#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cic s THR 2 N 0.00 2.92 0.22 2.03 -4.23 -1.26 -4.86 115.64 110.45 2cic s THR 2 Ca 0.00 0.30 -0.06 0.00 -1.18 0.00 0.00 61.69 60.75 2cic s THR 2 Cb 0.00 -3.09 0.10 0.00 1.34 0.00 0.00 72.50 70.85 2cic s THR 2 CO 0.00 -0.39 1.71 0.78 -0.54 0.00 0.00 174.62 176.18 2cic h ASN 3 N -1.09 0.96 -0.83 3.99 2.35 -2.03 -1.04 115.58 117.89 2cic h ASN 3 Ca -0.47 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.03 2cic h ASN 3 Cb 1.28 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 39.35 2cic h ASN 3 CO 0.61 0.98 0.46 0.40 -1.65 0.00 0.00 177.43 178.22 2cic h ILE 4 N 0.93 1.24 -0.63 2.81 2.04 -1.93 -1.20 117.51 120.78 2cic h ILE 4 Ca 0.18 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 2cic h ILE 4 Cb 0.45 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 2cic h ILE 4 CO 0.02 0.27 0.18 -0.33 0.00 0.00 0.00 178.15 178.29 2cic h GLU 5 N 1.15 0.96 -0.22 2.37 5.08 -1.73 0.14 114.58 122.33 2cic h GLU 5 Ca 0.29 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2cic h GLU 5 Cb 0.02 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2cic h GLU 5 CO -0.05 0.83 0.13 0.82 -1.00 0.00 0.00 179.01 179.74 2cic h ILE 6 N 0.92 1.03 -0.61 3.13 2.04 -0.94 0.24 117.51 123.33 2cic h ILE 6 Ca 0.20 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 2cic h ILE 6 Cb 0.29 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 2cic h ILE 6 CO -0.01 0.05 0.33 -0.07 0.00 0.00 0.00 178.15 178.45 2cic h LEU 7 N 0.26 0.77 -1.04 1.44 3.38 -0.66 -0.98 115.31 118.48 2cic h LEU 7 Ca 0.08 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2cic h LEU 7 Cb -0.01 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 2cic h LEU 7 CO -0.04 0.65 0.65 -0.33 0.09 0.00 0.00 178.44 179.46 2cic h GLU 8 N 0.83 1.25 -0.38 1.13 5.08 -0.59 -0.90 114.58 121.00 2cic h GLU 8 Ca 0.21 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 2cic h GLU 8 Cb 0.05 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 2cic h GLU 8 CO -0.03 0.82 -0.20 -0.91 -1.00 0.00 0.00 179.01 177.69 2cic h ASN 9 N 1.28 0.83 -0.67 1.42 4.21 -0.30 -1.04 115.58 121.31 2cic h ASN 9 Ca 0.38 -0.41 0.02 0.00 1.21 0.00 0.00 56.30 57.50 2cic h ASN 9 Cb -0.06 -0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 36.87 2cic h ASN 9 CO -0.10 1.06 0.43 0.24 -1.29 0.00 0.00 177.43 177.76 2cic h MET 10 N 0.60 0.83 -0.62 0.81 2.86 -0.75 -1.39 114.93 117.27 2cic h MET 10 Ca 0.08 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2cic h MET 10 Cb 0.75 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 2cic h MET 10 CO 0.06 0.55 0.41 -0.07 1.06 0.00 0.00 176.91 178.92 2cic h LEU 11 N 0.86 0.70 -0.43 1.22 3.38 -0.99 0.94 115.31 120.99 2cic h LEU 11 Ca 0.26 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2cic h LEU 11 Cb -0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2cic h LEU 11 CO -0.08 0.50 0.28 0.11 0.09 0.00 0.00 178.44 179.34 2cic h LYS 12 N 0.83 0.57 -0.65 1.13 1.57 -0.96 0.87 116.57 119.93 2cic h LYS 12 Ca 0.23 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.90 2cic h LYS 12 Cb -0.08 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 2cic h LYS 12 CO -0.06 0.40 0.12 -0.07 -0.57 0.00 0.00 179.45 179.27 2cic h LEU 13 N 0.58 1.02 -0.38 2.94 3.38 -0.92 -1.21 115.31 120.73 2cic h LEU 13 Ca 0.16 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2cic h LEU 13 Cb -0.04 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 2cic h LEU 13 CO -0.03 1.01 0.10 -0.61 0.09 0.00 0.00 178.44 179.00 2cic h GLN 14 N 0.99 0.61 -0.34 1.13 5.75 -0.46 -0.79 115.11 122.00 2cic h GLN 14 Ca 0.20 -0.14 0.06 0.00 -0.15 0.00 0.00 58.65 58.62 2cic h GLN 14 Cb 0.42 -0.08 -0.06 0.00 1.07 0.00 0.00 27.48 28.83 2cic h GLN 14 CO 0.01 0.63 -0.04 0.37 -2.65 0.00 0.00 178.83 177.15 2cic h GLN 15 N 0.47 0.05 -0.42 1.69 5.75 -0.62 -0.23 115.11 121.80 2cic h GLN 15 Ca 0.12 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 2cic h GLN 15 Cb 0.29 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 2cic h GLN 15 CO -0.00 0.03 0.18 -0.22 -2.65 0.00 0.00 178.83 176.17 2cic h LYS 16 N 0.05 0.61 -0.71 1.69 3.64 -1.10 -0.34 116.57 120.42 2cic h LYS 16 Ca 0.16 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2cic h LYS 16 Cb 0.24 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 2cic h LYS 16 CO -0.31 0.56 0.42 1.25 -2.27 0.00 0.00 179.45 179.10 2cic h LEU 17 N 0.53 0.85 -0.60 5.20 5.85 -0.96 -1.62 115.31 124.57 2cic h LEU 17 Ca 0.14 -0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.65 2cic h LEU 17 Cb 0.16 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2cic h LEU 17 CO -0.01 0.67 -0.46 0.78 -0.34 0.00 0.00 178.44 179.08 2cic h ASN 18 N 0.96 0.63 -0.58 1.25 4.21 -0.77 0.69 115.58 121.97 2cic h ASN 18 Ca 0.25 -0.30 -0.00 0.00 1.21 0.00 0.00 56.30 57.46 2cic h ASN 18 Cb -0.02 -0.18 -0.03 0.00 -1.12 0.00 0.00 38.32 36.97 2cic h ASN 18 CO -0.05 1.00 0.35 0.44 -1.29 0.00 0.00 177.43 177.88 2cic h ASP 19 N 0.47 0.70 -0.11 5.81 3.32 -0.85 0.17 116.42 125.93 2cic h ASP 19 Ca 0.03 -0.06 -0.16 0.00 0.02 0.00 0.00 57.03 56.86 2cic h ASP 19 Cb 0.98 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 2cic h ASP 19 CO 0.09 0.55 -0.51 -0.33 -1.72 0.00 0.00 179.24 177.32 2cic h GLU 20 N 0.79 0.69 -0.01 3.56 5.08 -0.98 0.35 114.58 124.05 2cic h GLU 20 Ca 0.21 -0.41 -0.16 0.00 -1.00 0.00 0.00 59.36 58.00 2cic h GLU 20 Cb -0.02 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.28 2cic h GLU 20 CO -0.04 1.03 -0.63 1.15 -1.00 0.00 0.00 179.01 179.52 2cic h THR 21 N 0.54 1.41 -0.00 1.13 2.02 -0.65 -3.38 112.91 113.97 2cic h THR 21 Ca 0.02 -2.07 0.00 0.00 0.77 0.00 0.00 66.41 65.13 2cic h THR 21 Cb 1.07 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 70.02 2cic h THR 21 CO 0.10 0.61 -0.31 0.59 0.37 0.00 0.00 175.52 176.88 2cic n ASN 22 N -4.19 0.80 -0.54 4.18 3.02 0.59 -4.91 115.26 114.21 2cic n ASN 22 Ca -0.10 -0.90 0.07 0.00 -0.03 0.00 0.00 54.58 53.61 2cic n ASN 22 Cb 0.68 0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 40.55 2cic n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cic n GLY 23 N 1.04 -2.76 3.74 7.41 0.00 0.11 -1.61 105.19 113.13 2cic n GLY 23 Ca 0.03 -1.31 -0.37 0.00 0.00 0.00 0.00 46.02 44.37 2cic n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cic s LEU 24 N -5.36 3.62 -1.43 0.99 1.43 -1.26 -2.76 118.68 113.91 2cic s LEU 24 Ca 0.00 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 55.62 2cic s LEU 24 Cb 0.00 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.62 2cic s LEU 24 CO 0.00 -1.81 0.00 0.59 0.23 0.00 0.00 176.35 175.36 2cic n ASN 25 N -1.74 -4.73 0.24 2.29 3.02 -1.26 -4.90 115.26 108.17 2cic n ASN 25 Ca 0.15 0.11 0.18 0.00 -0.03 0.00 0.00 54.58 54.99 2cic n ASN 25 Cb 0.49 -3.78 0.85 0.00 -0.61 0.00 0.00 39.78 36.72 2cic n ASN 25 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 2cic h TRP 26 N 0.00 0.00 -0.06 3.10 5.08 -1.73 -1.94 115.95 120.40 2cic h TRP 26 Ca -0.35 0.00 0.02 0.00 1.08 0.00 0.00 58.89 59.63 2cic h TRP 26 Cb 1.19 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.35 2cic h TRP 26 CO 0.42 0.00 0.14 0.93 -1.28 0.00 0.00 178.44 178.65 2cic h GLU 27 N 0.00 0.00 -0.00 0.12 3.07 -1.89 -0.59 114.58 115.29 2cic h GLU 27 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 2cic h GLU 27 Cb 0.65 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 2cic h GLU 27 CO -0.00 0.00 -0.11 0.09 -1.40 0.00 0.00 179.01 177.59 2cic n ASN 28 N -3.31 0.41 0.00 1.42 3.02 -0.73 -4.94 115.26 111.13 2cic n ASN 28 Ca -0.01 -0.49 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 2cic n ASN 28 Cb 0.22 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 2cic n ASN 28 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cic n GLY 29 N 1.29 1.20 3.02 7.41 0.00 -0.23 -5.08 105.19 112.81 2cic n GLY 29 Ca 0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 2cic n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cic s TYR 30 N -2.00 0.68 0.90 1.61 2.02 -1.25 -0.58 117.35 118.73 2cic s TYR 30 Ca 0.00 -0.21 -0.12 0.00 -0.37 0.00 0.00 57.07 56.37 2cic s TYR 30 Cb 0.00 -0.43 0.13 0.00 -0.40 0.00 0.00 41.96 41.26 2cic s TYR 30 CO 0.00 -0.02 1.12 0.95 -1.57 0.00 0.00 175.55 176.03 2cic s THR 31 N -0.46 2.28 0.41 -0.71 -4.23 -0.28 -4.43 115.64 108.21 2cic s THR 31 Ca 0.00 0.09 0.07 0.00 -1.18 0.00 0.00 61.69 60.67 2cic s THR 31 Cb -0.05 -2.80 0.26 0.00 1.34 0.00 0.00 72.50 71.26 2cic s THR 31 CO 0.00 -0.12 2.05 0.50 -0.54 0.00 0.00 174.62 176.52 2cic h LYS 32 N -1.46 0.52 -0.00 3.99 3.64 -1.64 -0.99 116.57 120.63 2cic h LYS 32 Ca -0.50 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 2cic h LYS 32 Cb 1.32 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2cic h LYS 32 CO 0.61 0.36 0.00 0.39 -2.27 0.00 0.00 179.45 178.53 2cic n GLU 33 N -4.47 1.01 -1.18 1.90 4.71 -1.26 -4.90 120.64 116.46 2cic n GLU 33 Ca 0.03 -0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 2cic n GLU 33 Cb 0.07 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.02 2cic n GLU 33 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2cic n GLY 34 N 0.98 0.68 3.79 0.62 0.00 -0.38 -5.06 105.19 105.81 2cic n GLY 34 Ca 0.23 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 2cic n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cic s LYS 35 N -2.51 4.18 0.20 1.61 -0.14 -1.26 -4.84 119.74 116.99 2cic s LYS 35 Ca 0.00 0.59 -0.30 0.00 -1.36 0.00 0.00 55.97 54.90 2cic s LYS 35 Cb 0.00 -3.30 -0.08 0.00 -1.68 0.00 0.00 37.83 32.77 2cic s LYS 35 CO 0.00 0.49 1.15 -1.17 -0.76 0.00 0.00 175.35 175.06 2cic s LEU 36 N -0.52 4.48 -0.23 3.17 2.96 -1.26 -1.13 118.68 126.15 2cic s LEU 36 Ca 0.27 2.20 -0.08 0.00 -0.22 0.00 0.00 54.13 56.30 2cic s LEU 36 Cb -0.17 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 2cic s LEU 36 CO 0.15 -0.28 0.10 -0.63 -1.32 0.00 0.00 176.35 174.37 2cic s ILE 37 N -0.34 4.80 -0.32 6.68 1.01 0.26 -4.93 121.20 128.36 2cic s ILE 37 Ca 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 61.14 2cic s ILE 37 Cb -0.32 -3.22 0.10 0.00 0.01 0.00 0.00 42.46 39.03 2cic s ILE 37 CO 0.37 0.37 0.09 -0.55 0.00 0.00 0.00 174.94 175.21 2cic s SER 38 N 1.14 4.20 0.40 3.58 0.15 -1.26 -4.88 113.70 117.03 2cic s SER 38 Ca 0.05 -1.75 0.13 0.00 0.70 0.00 0.00 55.95 55.07 2cic s SER 38 Cb -0.14 -1.04 0.83 0.00 -1.71 0.00 0.00 66.02 63.95 2cic s SER 38 CO 0.04 -0.41 1.90 -0.50 1.20 0.00 0.00 173.24 175.47 2cic h TRP 39 N 7.98 0.05 0.04 3.44 4.06 -1.96 -1.74 115.95 127.81 2cic h TRP 39 Ca -0.11 -0.01 0.02 0.00 2.06 0.00 0.00 58.89 60.85 2cic h TRP 39 Cb 1.02 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 29.13 2cic h TRP 39 CO 0.38 0.31 -0.19 0.00 -3.56 0.00 0.00 178.44 175.38 2cic h ARG 40 N 0.04 -0.32 -0.79 0.49 3.08 -1.94 0.29 114.38 115.23 2cic h ARG 40 Ca 0.01 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.09 2cic h ARG 40 Cb 0.49 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.57 2cic h ARG 40 CO 0.04 -0.21 0.52 -0.09 -1.07 0.00 0.00 179.97 179.15 2cic h ARG 41 N -0.33 1.01 -0.92 0.04 2.43 -1.75 -1.43 114.38 113.43 2cic h ARG 41 Ca 0.05 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 2cic h ARG 41 Cb 0.39 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 2cic h ARG 41 CO -0.15 0.67 0.59 0.00 -1.51 0.00 0.00 179.97 179.56 2cic h ILE 43 N 1.11 0.29 -0.07 0.00 2.04 -0.48 -0.76 117.51 119.64 2cic h ILE 43 Ca 0.38 -0.49 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 2cic h ILE 43 Cb 0.07 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2cic h ILE 43 CO -0.14 0.05 -0.17 0.10 0.00 0.00 0.00 178.15 177.99 2cic h TYR 44 N -1.04 0.12 -0.46 1.37 -0.00 -1.16 0.42 116.97 116.21 2cic h TYR 44 Ca -0.07 -0.01 -0.11 0.00 0.00 0.00 0.00 58.73 58.54 2cic h TYR 44 Cb 0.59 -0.03 -0.01 0.00 0.00 0.00 0.00 36.73 37.27 2cic h TYR 44 CO 0.01 0.28 -0.13 0.52 -0.00 0.00 0.00 178.16 178.85 2cic h MET 45 N 0.11 0.90 -0.24 0.10 2.86 -1.03 -1.84 114.93 115.78 2cic h MET 45 Ca 0.02 -0.35 -0.12 0.00 -2.06 0.00 0.00 59.70 57.19 2cic h MET 45 Cb 0.37 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 2cic h MET 45 CO 0.02 1.00 -0.36 1.49 1.06 0.00 0.00 176.91 180.12 2cic h GLU 46 N 0.74 0.54 -0.82 1.72 4.57 -0.43 -1.72 114.58 119.18 2cic h GLU 46 Ca 0.12 -0.26 0.07 0.00 -1.18 0.00 0.00 59.36 58.11 2cic h GLU 46 Cb 0.68 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.20 2cic h GLU 46 CO 0.05 0.83 0.50 0.00 -1.18 0.00 0.00 179.01 179.20 2cic h ALA 48 N 1.41 1.07 -0.65 0.00 0.00 -0.90 0.14 119.26 120.34 2cic h ALA 48 Ca 0.37 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2cic h ALA 48 Cb 0.22 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2cic h ALA 48 CO -0.19 0.67 0.40 0.93 0.00 0.00 0.00 179.25 181.05 2cic h GLU 49 N 1.17 0.88 -0.50 0.00 4.39 -0.59 -2.12 114.58 117.80 2cic h GLU 49 Ca 0.27 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.90 2cic h GLU 49 Cb 0.19 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2cic h GLU 49 CO -0.03 0.62 0.32 1.25 -1.16 0.00 0.00 179.01 180.01 2cic h LEU 50 N 0.88 0.58 -0.96 1.33 5.85 -0.52 -2.61 115.31 119.85 2cic h LEU 50 Ca 0.23 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 59.01 2cic h LEU 50 Cb -0.04 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 40.77 2cic h LEU 50 CO -0.05 0.45 0.61 0.40 -0.34 0.00 0.00 178.44 179.51 2cic h ILE 51 N 0.67 1.00 0.00 4.05 2.04 -0.48 -0.11 117.51 124.69 2cic h ILE 51 Ca 0.18 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2cic h ILE 51 Cb -0.05 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 35.91 2cic h ILE 51 CO -0.04 0.19 0.00 0.47 0.00 0.00 0.00 178.15 178.77 2cic n ASP 52 N -4.59 0.00 0.07 1.72 8.00 -0.85 -1.42 116.55 119.49 2cic n ASP 52 Ca 0.16 0.47 0.11 0.00 0.71 0.00 0.00 54.79 56.24 2cic n ASP 52 Cb 0.25 -0.47 0.45 0.00 -0.02 0.00 0.00 41.12 41.33 2cic n ASP 52 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2cic n SER 53 N -1.47 0.44 -4.67 -2.24 7.64 -0.05 -4.85 113.62 108.42 2cic n SER 53 Ca 0.01 0.58 -0.23 0.00 1.01 0.00 0.00 58.87 60.24 2cic n SER 53 Cb 0.03 -0.68 -0.07 0.00 -1.01 0.00 0.00 64.21 62.48 2cic n SER 53 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2cic s PHE 54 N -3.14 2.74 -1.60 1.43 0.08 -0.51 -4.51 117.98 112.48 2cic s PHE 54 Ca 0.08 -0.22 -0.10 0.00 0.12 0.00 0.00 56.93 56.81 2cic s PHE 54 Cb 0.11 -1.24 -0.07 0.00 -0.57 0.00 0.00 43.02 41.26 2cic s PHE 54 CO 0.43 0.60 2.90 -2.37 -0.10 0.00 0.00 175.22 176.67 2cic n THR 55 N -0.94 4.42 0.10 0.64 5.66 -1.26 -4.55 114.28 118.36 2cic n THR 55 Ca -0.06 -2.77 -0.02 0.00 -3.05 0.00 0.00 64.05 58.15 2cic n THR 55 Cb 0.59 -2.56 -0.02 0.00 -1.55 0.00 0.00 70.33 66.79 2cic n THR 55 CO 0.00 0.00 0.00 4.11 -3.05 0.00 0.00 175.07 176.13 2cic h TRP 56 N 4.97 0.00 -2.81 1.09 5.08 -1.94 -3.44 115.95 118.90 2cic h TRP 56 Ca 0.86 0.00 -0.56 0.00 1.08 0.00 0.00 58.89 60.27 2cic h TRP 56 Cb 0.29 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.42 2cic h TRP 56 CO 1.86 0.74 0.95 0.15 -1.28 0.00 0.00 178.44 180.86 2cic s LYS 57 N -2.91 4.23 0.00 0.12 1.02 -1.26 -4.88 119.74 116.06 2cic s LYS 57 Ca 0.02 1.91 0.23 0.00 0.02 0.00 0.00 55.97 58.15 2cic s LYS 57 Cb 0.09 -3.80 1.00 0.00 -0.52 0.00 0.00 37.83 34.60 2cic s LYS 57 CO 0.78 -0.72 1.73 -2.39 -0.92 0.00 0.00 175.35 173.82 2cic n HIS 58 N 6.52 0.00 0.02 3.18 1.44 -1.26 -3.73 115.22 121.39 2cic n HIS 58 Ca 0.15 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.86 2cic n HIS 58 Cb 0.44 -0.46 0.00 0.00 0.12 0.00 0.00 29.99 30.09 2cic n HIS 58 CO 0.00 0.00 0.00 -2.67 -2.81 0.00 0.00 176.34 170.86 2cic n TRP 59 N -1.46 0.00 -3.72 -1.40 2.14 -1.26 -4.97 117.44 106.78 2cic n TRP 59 Ca 0.06 -0.09 -0.14 0.00 2.07 0.00 0.00 57.50 59.41 2cic n TRP 59 Cb 0.25 -0.01 -0.14 0.00 -0.81 0.00 0.00 31.31 30.60 2cic n TRP 59 CO 0.00 0.00 0.00 0.21 2.07 0.00 0.00 177.69 179.97 2cic s LYS 60 N -0.22 0.11 -1.22 -2.67 2.20 -1.24 -4.95 119.74 111.74 2cic s LYS 60 Ca 0.01 0.48 -0.34 0.00 -0.36 0.00 0.00 55.97 55.76 2cic s LYS 60 Cb 0.01 -0.18 0.05 0.00 -1.51 0.00 0.00 37.83 36.20 2cic s LYS 60 CO 0.01 -0.21 0.67 -1.71 -0.36 0.00 0.00 175.35 173.75 2cic n ASN 61 N 4.55 -4.02 0.04 1.43 5.15 -1.26 -4.74 115.26 116.40 2cic n ASN 61 Ca -0.20 -1.30 0.13 0.00 -0.60 0.00 0.00 54.58 52.60 2cic n ASN 61 Cb 0.51 -1.69 0.51 0.00 -0.53 0.00 0.00 39.78 38.58 2cic n ASN 61 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 2cic n ILE 62 N -5.05 0.38 -3.91 -1.44 -5.35 -1.26 -4.05 119.36 98.68 2cic n ILE 62 Ca -0.11 -0.02 -0.34 0.00 -0.27 0.00 0.00 62.75 62.01 2cic n ILE 62 Cb 0.57 -0.65 -0.13 0.00 -1.74 0.00 0.00 39.64 37.68 2cic n ILE 62 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2cic s SER 63 N -3.50 4.98 -0.14 7.28 0.01 -1.26 -4.99 113.70 116.08 2cic s SER 63 Ca 0.11 -2.01 -0.12 0.00 1.31 0.00 0.00 55.95 55.24 2cic s SER 63 Cb 0.15 -1.72 0.04 0.00 0.21 0.00 0.00 66.02 64.70 2cic s SER 63 CO 0.50 -0.44 0.36 -0.55 0.41 0.00 0.00 173.24 173.52 2cic s SER 64 N 1.34 -0.38 0.40 2.44 0.15 -1.26 -5.15 113.70 111.24 2cic s SER 64 Ca 0.08 0.73 -0.10 0.00 0.70 0.00 0.00 55.95 57.36 2cic s SER 64 Cb -0.21 0.73 -0.06 0.00 -1.71 0.00 0.00 66.02 64.77 2cic s SER 64 CO -0.06 -0.13 0.77 -0.76 1.20 0.00 0.00 173.24 174.26 2cic s LEU 65 N 0.33 3.83 0.24 3.45 1.43 -1.26 -4.69 118.68 122.02 2cic s LEU 65 Ca -0.01 1.12 -0.30 0.00 -1.03 0.00 0.00 54.13 53.91 2cic s LEU 65 Cb -0.03 -4.00 -0.09 0.00 0.03 0.00 0.00 46.19 42.10 2cic s LEU 65 CO -0.01 -0.40 1.03 -0.89 0.23 0.00 0.00 176.35 176.31 2cic s THR 66 N -2.37 3.83 -0.60 5.49 2.01 -1.26 -5.00 115.64 117.75 2cic s THR 66 Ca 0.51 1.78 -0.19 0.00 0.31 0.00 0.00 61.69 64.11 2cic s THR 66 Cb -0.10 -4.14 0.10 0.00 0.01 0.00 0.00 72.50 68.37 2cic s THR 66 CO 0.31 0.40 0.71 0.21 -0.69 0.00 0.00 174.62 175.57 2cic s ASN 67 N -0.83 6.19 0.49 3.53 3.84 -1.26 -4.91 114.94 121.99 2cic s ASN 67 Ca 0.44 -1.44 0.28 0.00 0.21 0.00 0.00 52.86 52.35 2cic s ASN 67 Cb -0.29 -2.30 1.07 0.00 -0.55 0.00 0.00 41.25 39.18 2cic s ASN 67 CO 0.36 -1.12 1.88 -0.50 -2.79 0.00 0.00 177.10 174.93 2cic h TRP 68 N 9.18 0.00 -0.48 0.43 4.06 -1.96 -2.34 115.95 124.84 2cic h TRP 68 Ca -0.29 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.53 2cic h TRP 68 Cb 1.09 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.23 2cic h TRP 68 CO 0.84 0.11 -0.20 0.93 -3.56 0.00 0.00 178.44 176.56 2cic h GLU 69 N 0.00 0.98 -0.56 0.49 3.07 -1.97 -0.89 114.58 115.70 2cic h GLU 69 Ca -0.00 -0.41 -0.04 0.00 -0.50 0.00 0.00 59.36 58.41 2cic h GLU 69 Cb 0.67 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.51 2cic h GLU 69 CO 0.01 1.08 0.21 -0.91 -1.40 0.00 0.00 179.01 178.00 2cic h ASN 70 N 0.85 0.79 -0.96 1.42 4.21 -1.86 -2.37 115.58 117.66 2cic h ASN 70 Ca 0.11 -0.19 0.02 0.00 1.21 0.00 0.00 56.30 57.46 2cic h ASN 70 Cb 0.77 -0.21 -0.05 0.00 -1.12 0.00 0.00 38.32 37.71 2cic h ASN 70 CO 0.06 0.77 0.63 0.58 -1.29 0.00 0.00 177.43 178.18 2cic h VAL 71 N 0.78 1.20 -0.48 2.81 2.07 -1.25 -1.86 116.25 119.51 2cic h VAL 71 Ca 0.19 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 2cic h VAL 71 Cb 0.23 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 2cic h VAL 71 CO -0.01 0.23 0.21 0.03 0.02 0.00 0.00 177.57 178.04 2cic h ARG 72 N 1.25 0.71 -0.67 1.57 3.08 -0.73 -0.80 114.38 118.81 2cic h ARG 72 Ca 0.37 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 60.25 2cic h ARG 72 Cb -0.07 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 2cic h ARG 72 CO -0.10 0.62 0.22 0.97 -1.07 0.00 0.00 179.97 180.61 2cic h ILE 73 N 0.64 1.24 -0.73 2.04 6.09 -1.19 -1.90 117.51 123.70 2cic h ILE 73 Ca 0.16 -0.83 -0.03 0.00 -1.37 0.00 0.00 64.86 62.79 2cic h ILE 73 Cb 0.17 0.50 -0.03 0.00 0.47 0.00 0.00 36.82 37.93 2cic h ILE 73 CO -0.02 0.32 0.33 -0.33 -3.07 0.00 0.00 178.15 175.39 2cic h GLU 74 N 0.98 1.07 -0.58 2.19 4.39 -0.75 0.33 114.58 122.21 2cic h GLU 74 Ca 0.22 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2cic h GLU 74 Cb 0.27 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 2cic h GLU 74 CO -0.01 0.85 0.30 0.82 -1.16 0.00 0.00 179.01 179.81 2cic h ILE 75 N 1.03 1.18 -0.51 3.13 1.08 -0.83 -1.00 117.51 121.59 2cic h ILE 75 Ca 0.25 -0.48 -0.10 0.00 -0.39 0.00 0.00 64.86 64.13 2cic h ILE 75 Cb 0.16 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.31 2cic h ILE 75 CO -0.03 0.21 -0.08 0.58 -0.69 0.00 0.00 178.15 178.14 2cic h VAL 76 N 0.81 1.27 -0.28 1.67 2.07 -0.65 -2.00 116.25 119.13 2cic h VAL 76 Ca 0.20 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.54 2cic h VAL 76 Cb 0.05 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2cic h VAL 76 CO -0.03 0.42 0.10 0.44 0.02 0.00 0.00 177.57 178.52 2cic h ASP 77 N 0.82 0.12 -0.85 0.57 3.32 0.36 -1.26 116.42 119.49 2cic h ASP 77 Ca 0.14 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.26 2cic h ASP 77 Cb 0.63 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.13 2cic h ASP 77 CO 0.04 0.10 0.54 0.40 -1.72 0.00 0.00 179.24 178.60 2cic h ILE 78 N 0.23 1.08 -0.75 0.35 2.04 -1.11 -2.29 117.51 117.05 2cic h ILE 78 Ca 0.12 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 2cic h ILE 78 Cb 0.08 -0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.11 2cic h ILE 78 CO -0.12 0.18 0.40 -0.25 0.00 0.00 0.00 178.15 178.36 2cic h TRP 79 N 1.00 1.04 -0.74 1.37 -0.00 -0.81 0.11 115.95 117.93 2cic h TRP 79 Ca 0.36 -0.03 0.13 0.00 -0.00 0.00 0.00 58.89 59.35 2cic h TRP 79 Cb 0.11 -0.33 -0.09 0.00 -0.00 0.00 0.00 29.16 28.85 2cic h TRP 79 CO -0.03 0.74 0.31 0.45 -0.00 0.00 0.00 178.44 179.91 2cic h HIS 80 N 1.04 0.54 -0.04 2.65 3.86 -0.67 0.57 115.15 123.10 2cic h HIS 80 Ca 0.26 0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.33 2cic h HIS 80 Cb 0.06 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 2cic h HIS 80 CO 0.00 0.10 -0.75 0.74 0.86 0.00 0.00 177.93 178.88 2cic h PHE 81 N 0.48 0.33 -0.36 2.45 0.04 -1.04 -1.59 116.94 117.25 2cic h PHE 81 Ca 0.40 -0.16 -0.11 0.00 2.80 0.00 0.00 57.97 60.91 2cic h PHE 81 Cb 0.57 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 2cic h PHE 81 CO -0.15 0.90 -0.19 0.82 -0.60 0.00 0.00 178.31 179.09 2cic h ILE 82 N 0.16 1.28 -0.61 -0.55 2.04 -0.27 -1.51 117.51 118.06 2cic h ILE 82 Ca -0.03 -1.31 0.07 0.00 1.00 0.00 0.00 64.86 64.59 2cic h ILE 82 Cb 1.32 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 38.69 2cic h ILE 82 CO 0.12 0.43 0.28 -0.07 0.00 0.00 0.00 178.15 178.91 2cic h LEU 83 N 0.56 0.35 -0.48 1.44 3.38 -0.85 -0.85 115.31 118.86 2cic h LEU 83 Ca 0.08 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2cic h LEU 83 Cb 0.73 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2cic h LEU 83 CO 0.06 0.22 0.32 0.28 0.09 0.00 0.00 178.44 179.40 2cic h SER 84 N 0.51 0.56 -0.58 -0.43 0.02 -1.07 -0.11 113.55 112.43 2cic h SER 84 Ca 0.29 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.25 2cic h SER 84 Cb 0.28 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 2cic h SER 84 CO -0.24 0.41 0.34 0.25 -1.14 0.00 0.00 176.83 176.45 2cic h LEU 85 N 0.65 0.55 -0.36 5.07 5.85 -0.63 -0.18 115.31 126.26 2cic h LEU 85 Ca 0.18 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 2cic h LEU 85 Cb -0.07 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 2cic h LEU 85 CO -0.04 0.38 0.22 -0.07 -0.34 0.00 0.00 178.44 178.58 2cic h LEU 86 N 0.67 0.44 -0.53 2.25 3.38 -0.76 -0.38 115.31 120.39 2cic h LEU 86 Ca 0.24 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.17 2cic h LEU 86 Cb 0.06 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2cic h LEU 86 CO -0.12 0.37 0.33 -0.07 0.09 0.00 0.00 178.44 179.04 2cic h LEU 87 N 0.47 0.56 -0.62 1.67 3.38 -0.70 -0.90 115.31 119.18 2cic h LEU 87 Ca 0.13 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2cic h LEU 87 Cb 0.01 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2cic h LEU 87 CO -0.02 0.40 0.31 -0.08 0.09 0.00 0.00 178.44 179.14 2cic h GLU 88 N 0.68 0.89 -0.60 1.13 4.81 -0.82 -2.88 114.58 117.78 2cic h GLU 88 Ca 0.20 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2cic h GLU 88 Cb -0.04 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 2cic h GLU 88 CO -0.07 0.70 0.14 1.49 -0.73 0.00 0.00 179.01 180.55 2cic h GLU 89 N 0.85 0.94 0.00 1.92 4.57 -0.67 -3.50 114.58 118.68 2cic h GLU 89 Ca 0.22 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2cic h GLU 89 Cb 0.10 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2cic h GLU 89 CO -0.03 0.84 0.00 0.98 -1.18 0.00 0.00 179.01 179.62 2cic n TYR 90 N -4.25 0.00 -2.46 0.92 -0.00 -0.38 -5.10 117.16 105.89 2cic n TYR 90 Ca 0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.90 2cic n TYR 90 Cb 0.24 -0.21 0.01 0.00 -0.00 0.00 0.00 39.34 39.38 2cic n TYR 90 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 2cic n ASP 97 N -0.50 -6.34 -0.01 2.98 -0.08 -1.26 -4.81 116.55 106.53 2cic n ASP 97 Ca 0.00 0.51 -0.02 0.00 -1.51 0.00 0.00 54.79 53.77 2cic n ASP 97 Cb 0.00 -4.19 0.24 0.00 2.34 0.00 0.00 41.12 39.51 2cic n ASP 97 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2cic h PHE 98 N 1.59 0.58 -0.90 -0.67 0.04 -2.00 -2.06 116.94 113.53 2cic h PHE 98 Ca 0.00 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.68 2cic h PHE 98 Cb 0.59 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.54 2cic h PHE 98 CO 0.06 0.63 0.54 -0.22 -0.60 0.00 0.00 178.31 178.72 2cic h LYS 99 N 0.51 1.22 -0.37 1.51 3.64 -1.96 0.72 116.57 121.85 2cic h LYS 99 Ca 0.10 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2cic h LYS 99 Cb 0.48 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2cic h LYS 99 CO 0.03 0.85 0.20 0.00 -2.27 0.00 0.00 179.45 178.26 2cic h ALA 100 N 1.35 0.47 -0.23 5.00 0.00 -1.82 0.73 119.26 124.77 2cic h ALA 100 Ca 0.32 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2cic h ALA 100 Cb -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2cic h ALA 100 CO -0.06 -0.00 -0.05 0.82 0.00 0.00 0.00 179.25 179.95 2cic h ILE 101 N 0.47 1.28 -0.52 0.00 2.04 -1.21 -2.39 117.51 117.18 2cic h ILE 101 Ca 0.13 -1.05 0.06 0.00 1.00 0.00 0.00 64.86 65.00 2cic h ILE 101 Cb 0.06 1.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 2cic h ILE 101 CO -0.02 0.32 0.23 0.00 0.00 0.00 0.00 178.15 178.68 2cic h ALA 102 N 0.75 0.66 -1.01 1.87 0.00 -0.61 -1.51 119.26 119.40 2cic h ALA 102 Ca 0.06 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.11 2cic h ALA 102 Cb 0.51 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 2cic h ALA 102 CO 0.02 -0.15 0.64 1.15 0.00 0.00 0.00 179.25 180.92 2cic h THR 103 N 0.44 0.99 -0.46 0.00 2.02 -0.72 0.10 112.91 115.27 2cic h THR 103 Ca 0.24 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.98 2cic h THR 103 Cb 0.21 -0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.42 2cic h THR 103 CO -0.21 0.20 -0.02 -0.33 0.37 0.00 0.00 175.52 175.53 2cic h GLU 104 N 1.07 0.82 -0.23 6.66 4.39 -0.88 -2.43 114.58 123.98 2cic h GLU 104 Ca 0.47 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 2cic h GLU 104 Cb 0.36 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2cic h GLU 104 CO -0.23 0.88 0.10 0.28 -1.16 0.00 0.00 179.01 178.89 2cic h VAL 105 N 0.67 1.15 -0.26 3.13 2.07 -0.76 -2.74 116.25 119.51 2cic h VAL 105 Ca 0.13 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.28 2cic h VAL 105 Cb 0.52 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2cic h VAL 105 CO 0.03 0.15 0.22 -1.13 0.02 0.00 0.00 177.57 176.85 2cic h ASN 106 N 0.24 0.00 0.60 0.57 -1.24 -0.71 -1.56 115.58 113.48 2cic h ASN 106 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.09 2cic h ASN 106 Cb 0.14 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.19 2cic h ASN 106 CO -0.01 0.00 -0.09 0.00 -1.29 0.00 0.00 177.43 176.04 2cic n ALA 107 N -2.47 2.65 -2.14 1.57 0.00 -0.92 -4.69 120.51 114.50 2cic n ALA 107 Ca 0.03 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 2cic n ALA 107 Cb 0.37 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 2cic n ALA 107 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2cic s VAL 108 N -2.69 3.22 0.21 0.00 1.01 -0.59 -4.92 120.40 116.65 2cic s VAL 108 Ca 0.23 0.87 -0.09 0.00 0.00 0.00 0.00 61.98 62.99 2cic s VAL 108 Cb 0.20 -3.56 0.16 0.00 0.00 0.00 0.00 36.38 33.18 2cic s VAL 108 CO 0.51 0.06 1.85 0.28 0.00 0.00 0.00 175.10 177.80 2cic h SER 109 N 6.86 0.75 0.59 3.32 0.02 -1.89 -0.96 113.55 122.24 2cic h SER 109 Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 2cic h SER 109 Cb 1.21 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2cic h SER 109 CO 0.87 0.51 0.00 0.58 -1.14 0.00 0.00 176.83 177.65 2cic h VAL 110 N 0.89 0.00 -0.73 2.27 2.07 -1.92 -3.15 116.25 115.67 2cic h VAL 110 Ca 0.30 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 2cic h VAL 110 Cb 0.05 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 2cic h VAL 110 CO -0.12 0.00 0.44 0.15 0.02 0.00 0.00 177.57 178.06 2cic h PHE 111 N 0.00 0.96 -0.90 1.57 3.57 -1.49 -0.92 116.94 119.73 2cic h PHE 111 Ca 0.00 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 2cic h PHE 111 Cb 0.30 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 2cic h PHE 111 CO 0.00 0.64 0.58 1.96 -2.23 0.00 0.00 178.31 179.26 2cic h GLN 112 N 1.01 1.11 -0.22 1.11 1.08 -1.70 -1.46 115.11 116.03 2cic h GLN 112 Ca 0.26 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.34 2cic h GLN 112 Cb -0.04 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.13 2cic h GLN 112 CO -0.05 0.73 -0.11 -0.44 -0.95 0.00 0.00 178.83 178.01 2cic h ASP 113 N 1.14 0.33 0.65 1.46 3.32 -1.40 -2.54 116.42 119.39 2cic h ASP 113 Ca 0.35 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.33 2cic h ASP 113 Cb -0.01 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2cic h ASP 113 CO -0.11 0.48 0.00 0.33 -1.72 0.00 0.00 179.24 178.22 2cic n PHE 114 N -4.25 0.68 1.10 4.55 7.35 -0.48 -2.77 117.46 123.64 2cic n PHE 114 Ca 0.00 0.27 0.12 0.00 -0.76 0.00 0.00 57.45 57.08 2cic n PHE 114 Cb 0.28 -0.94 0.15 0.00 0.35 0.00 0.00 39.48 39.32 2cic n PHE 114 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2cic s LYS 116 N -2.33 0.52 0.51 0.00 1.02 -1.11 -4.74 119.74 113.61 2cic s LYS 116 Ca 0.24 -0.30 -0.23 0.00 0.02 0.00 0.00 55.97 55.70 2cic s LYS 116 Cb 0.19 -1.82 -0.06 0.00 -0.52 0.00 0.00 37.83 35.62 2cic s LYS 116 CO 0.48 -2.51 1.37 -1.91 -0.92 0.00 0.00 175.35 171.86 2cic n GLU 117 N -3.86 1.87 -2.14 1.68 2.13 -1.26 -4.77 120.64 114.29 2cic n GLU 117 Ca 0.14 0.68 -0.29 0.00 0.66 0.00 0.00 57.16 58.34 2cic n GLU 117 Cb 0.60 -2.58 0.01 0.00 0.27 0.00 0.00 31.44 29.74 2cic n GLU 117 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2cic s GLU 118 N -2.72 3.41 0.17 5.31 1.03 -1.26 -5.01 118.70 119.63 2cic s GLU 118 Ca 0.68 0.48 0.03 0.00 0.03 0.00 0.00 54.97 56.19 2cic s GLU 118 Cb -0.43 -2.17 -0.03 0.00 -0.80 0.00 0.00 34.13 30.69 2cic s GLU 118 CO 0.52 -0.55 0.29 -1.21 -1.33 0.00 0.00 175.26 172.99 2cic s GLU 119 N -5.06 3.43 -0.39 -4.83 2.02 -1.26 -5.07 118.70 107.53 2cic s GLU 119 Ca 0.53 -0.63 -0.01 0.00 0.02 0.00 0.00 54.97 54.88 2cic s GLU 119 Cb -0.11 -2.95 0.11 0.00 0.10 0.00 0.00 34.13 31.28 2cic s GLU 119 CO 0.50 0.50 0.17 0.71 0.02 0.00 0.00 175.26 177.17 2cic s TYR 120 N -1.78 3.63 0.68 1.61 1.51 -1.26 -4.18 117.35 117.55 2cic s TYR 120 Ca 0.34 -2.54 -0.11 0.00 -1.01 0.00 0.00 57.07 53.76 2cic s TYR 120 Cb -0.11 -3.16 -0.00 0.00 -0.11 0.00 0.00 41.96 38.58 2cic s TYR 120 CO 0.28 -0.97 1.06 -1.25 -1.11 0.00 0.00 175.55 173.57 2cic s PRO 121 N 1.09 3.08 0.23 -1.71 0.04 -1.26 -5.06 135.00 131.41 2cic s PRO 121 Ca 0.09 0.75 0.03 0.00 0.04 0.00 0.00 61.00 61.91 2cic s PRO 121 Cb -0.22 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.29 2cic s PRO 121 CO -0.05 -0.94 0.12 0.27 0.04 0.00 0.00 177.00 176.44 2cic n ASN 122 N -3.00 0.50 0.28 6.66 0.23 -1.26 -5.04 115.26 113.63 2cic n ASN 122 Ca 0.07 -2.33 0.15 0.00 -0.53 0.00 0.00 54.58 51.93 2cic n ASN 122 Cb 0.55 0.79 0.83 0.00 -2.08 0.00 0.00 39.78 39.86 2cic n ASN 122 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2cic h GLU 123 N 0.00 0.00 -0.01 -3.83 4.39 -1.99 -1.43 114.58 111.71 2cic h GLU 123 Ca -0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.53 2cic h GLU 123 Cb 0.74 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.39 2cic h GLU 123 CO 0.27 0.07 0.06 0.78 -1.16 0.00 0.00 179.01 179.03 2cic h GLY 124 N 0.67 0.00 0.01 -3.84 0.00 -2.02 -3.08 103.07 94.81 2cic h GLY 124 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2cic h GLY 124 CO 0.01 0.00 -0.65 1.22 0.00 0.00 0.00 176.54 177.12 2cic n ASP 125 N -3.19 1.15 -0.02 0.19 8.00 -0.54 -4.58 116.55 117.56 2cic n ASP 125 Ca -0.03 -0.95 -0.11 0.00 0.71 0.00 0.00 54.79 54.42 2cic n ASP 125 Cb 0.13 0.58 -0.05 0.00 -0.02 0.00 0.00 41.12 41.75 2cic n ASP 125 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2cic h ILE 126 N 0.78 1.09 -0.05 0.53 2.04 -1.68 -1.35 117.51 118.87 2cic h ILE 126 Ca 0.00 -0.26 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 2cic h ILE 126 Cb 0.56 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 2cic h ILE 126 CO 0.00 0.08 -0.40 1.88 0.00 0.00 0.00 178.15 179.72 2cic h TYR 127 N 0.09 0.12 -0.46 1.37 0.05 -1.85 0.02 116.97 116.32 2cic h TYR 127 Ca 0.04 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 2cic h TYR 127 Cb 0.08 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 2cic h TYR 127 CO -0.04 0.49 0.22 0.78 -1.05 0.00 0.00 178.16 178.56 2cic h GLY 128 N 1.22 0.71 0.91 3.88 0.00 -1.83 -0.74 103.07 107.22 2cic h GLY 128 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2cic h GLY 128 CO 0.06 0.33 -0.07 -2.22 0.00 0.00 0.00 176.54 174.64 2cic h ILE 129 N 0.60 0.85 -0.95 2.60 2.04 -0.73 -2.12 117.51 119.79 2cic h ILE 129 Ca 0.16 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.09 2cic h ILE 129 Cb 0.12 0.85 -0.07 0.00 -0.74 0.00 0.00 36.82 36.98 2cic h ILE 129 CO -0.02 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 178.68 2cic h LEU 130 N -0.15 0.95 -0.57 1.44 3.38 -0.79 -0.48 115.31 119.09 2cic h LEU 130 Ca 0.00 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2cic h LEU 130 Cb 0.15 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2cic h LEU 130 CO -0.02 0.59 0.18 -1.13 0.09 0.00 0.00 178.44 178.15 2cic h ASN 131 N 1.06 0.83 -0.71 -0.43 -0.73 -0.89 -1.16 115.58 113.55 2cic h ASN 131 Ca 0.42 -0.21 -0.06 0.00 1.87 0.00 0.00 56.30 58.33 2cic h ASN 131 Cb 0.25 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.60 2cic h ASN 131 CO -0.17 0.81 0.22 0.44 -0.37 0.00 0.00 177.43 178.35 2cic h ASP 132 N 0.80 1.05 -0.62 1.15 5.19 -0.65 -0.91 116.42 122.44 2cic h ASP 132 Ca 0.18 -0.20 -0.06 0.00 -0.62 0.00 0.00 57.03 56.33 2cic h ASP 132 Cb 0.28 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 39.49 2cic h ASP 132 CO -0.01 0.98 0.16 0.40 -3.12 0.00 0.00 179.24 177.65 2cic h ILE 133 N 1.08 1.25 -0.66 0.35 2.04 -0.90 -2.38 117.51 118.28 2cic h ILE 133 Ca 0.23 -0.92 -0.06 0.00 1.00 0.00 0.00 64.86 65.11 2cic h ILE 133 Cb 0.31 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2cic h ILE 133 CO -0.01 0.35 0.17 -0.08 0.00 0.00 0.00 178.15 178.58 2cic h GLU 134 N 0.97 1.06 -0.80 2.37 4.81 -0.75 0.02 114.58 122.26 2cic h GLU 134 Ca 0.21 -0.25 0.12 0.00 -0.13 0.00 0.00 59.36 59.31 2cic h GLU 134 Cb 0.34 -0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.50 2cic h GLU 134 CO 0.00 0.94 0.40 -0.07 -0.73 0.00 0.00 179.01 179.56 2cic h LEU 135 N 0.98 0.50 -0.37 1.64 -0.00 -0.75 -0.26 115.31 117.07 2cic h LEU 135 Ca 0.21 0.08 -0.09 0.00 -0.00 0.00 0.00 57.88 58.08 2cic h LEU 135 Cb 0.35 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.00 2cic h LEU 135 CO 0.00 0.25 -0.13 0.40 -0.00 0.00 0.00 178.44 178.96 2cic h ILE 136 N 0.62 1.28 -0.47 1.22 2.04 -0.81 -1.15 117.51 120.24 2cic h ILE 136 Ca 0.42 -1.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 2cic h ILE 136 Cb 0.53 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 2cic h ILE 136 CO -0.32 0.40 0.29 0.40 0.00 0.00 0.00 178.15 178.92 2cic h ILE 137 N 0.53 1.14 -0.27 -0.67 2.04 -0.68 -0.05 117.51 119.55 2cic h ILE 137 Ca 0.09 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 2cic h ILE 137 Cb 0.65 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2cic h ILE 137 CO 0.04 0.14 0.12 -0.74 0.00 0.00 0.00 178.15 177.72 2cic h HIS 138 N 0.63 0.40 0.04 1.37 2.76 -0.95 -1.46 115.15 117.94 2cic h HIS 138 Ca 0.17 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2cic h HIS 138 Cb -0.02 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 28.82 2cic h HIS 138 CO -0.03 0.39 -0.02 -0.22 -1.30 0.00 0.00 177.93 176.74 2cic h LYS 139 N 0.30 -0.05 0.00 5.26 3.64 -0.77 -3.04 116.57 121.91 2cic h LYS 139 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2cic h LYS 139 Cb 0.14 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2cic h LYS 139 CO -0.01 0.08 0.00 0.00 -2.27 0.00 0.00 179.45 177.25 2cic n SER 141 N -2.96 0.31 -2.27 0.00 3.41 -0.56 -4.67 113.62 106.89 2cic n SER 141 Ca 0.03 -0.16 -0.02 0.00 -0.26 0.00 0.00 58.87 58.45 2cic n SER 141 Cb 0.40 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 2cic n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cic n GLY 142 N 1.39 2.15 3.25 5.00 0.00 -0.95 -5.08 105.19 110.95 2cic n GLY 142 Ca 0.10 -2.15 -0.26 0.00 0.00 0.00 0.00 46.02 43.72 2cic n GLY 142 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cic s PHE 143 N 0.49 1.85 0.00 1.61 0.08 -1.26 -4.79 117.98 115.97 2cic s PHE 143 Ca 0.05 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 56.73 2cic s PHE 143 Cb -0.00 -1.12 0.00 0.00 -0.57 0.00 0.00 43.02 41.33 2cic s PHE 143 CO 0.03 0.07 0.00 0.41 -0.10 0.00 0.00 175.22 175.63 2cic n GLY 144 N 1.97 0.39 3.80 4.36 0.00 -1.26 -5.03 105.19 109.41 2cic n GLY 144 Ca -0.17 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 2cic n GLY 144 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2cic s PHE 145 N -2.00 2.73 -0.18 1.61 -0.71 -1.26 -5.02 117.98 113.14 2cic s PHE 145 Ca 0.00 1.07 -0.14 0.00 -1.04 0.00 0.00 56.93 56.82 2cic s PHE 145 Cb 0.00 -3.20 -0.04 0.00 -1.21 0.00 0.00 43.02 38.57 2cic s PHE 145 CO 0.00 -1.96 0.31 1.21 -1.34 0.00 0.00 175.22 173.44 2cic s ASN 146 N -3.92 6.40 0.34 1.98 3.84 -1.26 -4.97 114.94 117.35 2cic s ASN 146 Ca 0.62 0.47 0.05 0.00 0.21 0.00 0.00 52.86 54.20 2cic s ASN 146 Cb -0.15 -2.19 0.63 0.00 -0.55 0.00 0.00 41.25 38.99 2cic s ASN 146 CO 0.54 0.04 1.87 -0.07 -2.79 0.00 0.00 177.10 176.70 2cic h LEU 147 N 7.06 0.44 -0.49 3.21 4.07 -1.99 -1.35 115.31 126.26 2cic h LEU 147 Ca -0.39 -0.09 -0.08 0.00 0.08 0.00 0.00 57.88 57.40 2cic h LEU 147 Cb 1.16 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.77 2cic h LEU 147 CO 0.73 0.54 -0.02 1.23 -1.08 0.00 0.00 178.44 179.85 2cic h GLY 148 N 0.82 0.94 0.96 0.83 0.00 -1.99 -0.52 103.07 104.12 2cic h GLY 148 Ca 0.09 -0.71 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 2cic h GLY 148 CO 0.01 0.65 0.18 0.83 0.00 0.00 0.00 176.54 178.22 2cic h GLU 149 N 0.73 0.67 -0.38 4.80 5.08 -1.89 -0.01 114.58 123.58 2cic h GLU 149 Ca 0.14 -0.12 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 2cic h GLU 149 Cb 0.54 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.61 2cic h GLU 149 CO 0.03 0.61 -0.02 1.25 -1.00 0.00 0.00 179.01 179.88 2cic h LEU 150 N 0.59 -0.21 -0.26 1.33 5.85 -0.88 -1.98 115.31 119.74 2cic h LEU 150 Ca 0.15 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 2cic h LEU 150 Cb 0.19 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2cic h LEU 150 CO -0.01 -0.07 0.13 -0.07 -0.34 0.00 0.00 178.44 178.09 2cic h LEU 151 N 0.08 0.34 -0.37 2.25 3.38 -0.83 0.15 115.31 120.30 2cic h LEU 151 Ca 0.19 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.13 2cic h LEU 151 Cb 0.27 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 2cic h LEU 151 CO -0.34 0.35 -0.16 0.28 0.09 0.00 0.00 178.44 178.66 2cic h SER 152 N 0.30 -0.55 -0.62 -0.43 0.02 -0.80 0.03 113.55 111.50 2cic h SER 152 Ca 0.09 0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 61.15 2cic h SER 152 Cb 0.10 0.31 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 2cic h SER 152 CO -0.01 -0.20 0.26 0.74 -1.14 0.00 0.00 176.83 176.48 2cic h THR 153 N -0.09 1.23 -0.14 -2.27 2.02 -1.07 -1.59 112.91 110.99 2cic h THR 153 Ca 0.18 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2cic h THR 153 Cb 0.38 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2cic h THR 153 CO -0.43 0.27 0.09 0.22 0.37 0.00 0.00 175.52 176.04 2cic h TYR 154 N 0.85 0.18 -0.61 3.16 3.20 -0.43 -0.90 116.97 122.42 2cic h TYR 154 Ca 0.21 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 2cic h TYR 154 Cb 0.18 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 2cic h TYR 154 CO 0.01 0.12 0.12 0.74 -1.64 0.00 0.00 178.16 177.51 2cic h PHE 155 N 0.18 1.03 -0.28 -3.82 0.04 -0.76 0.55 116.94 113.88 2cic h PHE 155 Ca 0.05 -0.12 0.04 0.00 2.80 0.00 0.00 57.97 60.74 2cic h PHE 155 Cb -0.01 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 37.81 2cic h PHE 155 CO -0.07 0.86 0.04 1.15 -0.60 0.00 0.00 178.31 179.70 2cic h THR 156 N 0.93 0.86 -0.35 -1.55 2.02 -1.06 -0.16 112.91 113.58 2cic h THR 156 Ca 0.19 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.36 2cic h THR 156 Cb 0.37 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 2cic h THR 156 CO 0.01 0.03 0.14 0.25 0.37 0.00 0.00 175.52 176.31 2cic h LEU 157 N 0.14 0.18 -0.84 2.58 5.85 -0.76 -1.80 115.31 120.66 2cic h LEU 157 Ca 0.13 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2cic h LEU 157 Cb 0.14 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 2cic h LEU 157 CO -0.18 0.14 0.52 0.00 -0.34 0.00 0.00 178.44 178.59 2cic h ALA 158 N 1.21 1.07 -0.47 1.25 0.00 -0.51 -0.36 119.26 121.44 2cic h ALA 158 Ca 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2cic h ALA 158 Cb 0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2cic h ALA 158 CO -0.14 0.51 0.24 0.82 0.00 0.00 0.00 179.25 180.68 2cic h ILE 159 N 1.14 1.18 -0.77 0.00 2.04 -0.87 -1.56 117.51 118.67 2cic h ILE 159 Ca 0.30 -0.47 0.03 0.00 1.00 0.00 0.00 64.86 65.73 2cic h ILE 159 Cb -0.08 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 2cic h ILE 159 CO -0.06 0.19 0.51 0.11 0.00 0.00 0.00 178.15 178.90 2cic h LYS 160 N 0.61 0.92 -0.03 2.37 1.57 -0.51 -1.53 116.57 119.97 2cic h LYS 160 Ca 0.16 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2cic h LYS 160 Cb 0.08 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.19 2cic h LYS 160 CO -0.02 0.61 0.00 0.00 -0.57 0.00 0.00 179.45 179.46 2cic n GLY 162 N 1.01 0.76 3.95 0.00 0.00 -0.57 -4.81 105.19 105.52 2cic n GLY 162 Ca 0.19 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 2cic n GLY 162 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cic s LEU 163 N 0.00 4.24 0.00 0.99 1.02 -0.64 -4.54 118.68 119.76 2cic s LEU 163 Ca 0.00 0.02 0.06 0.00 0.02 0.00 0.00 54.13 54.23 2cic s LEU 163 Cb 0.00 -2.78 -0.02 0.00 0.02 0.00 0.00 46.19 43.41 2cic s LEU 163 CO 0.00 -0.07 0.22 -0.46 0.02 0.00 0.00 176.35 176.06 2cic n ASN 164 N -1.38 -0.38 -0.32 2.29 0.23 -1.26 -4.13 115.26 110.32 2cic n ASN 164 Ca -0.09 -2.77 -0.02 0.00 -0.53 0.00 0.00 54.58 51.17 2cic n ASN 164 Cb 0.57 1.29 0.10 0.00 -2.08 0.00 0.00 39.78 39.67 2cic n ASN 164 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 2cic h LEU 165 N 0.00 0.94 -0.36 -4.53 5.85 -1.47 -1.08 115.31 114.67 2cic h LEU 165 Ca -0.20 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.53 2cic h LEU 165 Cb 0.97 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 2cic h LEU 165 CO 0.29 0.66 0.20 -0.08 -0.34 0.00 0.00 178.44 179.17 2cic h GLU 166 N 1.11 0.39 -0.39 1.25 4.81 -1.91 -0.12 114.58 119.73 2cic h GLU 166 Ca 0.33 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.46 2cic h GLU 166 Cb -0.04 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2cic h GLU 166 CO -0.10 0.26 -0.06 0.82 -0.73 0.00 0.00 179.01 179.19 2cic h ILE 167 N 0.40 1.27 -0.41 2.32 2.04 -1.90 -2.29 117.51 118.95 2cic h ILE 167 Ca 0.15 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.88 2cic h ILE 167 Cb 0.03 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 2cic h ILE 167 CO -0.08 0.38 0.27 0.25 0.00 0.00 0.00 178.15 178.96 2cic h LEU 168 N 0.54 0.47 -0.19 1.44 5.85 -0.96 -1.95 115.31 120.51 2cic h LEU 168 Ca 0.10 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2cic h LEU 168 Cb 0.57 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2cic h LEU 168 CO 0.03 0.35 -0.01 0.22 -0.34 0.00 0.00 178.44 178.69 2cic h TYR 169 N 0.55 0.37 -0.30 1.25 3.20 -0.92 0.15 116.97 121.26 2cic h TYR 169 Ca 0.15 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 61.97 2cic h TYR 169 Cb -0.06 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 2cic h TYR 169 CO -0.05 0.55 0.16 -0.22 -1.64 0.00 0.00 178.16 176.97 2cic h LYS 170 N 0.08 0.32 -0.18 1.82 3.64 -1.33 -0.89 116.57 120.03 2cic h LYS 170 Ca 0.05 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.25 2cic h LYS 170 Cb 0.41 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2cic h LYS 170 CO 0.01 0.21 -0.57 1.15 -2.27 0.00 0.00 179.45 177.99 2cic h THR 171 N 0.33 1.32 0.00 1.00 2.02 -1.25 -2.80 112.91 113.54 2cic h THR 171 Ca 0.12 -1.83 -0.00 0.00 0.77 0.00 0.00 66.41 65.47 2cic h THR 171 Cb 0.02 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 2cic h THR 171 CO -0.07 0.57 -0.00 0.22 0.37 0.00 0.00 175.52 176.60 2cic h TYR 172 N 0.42 -0.00 -0.55 3.16 3.20 -0.46 -1.32 116.97 121.41 2cic h TYR 172 Ca 0.00 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.97 2cic h TYR 172 Cb 1.12 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 39.31 2cic h TYR 172 CO 0.05 0.02 0.11 0.82 -1.64 0.00 0.00 178.16 177.52 2cic h ILE 173 N -0.02 0.68 -0.32 1.81 2.04 -1.08 0.11 117.51 120.72 2cic h ILE 173 Ca -0.00 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 2cic h ILE 173 Cb 0.02 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 2cic h ILE 173 CO 0.00 0.04 0.14 1.23 0.00 0.00 0.00 178.15 179.57 2cic h GLY 174 N 0.24 0.51 1.66 5.37 0.00 -1.21 -1.99 103.07 107.66 2cic h GLY 174 Ca 0.28 -0.27 -0.12 0.00 0.00 0.00 0.00 47.33 47.23 2cic h GLY 174 CO -0.37 0.25 -0.39 1.70 0.00 0.00 0.00 176.54 177.73 2cic h LYS 175 N 0.38 0.38 -0.47 4.80 1.63 -0.93 -2.21 116.57 120.14 2cic h LYS 175 Ca 0.11 -0.18 0.03 0.00 -0.85 0.00 0.00 60.65 59.76 2cic h LYS 175 Cb 0.16 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.75 2cic h LYS 175 CO -0.01 0.72 0.26 -0.97 -3.45 0.00 0.00 179.45 175.99 2cic h ASN 176 N 0.32 0.39 -0.23 4.20 -0.73 -0.52 0.15 115.58 119.16 2cic h ASN 176 Ca 0.03 0.02 0.05 0.00 1.87 0.00 0.00 56.30 58.27 2cic h ASN 176 Cb 0.84 -0.06 -0.05 0.00 0.27 0.00 0.00 38.32 39.31 2cic h ASN 176 CO 0.07 0.28 -0.10 0.58 -0.37 0.00 0.00 177.43 177.88 2cic h VAL 177 N 0.51 0.66 -0.89 2.57 2.07 -0.93 -1.49 116.25 118.76 2cic h VAL 177 Ca 0.20 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.73 2cic h VAL 177 Cb 0.07 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 2cic h VAL 177 CO -0.12 0.00 0.59 0.25 0.02 0.00 0.00 177.57 178.31 2cic h LEU 178 N -0.07 1.02 -0.67 2.57 5.85 -0.86 0.85 115.31 124.00 2cic h LEU 178 Ca 0.12 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 2cic h LEU 178 Cb 0.26 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2cic h LEU 178 CO -0.28 0.74 0.25 0.78 -0.34 0.00 0.00 178.44 179.59 2cic h ASN 179 N 1.20 0.93 -0.34 1.25 2.35 -0.19 -0.32 115.58 120.47 2cic h ASN 179 Ca 0.33 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 2cic h ASN 179 Cb -0.13 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 37.98 2cic h ASN 179 CO -0.07 0.86 0.13 0.40 -1.65 0.00 0.00 177.43 177.10 2cic h ILE 180 N 0.95 1.19 -0.37 2.81 1.08 -0.89 -2.53 117.51 119.74 2cic h ILE 180 Ca 0.22 -0.59 0.06 0.00 -0.39 0.00 0.00 64.86 64.16 2cic h ILE 180 Cb 0.23 0.94 -0.05 0.00 -3.07 0.00 0.00 36.82 34.86 2cic h ILE 180 CO -0.02 0.21 0.04 0.15 -0.69 0.00 0.00 178.15 177.84 2cic h PHE 181 N 0.41 0.06 -0.36 1.37 3.57 -0.53 -1.88 116.94 119.58 2cic h PHE 181 Ca 0.11 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.68 2cic h PHE 181 Cb 0.20 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 2cic h PHE 181 CO -0.00 -0.02 0.13 0.00 -2.23 0.00 0.00 178.31 176.19 2cic h ARG 182 N 0.15 0.28 -0.08 1.11 3.08 -0.94 -2.04 114.38 115.94 2cic h ARG 182 Ca 0.18 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2cic h ARG 182 Cb 0.23 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 2cic h ARG 182 CO -0.27 0.18 0.05 1.96 -1.07 0.00 0.00 179.97 180.83 2cic h GLN 183 N 0.29 0.09 -0.00 0.04 1.08 -0.98 -1.55 115.11 114.07 2cic h GLN 183 Ca 0.16 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 2cic h GLN 183 Cb 0.13 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2cic h GLN 183 CO -0.16 0.06 -0.08 0.09 -0.95 0.00 0.00 178.83 177.78 2cic n ASN 184 N -4.53 0.30 -1.14 1.46 3.02 -0.76 -4.09 115.26 109.52 2cic n ASN 184 Ca -0.02 -0.39 0.05 0.00 -0.03 0.00 0.00 54.58 54.19 2cic n ASN 184 Cb 0.09 -0.14 0.10 0.00 -0.61 0.00 0.00 39.78 39.21 2cic n ASN 184 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2cic n ASN 185 N -1.10 1.30 0.00 6.41 3.02 -0.62 -5.00 115.26 119.27 2cic n ASN 185 Ca 0.14 -2.78 0.00 0.00 -0.03 0.00 0.00 54.58 51.91 2cic n ASN 185 Cb 0.27 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 2cic n ASN 185 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cic n GLY 186 N -0.16 0.96 0.26 7.41 0.00 -1.17 -3.40 105.19 109.09 2cic n GLY 186 Ca 0.11 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 2cic n GLY 186 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2cic h TYR 187 N 0.00 0.97 -0.33 1.61 3.20 -1.70 -1.80 116.97 118.93 2cic h TYR 187 Ca 0.00 -0.19 -0.08 0.00 3.14 0.00 0.00 58.73 61.59 2cic h TYR 187 Cb 0.40 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2cic h TYR 187 CO 0.00 0.94 -0.11 0.87 -1.64 0.00 0.00 178.16 178.22 2cic h LYS 188 N 0.72 0.66 -0.00 1.82 1.57 -1.88 -3.10 116.57 116.36 2cic h LYS 188 Ca 0.12 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2cic h LYS 188 Cb 0.60 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2cic h LYS 188 CO 0.04 0.85 -0.04 -0.40 -0.57 0.00 0.00 179.45 179.32 2cic n ASP 189 N -4.40 0.31 0.00 0.86 5.68 -1.20 -4.91 116.55 112.89 2cic n ASP 189 Ca -0.02 -0.67 0.00 0.00 -0.50 0.00 0.00 54.79 53.60 2cic n ASP 189 Cb 0.36 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 2cic n ASP 189 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2cic n GLY 190 N 1.19 0.63 0.11 6.12 0.00 -0.76 -4.93 105.19 107.55 2cic n GLY 190 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 2cic n GLY 190 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2cic h SER 191 N 0.00 0.00 -2.94 1.61 4.64 -1.64 -3.47 113.55 111.74 2cic h SER 191 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 2cic h SER 191 Cb 0.00 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.21 2cic h SER 191 CO 0.00 0.57 0.26 0.00 -0.87 0.00 0.00 176.83 176.79 2cic n TYR 192 N -3.05 1.55 -3.89 4.77 9.36 -0.86 -4.98 117.16 120.07 2cic n TYR 192 Ca -0.04 0.61 -0.35 0.00 3.32 0.00 0.00 57.90 61.43 2cic n TYR 192 Cb 0.80 -2.29 -0.13 0.00 -0.63 0.00 0.00 39.34 37.09 2cic n TYR 192 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2cic s LYS 193 N -1.82 3.49 0.27 2.98 -0.14 -1.26 -4.98 119.74 118.27 2cic s LYS 193 Ca 0.59 -0.57 0.18 0.00 -1.36 0.00 0.00 55.97 54.81 2cic s LYS 193 Cb -0.61 -3.11 0.08 0.00 -1.68 0.00 0.00 37.83 32.51 2cic s LYS 193 CO 0.60 -0.17 1.33 0.87 -0.76 0.00 0.00 175.35 177.21 2cic h LYS 194 N 8.07 0.00 -5.11 1.68 1.57 -1.97 -3.44 116.57 117.38 2cic h LYS 194 Ca -0.40 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.73 2cic h LYS 194 Cb 1.17 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.21 2cic h LYS 194 CO 0.60 0.31 -0.72 0.99 -0.57 0.00 0.00 179.45 180.05 2cic s THR 195 N -3.04 3.37 -0.36 -0.16 2.01 -1.26 -0.52 115.64 115.67 2cic s THR 195 Ca 0.03 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 61.50 2cic s THR 195 Cb 0.07 -2.50 0.09 0.00 0.01 0.00 0.00 72.50 70.17 2cic s THR 195 CO 0.75 0.46 0.12 0.26 -0.69 0.00 0.00 174.62 175.51 2cic s TRP 196 N 1.08 3.48 -1.33 4.92 0.51 0.09 -4.64 118.94 123.05 2cic s TRP 196 Ca 0.01 -2.25 -0.09 0.00 -2.12 0.00 0.00 56.10 51.64 2cic s TRP 196 Cb -0.15 -2.78 0.00 0.00 -0.81 0.00 0.00 33.47 29.74 2cic s TRP 196 CO -0.01 -0.90 0.50 0.09 -0.51 0.00 0.00 176.95 176.12 2cic n ASN 197 N 4.58 -1.90 0.00 2.95 3.02 -1.26 -1.88 115.26 120.77 2cic n ASN 197 Ca -0.06 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 2cic n ASN 197 Cb 0.42 -2.83 0.00 0.00 -0.61 0.00 0.00 39.78 36.76 2cic n ASN 197 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cic n GLY 198 N -1.98 2.12 3.49 7.41 0.00 -1.26 -5.00 105.19 109.96 2cic n GLY 198 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 2cic n GLY 198 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cic s LYS 199 N -0.01 3.65 0.49 1.61 1.02 -0.79 -5.08 119.74 120.63 2cic s LYS 199 Ca 0.00 -0.53 -0.23 0.00 0.02 0.00 0.00 55.97 55.23 2cic s LYS 199 Cb 0.00 -2.90 -0.06 0.00 -0.52 0.00 0.00 37.83 34.34 2cic s LYS 199 CO 0.00 0.23 1.26 -1.21 -0.92 0.00 0.00 175.35 174.70 2cic s GLU 200 N 0.40 3.51 0.35 1.68 2.02 -1.26 -0.73 118.70 124.67 2cic s GLU 200 Ca -0.04 2.00 0.11 0.00 0.02 0.00 0.00 54.97 57.05 2cic s GLU 200 Cb -0.14 -2.37 0.89 0.00 0.10 0.00 0.00 34.13 32.61 2cic s GLU 200 CO 0.03 -0.82 1.80 0.38 0.02 0.00 0.00 175.26 176.67 2cic h ASP 201 N 1.84 0.63 -0.37 -0.19 2.03 -1.17 0.12 116.42 119.30 2cic h ASP 201 Ca -0.50 0.08 -0.01 0.00 -0.73 0.00 0.00 57.03 55.87 2cic h ASP 201 Cb 1.27 -0.04 -0.02 0.00 -0.83 0.00 0.00 39.33 39.71 2cic h ASP 201 CO 0.59 0.22 0.21 0.78 -1.03 0.00 0.00 179.24 180.02 2cic h ASN 202 N 0.61 0.48 0.34 4.15 2.35 -1.90 -0.45 115.58 121.15 2cic h ASN 202 Ca 0.55 -0.03 -0.23 0.00 -0.55 0.00 0.00 56.30 56.03 2cic h ASN 202 Cb 1.05 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.31 2cic h ASN 202 CO -0.30 0.39 -0.97 -0.08 -1.65 0.00 0.00 177.43 174.82 2cic h GLU 203 N 0.55 0.42 -0.35 0.81 4.57 -1.15 -1.06 114.58 118.37 2cic h GLU 203 Ca 0.14 -0.46 0.03 0.00 -1.18 0.00 0.00 59.36 57.89 2cic h GLU 203 Cb 0.02 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 2cic h GLU 203 CO -0.02 1.13 0.16 0.28 -1.18 0.00 0.00 179.01 179.38 2cic h VAL 204 N 0.23 0.96 -0.17 0.32 2.07 -0.84 -1.34 116.25 117.48 2cic h VAL 204 Ca -0.09 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.36 2cic h VAL 204 Cb 1.61 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 2cic h VAL 204 CO 0.17 0.06 -0.12 0.25 0.02 0.00 0.00 177.57 177.95 2cic h LEU 205 N 0.34 -0.38 -0.78 2.57 5.85 -1.02 -1.57 115.31 120.31 2cic h LEU 205 Ca 0.15 0.08 0.11 0.00 0.84 0.00 0.00 57.88 59.07 2cic h LEU 205 Cb 0.08 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 2cic h LEU 205 CO -0.12 -0.16 0.40 0.00 -0.34 0.00 0.00 178.44 178.22 2cic h ALA 206 N 1.00 1.12 -0.36 1.25 0.00 -0.93 0.13 119.26 121.49 2cic h ALA 206 Ca 0.10 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2cic h ALA 206 Cb 0.27 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2cic h ALA 206 CO -0.24 -0.05 0.23 1.96 0.00 0.00 0.00 179.25 181.15 2cic h GLN 207 N 0.63 0.47 -0.99 0.00 4.20 -0.95 -2.96 115.11 115.51 2cic h GLN 207 Ca 0.40 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 59.09 2cic h GLN 207 Cb 0.48 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.11 2cic h GLN 207 CO -0.31 0.32 0.66 0.82 -0.67 0.00 0.00 178.83 179.65 2cic h ILE 208 N 0.48 1.24 0.00 2.54 2.04 -0.10 -2.27 117.51 121.44 2cic h ILE 208 Ca 0.13 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2cic h ILE 208 Cb -0.05 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 35.83 2cic h ILE 208 CO -0.03 0.24 0.00 0.18 0.00 0.00 0.00 178.15 178.54 2cic n LEU 209 N -4.39 0.00 0.13 1.44 4.77 0.31 -1.85 117.00 117.41 2cic n LEU 209 Ca 0.12 0.26 0.12 0.00 -0.03 0.00 0.00 56.01 56.48 2cic n LEU 209 Cb 0.03 -0.26 0.49 0.00 -2.33 0.00 0.00 43.42 41.35 2cic n LEU 209 CO 0.37 -0.15 0.86 -0.62 -1.33 0.00 0.00 177.39 176.52 2cic n GLU 210 N -1.26 0.20 -2.43 3.23 1.02 -0.86 -4.31 120.64 116.24 2cic n GLU 210 Ca 0.07 0.42 -0.19 0.00 -0.02 0.00 0.00 57.16 57.44 2cic n GLU 210 Cb 0.10 -1.88 0.02 0.00 -0.02 0.00 0.00 31.44 29.66 2cic n GLU 210 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2cic n GLN 211 N -2.26 2.82 -3.81 3.49 10.64 -0.77 -5.06 117.38 122.42 2cic n GLN 211 Ca 0.02 -4.03 -0.28 0.00 -1.83 0.00 0.00 57.00 50.88 2cic n GLN 211 Cb 0.24 -1.98 0.01 0.00 -0.86 0.00 0.00 30.24 27.65 2cic n GLN 211 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2cic n GLU 212 N -0.48 -2.63 -4.21 2.61 2.13 -1.26 -4.98 120.64 111.82 2cic n GLU 212 Ca 0.30 0.45 -0.24 0.00 0.66 0.00 0.00 57.16 58.33 2cic n GLU 212 Cb 0.80 -4.42 -0.06 0.00 0.27 0.00 0.00 31.44 28.02 2cic n GLU 212 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2cic s LEU 213 N -6.73 3.43 0.65 4.31 1.43 -1.26 -5.13 118.68 115.39 2cic s LEU 213 Ca 0.20 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.79 2cic s LEU 213 Cb -0.07 -2.00 0.03 0.00 0.03 0.00 0.00 46.19 44.18 2cic s LEU 213 CO 0.87 0.02 0.97 1.51 0.23 0.00 0.00 176.35 179.95 2cic s ASP 214 N -3.49 5.22 0.18 2.29 -4.77 -1.26 -4.86 116.67 109.98 2cic s ASP 214 Ca 0.31 0.64 -0.22 0.00 -3.30 0.00 0.00 52.55 49.98 2cic s ASP 214 Cb -0.08 -1.46 0.10 0.00 -1.09 0.00 0.00 42.92 40.40 2cic s ASP 214 CO 0.21 -1.34 1.58 0.15 0.70 0.00 0.00 175.17 176.47 2cic h PHE 215 N -0.42 -1.07 -0.14 2.11 3.04 -2.00 -0.12 116.94 118.34 2cic h PHE 215 Ca -0.45 0.08 -0.12 0.00 3.98 0.00 0.00 57.97 61.46 2cic h PHE 215 Cb 1.28 0.56 -0.01 0.00 2.56 0.00 0.00 35.95 40.34 2cic h PHE 215 CO 0.41 -0.40 -0.43 -0.44 -2.02 0.00 0.00 178.31 175.44 2cic h ASP 216 N -0.17 0.35 -0.07 0.41 3.32 -2.00 -1.52 116.42 116.75 2cic h ASP 216 Ca 0.23 -0.15 -0.20 0.00 0.02 0.00 0.00 57.03 56.92 2cic h ASP 216 Cb 0.56 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2cic h ASP 216 CO -0.72 0.74 -0.70 0.74 -1.72 0.00 0.00 179.24 177.57 2cic h THR 217 N 0.27 1.30 -0.44 0.35 2.02 -1.71 -2.30 112.91 112.41 2cic h THR 217 Ca 0.02 -1.95 0.03 0.00 0.77 0.00 0.00 66.41 65.29 2cic h THR 217 Cb 0.87 1.92 -0.04 0.00 -1.74 0.00 0.00 68.15 69.16 2cic h THR 217 CO 0.07 0.61 0.23 0.40 0.37 0.00 0.00 175.52 177.20 2cic h ILE 218 N 0.50 0.98 -0.55 3.11 2.04 -0.65 -2.02 117.51 120.92 2cic h ILE 218 Ca -0.03 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.72 2cic h ILE 218 Cb 1.31 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 2cic h ILE 218 CO 0.14 0.08 0.29 0.22 0.00 0.00 0.00 178.15 178.88 2cic h TYR 219 N 0.46 0.53 -0.99 1.37 5.03 -1.18 -0.96 116.97 121.23 2cic h TYR 219 Ca 0.19 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.54 2cic h TYR 219 Cb 0.08 -0.16 -0.05 0.00 1.55 0.00 0.00 36.73 38.15 2cic h TYR 219 CO -0.10 0.26 0.65 0.87 -1.32 0.00 0.00 178.16 178.53 2cic h LYS 220 N 0.56 1.27 -0.37 1.82 1.57 -0.98 -0.29 116.57 120.14 2cic h LYS 220 Ca 0.24 -0.08 -0.15 0.00 -1.87 0.00 0.00 60.65 58.79 2cic h LYS 220 Cb 0.13 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2cic h LYS 220 CO -0.16 0.84 -0.36 0.87 -0.57 0.00 0.00 179.45 180.07 2cic h LYS 221 N 1.30 0.91 -0.31 3.15 1.57 -0.82 -1.24 116.57 121.13 2cic h LYS 221 Ca 0.37 -0.47 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2cic h LYS 221 Cb -0.09 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2cic h LYS 221 CO -0.09 1.13 0.14 -0.07 -0.57 0.00 0.00 179.45 179.98 2cic h LEU 222 N 0.72 0.42 -0.68 2.94 3.38 -0.75 -1.79 115.31 119.55 2cic h LEU 222 Ca 0.06 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 57.94 2cic h LEU 222 Cb 0.95 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 2cic h LEU 222 CO 0.09 0.45 0.39 -0.08 0.09 0.00 0.00 178.44 179.38 2cic h GLU 223 N 0.36 0.69 -0.67 1.13 4.57 -0.84 0.97 114.58 120.78 2cic h GLU 223 Ca 0.10 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 2cic h GLU 223 Cb 0.15 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 2cic h GLU 223 CO -0.01 0.46 0.27 1.49 -1.18 0.00 0.00 179.01 180.04 2cic h GLU 224 N 0.72 1.01 -0.31 1.92 4.81 -0.98 -1.85 114.58 119.89 2cic h GLU 224 Ca 0.30 -0.18 -0.17 0.00 -0.13 0.00 0.00 59.36 59.18 2cic h GLU 224 Cb 0.17 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 2cic h GLU 224 CO -0.18 0.84 -0.46 0.00 -0.73 0.00 0.00 179.01 178.49 2cic h TYR 226 N 0.63 0.87 0.00 0.00 3.20 -0.59 -1.80 116.97 119.28 2cic h TYR 226 Ca 0.03 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2cic h TYR 226 Cb 1.06 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.04 2cic h TYR 226 CO 0.07 0.60 0.00 0.87 -1.64 0.00 0.00 178.16 178.06 2cic h LYS 227 N 0.90 0.00 -0.00 1.82 1.57 -1.37 -0.66 116.57 118.83 2cic h LYS 227 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2cic h LYS 227 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2cic h LYS 227 CO -0.04 0.00 -0.31 1.63 -0.57 0.00 0.00 179.45 180.16 2cic n LYS 228 N -2.91 0.33 0.00 3.15 5.02 -0.68 -5.13 118.16 117.94 2cic n LYS 228 Ca -0.03 -0.17 0.13 0.00 -2.02 0.00 0.00 58.31 56.23 2cic n LYS 228 Cb 0.07 -1.50 0.77 0.00 -0.02 0.00 0.00 35.03 34.36 2cic n LYS 228 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88