00 1.63 -0.00 0.00 0.00 177.93 179.42 3icm n LYS 359 N -5.38 0.29 -1.62 5.26 4.01 -0.89 -4.93 118.16 114.90 3icm n LYS 359 Ca 0.01 0.11 -0.46 0.00 -0.51 0.00 0.00 58.31 57.46 3icm n LYS 359 Cb 0.29 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 33.29 3icm n LYS 359 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 3icm n ARG 360 N -1.24 1.55 0.00 1.97 0.63 -0.70 -4.95 116.66 113.92 3icm n ARG 360 Ca 0.09 0.55 0.00 0.00 -0.92 0.00 0.00 57.85 57.57 3icm n ARG 360 Cb 0.12 -2.06 0.00 0.00 0.45 0.00 0.00 32.46 30.97 3icm n ARG 360 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3icm n LYS 361 N 1.43 3.45 0.00 -0.14 5.02 -1.26 -5.09 118.16 121.57 3icm n LYS 361 Ca 0.12 -0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 3icm n LYS 361 Cb 0.30 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 34.61 3icm n LYS 361 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24