#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3itc s THR 2 N 0.00 1.95 0.27 3.17 -4.23 -1.26 -4.83 115.64 110.71 3itc s THR 2 Ca 0.00 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.55 3itc s THR 2 Cb 0.00 -2.62 0.02 0.00 1.34 0.00 0.00 72.50 71.24 3itc s THR 2 CO 0.00 0.00 1.66 0.77 -0.54 0.00 0.00 174.62 176.51 3itc h SER 3 N -1.84 0.35 -0.66 3.99 4.64 -1.98 -0.77 113.55 117.28 3itc h SER 3 Ca -0.51 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 60.61 3itc h SER 3 Cb 1.32 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 3itc h SER 3 CO 0.55 0.73 0.25 0.25 -0.87 0.00 0.00 176.83 177.75 3itc h LEU 4 N 0.28 0.94 -0.22 5.97 5.85 -1.89 0.20 115.31 126.45 3itc h LEU 4 Ca 0.02 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 3itc h LEU 4 Cb 0.85 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 3itc h LEU 4 CO 0.07 0.86 -0.15 -0.33 -0.34 0.00 0.00 178.44 178.55 3itc h GLU 5 N 1.00 0.48 -0.38 1.25 5.08 -1.87 -0.33 114.58 119.81 3itc h GLU 5 Ca 0.23 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3itc h GLU 5 Cb 0.23 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3itc h GLU 5 CO -0.02 0.79 0.08 -0.22 -1.00 0.00 0.00 179.01 178.65 3itc h LYS 6 N 0.18 0.62 -0.69 2.33 1.63 -0.93 -2.01 116.57 117.70 3itc h LYS 6 Ca 0.04 -0.16 0.07 0.00 -0.85 0.00 0.00 60.65 59.76 3itc h LYS 6 Cb 0.67 -0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 32.16 3itc h LYS 6 CO 0.04 0.66 0.37 0.00 -3.45 0.00 0.00 179.45 177.07 3itc h ALA 7 N 0.93 0.93 -0.75 5.00 0.00 -0.31 -0.31 119.26 124.75 3itc h ALA 7 Ca 0.12 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3itc h ALA 7 Cb 0.33 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3itc h ALA 7 CO 0.00 0.02 0.31 -0.09 0.00 0.00 0.00 179.25 179.50 3itc h ARG 8 N 0.66 1.11 -0.54 0.00 9.65 -0.80 -0.96 114.38 123.51 3itc h ARG 8 Ca 0.32 -0.19 -0.11 0.00 -1.10 0.00 0.00 59.98 58.91 3itc h ARG 8 Cb 0.25 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 3itc h ARG 8 CO -0.21 0.89 -0.09 1.49 2.80 0.00 0.00 179.97 184.85 3itc h GLU 9 N 1.09 0.99 -0.83 0.20 4.81 -0.52 -1.67 114.58 118.65 3itc h GLU 9 Ca 0.25 -0.35 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 3itc h GLU 9 Cb 0.19 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 3itc h GLU 9 CO -0.02 1.02 0.38 -0.07 -0.73 0.00 0.00 179.01 179.59 3itc h LEU 10 N 0.89 1.10 -1.13 1.64 3.38 -0.75 -2.66 115.31 117.77 3itc h LEU 10 Ca 0.14 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3itc h LEU 10 Cb 0.64 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3itc h LEU 10 CO 0.04 0.94 -0.16 -0.07 0.09 0.00 0.00 178.44 179.28 3itc h LEU 11 N 1.19 0.00 -1.11 1.67 3.38 -0.88 -1.02 115.31 118.54 3itc h LEU 11 Ca 0.28 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 3itc h LEU 11 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3itc h LEU 11 CO -0.03 0.16 -0.44 0.03 0.09 0.00 0.00 178.44 178.25 3itc h ARG 12 N 0.00 0.00 0.15 1.13 3.08 -0.94 -2.73 114.38 115.06 3itc h ARG 12 Ca -0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.69 3itc h ARG 12 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 3itc h ARG 12 CO 0.02 0.44 -1.86 1.49 -1.07 0.00 0.00 179.97 178.99 3itc h GLU 13 N 0.00 0.32 -2.71 0.04 4.57 -1.38 -3.43 114.58 111.99 3itc h GLU 13 Ca -0.00 -0.54 -0.60 0.00 -1.18 0.00 0.00 59.36 57.04 3itc h GLU 13 Cb 0.80 0.20 -0.39 0.00 -0.16 0.00 0.00 28.75 29.19 3itc h GLU 13 CO 0.06 1.26 -0.82 -0.06 -1.18 0.00 0.00 179.01 178.27 3itc s PHE 14 N -2.56 1.51 0.97 0.92 0.40 -0.44 -5.13 117.98 113.65 3itc s PHE 14 Ca -0.20 -2.24 -0.14 0.00 -0.60 0.00 0.00 56.93 53.75 3itc s PHE 14 Cb 0.06 -1.41 0.18 0.00 0.51 0.00 0.00 43.02 42.35 3itc s PHE 14 CO 0.80 -0.79 1.19 -1.25 0.70 0.00 0.00 175.22 175.87 3itc s PRO 15 N 0.33 0.65 0.11 0.24 0.04 -1.03 -4.30 135.00 131.04 3itc s PRO 15 Ca 0.22 0.02 -0.30 0.00 0.04 0.00 0.00 61.00 60.98 3itc s PRO 15 Cb -0.15 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 3itc s PRO 15 CO -0.06 -2.48 1.08 0.08 0.04 0.00 0.00 177.00 175.66 3itc s VAL 16 N -3.42 4.19 -0.53 -0.36 1.01 0.56 -3.26 120.40 118.59 3itc s VAL 16 Ca 0.68 1.73 -0.18 0.00 0.00 0.00 0.00 61.98 64.21 3itc s VAL 16 Cb -0.11 -4.11 0.08 0.00 0.00 0.00 0.00 36.38 32.24 3itc s VAL 16 CO 0.53 0.23 0.60 -0.69 0.00 0.00 0.00 175.10 175.77 3itc s VAL 17 N 0.33 4.94 -0.08 2.92 1.01 0.25 -0.25 120.40 129.53 3itc s VAL 17 Ca 0.52 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 61.51 3itc s VAL 17 Cb -0.27 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.74 3itc s VAL 17 CO 0.31 -0.86 0.53 -0.62 0.00 0.00 0.00 175.10 174.47 3itc s ASP 18 N 2.98 6.80 0.02 3.32 2.15 -0.18 -4.34 116.67 127.43 3itc s ASP 18 Ca 0.11 0.96 0.27 0.00 0.43 0.00 0.00 52.55 54.32 3itc s ASP 18 Cb -0.22 -2.32 0.82 0.00 -0.30 0.00 0.00 42.92 40.90 3itc s ASP 18 CO 0.09 0.02 1.65 0.61 -0.17 0.00 0.00 175.17 177.37 3itc n GLY 19 N 2.98 -1.39 3.17 2.66 0.00 -0.08 -1.48 105.19 111.05 3itc n GLY 19 Ca -0.06 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 45.78 3itc n GLY 19 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3itc s HIS 20 N -3.02 -1.24 -0.06 1.61 5.65 -1.25 -4.64 115.29 112.35 3itc s HIS 20 Ca 0.12 1.35 0.02 0.00 0.25 0.00 0.00 55.06 56.80 3itc s HIS 20 Cb 0.18 0.45 0.02 0.00 -1.18 0.00 0.00 32.58 32.04 3itc s HIS 20 CO 0.62 -0.67 -0.10 1.21 -0.65 0.00 0.00 174.74 175.15 3itc s ASN 21 N 2.88 1.52 -0.30 9.88 3.84 -1.02 -1.63 114.94 130.11 3itc s ASN 21 Ca 0.13 -0.25 0.07 0.00 0.21 0.00 0.00 52.86 53.02 3itc s ASN 21 Cb -0.13 -0.70 0.64 0.00 -0.55 0.00 0.00 41.25 40.50 3itc s ASN 21 CO -0.18 0.01 1.69 0.47 -2.79 0.00 0.00 177.10 176.30 3itc n ASP 22 N 3.85 4.32 -0.29 -4.21 10.43 0.42 -1.05 116.55 130.02 3itc n ASP 22 Ca -0.23 -3.11 0.12 0.00 2.57 0.00 0.00 54.79 54.14 3itc n ASP 22 Cb 0.52 -0.73 0.28 0.00 1.84 0.00 0.00 41.12 43.02 3itc n ASP 22 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3itc h LEU 23 N 2.14 0.13 -0.42 0.64 5.85 -1.78 -1.25 115.31 120.62 3itc h LEU 23 Ca 0.29 0.17 0.05 0.00 0.84 0.00 0.00 57.88 59.23 3itc h LEU 23 Cb 2.22 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 43.41 3itc h LEU 23 CO 0.70 -0.08 0.18 -0.65 -0.34 0.00 0.00 178.44 178.25 3itc h PRO 24 N 0.29 0.35 -0.84 5.25 0.11 -1.82 0.52 132.00 135.86 3itc h PRO 24 Ca 0.53 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.59 3itc h PRO 24 Cb 1.03 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.02 3itc h PRO 24 CO -0.58 0.23 0.39 2.35 -0.21 0.00 0.00 178.00 180.18 3itc h TRP 25 N 0.36 1.23 -0.72 0.65 2.91 -1.58 -1.10 115.95 117.70 3itc h TRP 25 Ca 0.19 -0.07 -0.04 0.00 1.13 0.00 0.00 58.89 60.10 3itc h TRP 25 Cb 0.15 -0.38 -0.03 0.00 -0.51 0.00 0.00 29.16 28.39 3itc h TRP 25 CO -0.13 0.90 0.28 0.00 -1.03 0.00 0.00 178.44 178.46 3itc h ALA 26 N 1.21 1.13 -0.54 2.65 0.00 -0.43 -0.37 119.26 122.92 3itc h ALA 26 Ca 0.29 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3itc h ALA 26 Cb 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3itc h ALA 26 CO -0.03 0.62 0.03 -0.07 0.00 0.00 0.00 179.25 179.80 3itc h LEU 27 N 1.04 0.86 -0.07 0.00 3.38 -0.43 0.17 115.31 120.26 3itc h LEU 27 Ca 0.24 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3itc h LEU 27 Cb 0.21 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3itc h LEU 27 CO -0.02 0.90 0.01 -0.09 0.09 0.00 0.00 178.44 179.33 3itc h ARG 28 N 0.83 0.03 -0.05 1.13 2.43 -0.76 -1.62 114.38 116.38 3itc h ARG 28 Ca 0.16 -0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.09 3itc h ARG 28 Cb 0.45 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 30.01 3itc h ARG 28 CO 0.02 0.02 -0.91 0.93 -1.51 0.00 0.00 179.97 178.52 3itc h GLU 29 N 0.03 0.70 0.07 0.20 4.39 -0.87 -1.28 114.58 117.82 3itc h GLU 29 Ca 0.03 -0.69 -0.22 0.00 0.34 0.00 0.00 59.36 58.82 3itc h GLU 29 Cb 0.03 0.18 0.02 0.00 -0.10 0.00 0.00 28.75 28.88 3itc h GLU 29 CO -0.05 1.28 -0.91 1.96 -1.16 0.00 0.00 179.01 180.13 3itc h GLN 30 N 0.38 0.50 0.00 2.33 4.20 -0.70 -3.40 115.11 118.42 3itc h GLN 30 Ca -0.10 -0.63 0.00 0.00 0.06 0.00 0.00 58.65 57.99 3itc h GLN 30 Cb 1.56 0.20 0.00 0.00 0.30 0.00 0.00 27.48 29.54 3itc h GLN 30 CO 0.18 1.25 -0.16 1.33 -0.67 0.00 0.00 178.83 180.77 3itc n VAL 31 N -4.02 0.23 -4.29 -0.54 0.24 -0.73 -5.02 118.33 104.21 3itc n VAL 31 Ca -0.12 -0.26 -0.31 0.00 -2.04 0.00 0.00 64.34 61.61 3itc n VAL 31 Cb 0.83 0.71 -0.09 0.00 -1.47 0.00 0.00 33.84 33.82 3itc n VAL 31 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3itc n ARG 32 N -0.15 -1.18 -1.51 7.34 0.63 -0.48 -1.29 116.66 120.01 3itc n ARG 32 Ca 0.01 0.12 -0.11 0.00 -0.92 0.00 0.00 57.85 56.95 3itc n ARG 32 Cb 0.54 -3.70 -0.04 0.00 0.45 0.00 0.00 32.46 29.72 3itc n ARG 32 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3itc n TYR 33 N -4.56 -0.11 -2.64 -0.14 0.53 -0.79 -4.92 117.16 104.53 3itc n TYR 33 Ca -0.32 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.14 3itc n TYR 33 Cb 0.69 -2.23 -0.03 0.00 -1.03 0.00 0.00 39.34 36.74 3itc n TYR 33 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3itc s ASP 34 N -2.80 6.48 0.45 7.72 3.68 -0.41 -4.85 116.67 126.94 3itc s ASP 34 Ca 0.00 -1.47 0.21 0.00 2.13 0.00 0.00 52.55 53.42 3itc s ASP 34 Cb 0.00 -2.53 1.07 0.00 -1.45 0.00 0.00 42.92 40.01 3itc s ASP 34 CO 0.00 -1.45 1.94 -0.07 0.13 0.00 0.00 175.17 175.72 3itc h LEU 35 N 12.28 0.00 -2.05 -1.34 3.38 -1.91 -1.01 115.31 124.66 3itc h LEU 35 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3itc h LEU 35 Cb 1.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 3itc h LEU 35 CO 1.34 0.23 -0.09 0.44 0.09 0.00 0.00 178.44 180.46 3itc h ASP 36 N 0.00 0.00 0.97 -0.43 3.32 -1.99 -2.36 116.42 115.93 3itc h ASP 36 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3itc h ASP 36 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3itc h ASP 36 CO 0.03 0.09 0.00 0.00 -1.72 0.00 0.00 179.24 177.64 3itc n ALA 37 N -2.28 2.25 -2.73 3.45 0.00 -0.38 -3.69 120.51 117.13 3itc n ALA 37 Ca -0.02 -0.09 -0.06 0.00 0.00 0.00 0.00 53.44 53.28 3itc n ALA 37 Cb 0.20 -1.44 0.04 0.00 0.00 0.00 0.00 19.45 18.25 3itc n ALA 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3itc n ARG 38 N -1.56 1.39 -1.66 0.00 5.12 -1.02 -5.10 116.66 113.84 3itc n ARG 38 Ca 0.06 -3.36 -0.43 0.00 -1.93 0.00 0.00 57.85 52.20 3itc n ARG 38 Cb 0.33 -1.39 -0.03 0.00 -1.16 0.00 0.00 32.46 30.20 3itc n ARG 38 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 3itc n ASP 39 N -0.28 4.02 -0.05 0.55 4.64 -0.92 -4.82 116.55 119.69 3itc n ASP 39 Ca 0.08 0.84 0.16 0.00 -1.38 0.00 0.00 54.79 54.49 3itc n ASP 39 Cb 0.81 -1.52 0.90 0.00 -1.04 0.00 0.00 41.12 40.28 3itc n ASP 39 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 3itc n ILE 40 N 5.74 0.00 1.71 5.18 -5.35 -1.26 -1.53 119.36 123.85 3itc n ILE 40 Ca 0.21 -0.03 0.15 0.00 -0.27 0.00 0.00 62.75 62.82 3itc n ILE 40 Cb 0.40 -0.39 0.78 0.00 -1.74 0.00 0.00 39.64 38.69 3itc n ILE 40 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3itc n ALA 41 N -0.88 2.66 -2.49 -1.28 0.00 -1.26 -0.68 120.51 116.58 3itc n ALA 41 Ca 0.23 -0.24 -0.25 0.00 0.00 0.00 0.00 53.44 53.18 3itc n ALA 41 Cb 0.13 -1.42 -0.08 0.00 0.00 0.00 0.00 19.45 18.08 3itc n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3itc s ALA 42 N -2.19 3.41 -0.30 0.00 0.00 -0.58 -4.94 121.76 117.16 3itc s ALA 42 Ca 0.39 -2.06 -0.29 0.00 0.00 0.00 0.00 51.96 50.00 3itc s ALA 42 Cb 0.21 -0.35 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 3itc s ALA 42 CO 0.40 -0.07 1.36 0.34 0.00 0.00 0.00 175.76 177.79 3itc s ASP 43 N -3.82 6.59 -0.21 0.00 3.68 -1.26 -4.70 116.67 116.96 3itc s ASP 43 Ca 0.38 1.22 0.15 0.00 2.13 0.00 0.00 52.55 56.43 3itc s ASP 43 Cb 0.03 -2.54 0.58 0.00 -1.45 0.00 0.00 42.92 39.54 3itc s ASP 43 CO 0.21 -1.14 1.50 0.00 0.13 0.00 0.00 175.17 175.87 3itc n GLN 44 N 7.45 3.11 0.31 4.34 1.13 -1.26 -4.69 117.38 127.77 3itc n GLN 44 Ca 0.15 -2.94 0.17 0.00 -1.94 0.00 0.00 57.00 52.45 3itc n GLN 44 Cb 0.47 -1.93 0.99 0.00 0.11 0.00 0.00 30.24 29.88 3itc n GLN 44 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 3itc h SER 45 N 2.05 0.00 1.00 1.08 0.02 -1.90 -0.03 113.55 115.77 3itc h SER 45 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3itc h SER 45 Cb 1.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.15 3itc h SER 45 CO 0.31 0.01 0.00 0.00 -1.14 0.00 0.00 176.83 176.02 3itc h ALA 46 N 1.99 1.00 0.00 3.77 0.00 -2.02 -3.38 119.26 120.62 3itc h ALA 46 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3itc h ALA 46 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3itc h ALA 46 CO 0.00 0.00 -0.77 0.72 0.00 0.00 0.00 179.25 179.20 3itc n HIS 47 N -2.77 0.00 -3.99 0.00 -0.00 -0.29 -5.11 115.22 103.06 3itc n HIS 47 Ca 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.65 3itc n HIS 47 Cb 0.30 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.18 3itc n HIS 47 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3itc s LEU 48 N -3.26 2.19 0.49 2.41 1.43 -0.18 -5.04 118.68 116.72 3itc s LEU 48 Ca 0.00 -0.59 0.28 0.00 -1.03 0.00 0.00 54.13 52.79 3itc s LEU 48 Cb 0.00 0.23 0.91 0.00 0.03 0.00 0.00 46.19 47.36 3itc s LEU 48 CO 0.00 -0.40 1.82 0.45 0.23 0.00 0.00 176.35 178.45 3itc h HIS 49 N 4.16 0.00 -3.96 0.29 3.86 -1.91 -3.38 115.15 114.22 3itc h HIS 49 Ca -0.32 0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 58.20 3itc h HIS 49 Cb 1.19 0.00 -0.27 0.00 1.06 0.00 0.00 27.41 29.39 3itc h HIS 49 CO 0.61 0.04 -0.82 0.99 0.86 0.00 0.00 177.93 179.62 3itc s THR 50 N -3.48 2.63 0.33 2.45 2.01 -1.26 -2.03 115.64 116.29 3itc s THR 50 Ca 0.03 -0.86 -0.14 0.00 0.31 0.00 0.00 61.69 61.03 3itc s THR 50 Cb 0.08 -2.01 0.03 0.00 0.01 0.00 0.00 72.50 70.60 3itc s THR 50 CO 0.61 0.57 0.66 1.51 -0.69 0.00 0.00 174.62 177.27 3itc s ASP 51 N -0.33 0.09 0.20 3.53 3.84 -1.26 -4.79 116.67 117.95 3itc s ASP 51 Ca 0.02 -1.04 -0.08 0.00 -0.00 0.00 0.00 52.55 51.45 3itc s ASP 51 Cb -0.13 0.74 0.13 0.00 -1.38 0.00 0.00 42.92 42.28 3itc s ASP 51 CO 0.02 -1.43 1.73 -0.07 -0.00 0.00 0.00 175.17 175.42 3itc h LEU 52 N 2.07 1.09 -0.64 2.11 3.38 -1.18 -1.57 115.31 120.57 3itc h LEU 52 Ca -0.27 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.35 3itc h LEU 52 Cb 1.25 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3itc h LEU 52 CO 0.35 1.03 -0.27 0.00 0.09 0.00 0.00 178.44 179.63 3itc h ALA 53 N 1.11 0.82 -0.05 1.53 0.00 -1.90 -2.06 119.26 118.70 3itc h ALA 53 Ca 0.23 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 3itc h ALA 53 Cb 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3itc h ALA 53 CO -0.00 0.64 -0.64 0.00 0.00 0.00 0.00 179.25 179.25 3itc h ARG 54 N 0.66 0.21 -0.70 0.00 3.08 -1.90 -1.07 114.38 114.66 3itc h ARG 54 Ca 0.08 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3itc h ARG 54 Cb 0.80 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 3itc h ARG 54 CO 0.07 0.78 0.37 -0.07 -1.07 0.00 0.00 179.97 180.04 3itc h LEU 55 N 0.15 0.89 -0.17 3.04 3.38 -1.01 -0.21 115.31 121.37 3itc h LEU 55 Ca -0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3itc h LEU 55 Cb 1.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3itc h LEU 55 CO 0.10 0.74 0.08 0.03 0.09 0.00 0.00 178.44 179.48 3itc h ARG 56 N 0.96 0.25 -0.50 1.13 2.47 -1.20 -1.72 114.38 115.77 3itc h ARG 56 Ca 0.24 -0.04 0.05 0.00 -1.26 0.00 0.00 59.98 58.97 3itc h ARG 56 Cb 0.06 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.31 3itc h ARG 56 CO -0.04 0.29 0.33 1.03 0.56 0.00 0.00 179.97 182.14 3itc h SER 57 N 0.15 0.43 1.09 7.04 0.87 -0.99 -1.81 113.55 120.33 3itc h SER 57 Ca 0.06 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3itc h SER 57 Cb 0.12 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 3itc h SER 57 CO -0.01 0.29 0.00 0.61 -0.53 0.00 0.00 176.83 177.20 3itc n GLY 58 N -1.49 -1.49 2.01 5.77 0.00 -0.11 -4.82 105.19 105.06 3itc n GLY 58 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 3itc n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3itc n GLY 59 N 1.05 0.37 3.67 -0.02 0.00 -0.68 -4.10 105.19 105.48 3itc n GLY 59 Ca 0.05 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 3itc n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3itc s VAL 60 N -2.03 4.84 -0.28 1.61 1.01 -0.70 -0.32 120.40 124.52 3itc s VAL 60 Ca 0.00 1.74 0.11 0.00 0.00 0.00 0.00 61.98 63.82 3itc s VAL 60 Cb 0.00 -4.18 -0.14 0.00 0.00 0.00 0.00 36.38 32.06 3itc s VAL 60 CO 0.00 -0.01 0.35 0.61 0.00 0.00 0.00 175.10 176.05 3itc n GLY 61 N 3.41 -0.21 3.36 4.51 0.00 0.66 -4.72 105.19 112.20 3itc n GLY 61 Ca 0.06 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 3itc n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itc s ALA 62 N -2.32 -1.19 -0.04 4.61 0.00 -0.82 -1.61 121.76 120.38 3itc s ALA 62 Ca 0.00 0.92 -0.01 0.00 0.00 0.00 0.00 51.96 52.88 3itc s ALA 62 Cb 0.07 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.01 3itc s ALA 62 CO 0.44 -0.28 0.02 -1.14 0.00 0.00 0.00 175.76 174.79 3itc s GLN 63 N -0.81 0.29 -0.50 0.00 2.00 0.38 -1.01 119.66 120.02 3itc s GLN 63 Ca -0.09 0.16 -0.26 0.00 -2.00 0.00 0.00 55.36 53.17 3itc s GLN 63 Cb -0.03 -0.63 0.03 0.00 0.80 0.00 0.00 33.01 33.18 3itc s GLN 63 CO 0.05 -0.23 1.01 0.71 -0.50 0.00 0.00 175.29 176.32 3itc s TYR 64 N 1.60 2.83 -0.19 1.67 1.51 -0.55 -0.82 117.35 123.40 3itc s TYR 64 Ca -0.02 0.38 -0.28 0.00 -1.01 0.00 0.00 57.07 56.15 3itc s TYR 64 Cb -0.13 -4.16 -0.00 0.00 -0.11 0.00 0.00 41.96 37.56 3itc s TYR 64 CO -0.03 -1.25 0.98 -1.58 -1.11 0.00 0.00 175.55 172.56 3itc s TRP 65 N 4.10 3.39 0.15 2.71 0.52 0.16 -2.42 118.94 127.56 3itc s TRP 65 Ca 0.39 1.44 -0.30 0.00 0.02 0.00 0.00 56.10 57.65 3itc s TRP 65 Cb -0.09 -3.19 -0.07 0.00 -1.15 0.00 0.00 33.47 28.96 3itc s TRP 65 CO 0.26 -0.38 1.17 0.45 0.02 0.00 0.00 176.95 178.47 3itc s SER 66 N 1.18 7.14 -0.35 2.95 0.15 -0.21 -1.65 113.70 122.91 3itc s SER 66 Ca 0.43 2.14 0.06 0.00 0.70 0.00 0.00 55.95 59.29 3itc s SER 66 Cb -0.16 -2.60 0.48 0.00 -1.71 0.00 0.00 66.02 62.03 3itc s SER 66 CO 0.10 -0.35 1.45 1.33 1.20 0.00 0.00 173.24 176.98 3itc n VAL 67 N 2.79 2.72 -1.38 4.45 0.24 -0.18 -4.42 118.33 122.54 3itc n VAL 67 Ca 0.05 -3.35 -0.48 0.00 -2.04 0.00 0.00 64.34 58.52 3itc n VAL 67 Cb 0.45 -0.76 -0.03 0.00 -1.47 0.00 0.00 33.84 32.03 3itc n VAL 67 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3itc n TYR 68 N -0.94 -0.43 -4.07 6.34 4.19 -1.26 -4.56 117.16 116.43 3itc n TYR 68 Ca 0.42 0.96 -0.08 0.00 3.31 0.00 0.00 57.90 62.51 3itc n TYR 68 Cb 0.93 -1.93 -0.10 0.00 0.49 0.00 0.00 39.34 38.74 3itc n TYR 68 CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 3itc s VAL 69 N -0.93 0.18 0.49 2.97 -7.23 -1.26 -4.79 120.40 109.83 3itc s VAL 69 Ca 0.64 -1.74 -0.21 0.00 -1.81 0.00 0.00 61.98 58.86 3itc s VAL 69 Cb -0.93 -1.61 -0.07 0.00 0.56 0.00 0.00 36.38 34.33 3itc s VAL 69 CO 0.55 -0.83 1.11 -0.13 -0.31 0.00 0.00 175.10 175.49 3itc s ARG 70 N -3.94 3.66 0.00 4.82 0.52 -1.26 -4.93 118.95 117.82 3itc s ARG 70 Ca 0.10 1.58 0.23 0.00 -0.52 0.00 0.00 55.73 57.13 3itc s ARG 70 Cb 0.07 -2.19 0.52 0.00 0.52 0.00 0.00 34.95 33.87 3itc s ARG 70 CO -0.07 -0.59 1.46 -1.13 0.02 0.00 0.00 175.30 174.99 3itc n SER 71 N -0.87 3.62 -0.62 0.23 3.41 -1.26 -4.23 113.62 113.90 3itc n SER 71 Ca 0.09 -1.99 0.08 0.00 -0.26 0.00 0.00 58.87 56.78 3itc n SER 71 Cb 0.50 -0.34 0.20 0.00 -0.26 0.00 0.00 64.21 64.31 3itc n SER 71 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3itc n ASP 72 N 1.54 3.26 -4.10 4.04 3.85 -1.26 -5.01 116.55 118.86 3itc n ASP 72 Ca 0.21 -2.74 -0.13 0.00 -0.71 0.00 0.00 54.79 51.42 3itc n ASP 72 Cb 0.61 -0.42 -0.11 0.00 -1.35 0.00 0.00 41.12 39.85 3itc n ASP 72 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3itc s LEU 73 N -2.32 2.33 0.86 -2.12 1.43 -1.26 -5.14 118.68 112.47 3itc s LEU 73 Ca 0.33 -0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 52.63 3itc s LEU 73 Cb 0.26 -0.18 0.11 0.00 0.03 0.00 0.00 46.19 46.41 3itc s LEU 73 CO 0.08 -0.26 1.09 -2.16 0.23 0.00 0.00 176.35 175.33 3itc s PRO 74 N -2.23 1.56 -0.52 1.29 0.04 -1.26 -4.18 135.00 129.69 3itc s PRO 74 Ca -0.03 0.78 -0.02 0.00 0.04 0.00 0.00 61.00 61.78 3itc s PRO 74 Cb -0.06 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.64 3itc s PRO 74 CO -0.01 -2.02 0.24 0.41 0.04 0.00 0.00 177.00 175.66 3itc n GLY 75 N -1.42 0.30 0.27 0.56 0.00 -1.26 -4.95 105.19 98.69 3itc n GLY 75 Ca 0.07 -0.45 0.04 0.00 0.00 0.00 0.00 46.02 45.68 3itc n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itc h ALA 76 N 0.34 1.66 -0.03 4.61 0.00 -1.88 -1.84 119.26 122.12 3itc h ALA 76 Ca -0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3itc h ALA 76 Cb 1.13 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3itc h ALA 76 CO 0.19 0.26 -0.03 0.28 0.00 0.00 0.00 179.25 179.95 3itc h VAL 77 N 0.34 1.40 -0.50 0.00 2.07 -1.84 -0.04 116.25 117.67 3itc h VAL 77 Ca 0.08 -1.23 0.10 0.00 0.82 0.00 0.00 66.70 66.47 3itc h VAL 77 Cb 0.13 2.16 -0.08 0.00 -1.52 0.00 0.00 31.29 31.98 3itc h VAL 77 CO -0.00 0.33 -0.01 0.74 0.02 0.00 0.00 177.57 178.64 3itc h THR 78 N -0.41 0.60 -0.27 2.57 2.02 -1.90 -0.99 112.91 114.51 3itc h THR 78 Ca 0.00 -0.03 -0.06 0.00 0.77 0.00 0.00 66.41 67.09 3itc h THR 78 Cb 0.55 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3itc h THR 78 CO 0.01 0.02 -0.08 0.00 0.37 0.00 0.00 175.52 175.84 3itc h ALA 79 N 1.45 1.35 -0.73 6.16 0.00 -1.20 -1.48 119.26 124.81 3itc h ALA 79 Ca 0.25 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3itc h ALA 79 Cb 0.38 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3itc h ALA 79 CO -0.43 0.44 0.27 1.15 0.00 0.00 0.00 179.25 180.68 3itc h THR 80 N 0.42 1.26 -0.17 0.00 2.02 0.23 -0.22 112.91 116.44 3itc h THR 80 Ca 0.08 -0.84 -0.06 0.00 0.77 0.00 0.00 66.41 66.37 3itc h THR 80 Cb 0.40 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3itc h THR 80 CO 0.02 0.33 -0.16 -0.07 0.37 0.00 0.00 175.52 176.01 3itc h LEU 81 N 1.06 0.27 -0.55 2.58 3.38 -0.48 -0.45 115.31 121.12 3itc h LEU 81 Ca 0.24 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 3itc h LEU 81 Cb 0.25 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3itc h LEU 81 CO -0.01 0.46 -0.51 -0.33 0.09 0.00 0.00 178.44 178.13 3itc h GLU 82 N 0.26 0.56 -0.34 1.13 5.08 -0.72 -0.40 114.58 120.16 3itc h GLU 82 Ca 0.05 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 3itc h GLU 82 Cb 0.45 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3itc h GLU 82 CO 0.03 0.94 0.08 1.96 -1.00 0.00 0.00 179.01 181.01 3itc h GLN 83 N 0.44 0.54 -0.60 2.33 1.08 -0.45 -1.18 115.11 117.27 3itc h GLN 83 Ca 0.02 -0.13 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 3itc h GLN 83 Cb 1.04 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.38 3itc h GLN 83 CO 0.10 0.60 0.30 0.82 -0.95 0.00 0.00 178.83 179.70 3itc h ILE 84 N 0.39 1.21 -0.87 2.54 2.04 -1.04 -2.06 117.51 119.72 3itc h ILE 84 Ca 0.10 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.43 3itc h ILE 84 Cb 0.31 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 3itc h ILE 84 CO 0.00 0.23 0.57 -0.78 0.00 0.00 0.00 178.15 178.18 3itc h ASP 85 N 0.82 0.95 -0.23 1.72 3.58 -0.88 -0.84 116.42 121.53 3itc h ASP 85 Ca 0.21 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.68 3itc h ASP 85 Cb 0.10 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 3itc h ASP 85 CO -0.03 0.66 0.03 0.00 -2.88 0.00 0.00 179.24 177.03 3itc h VAL 87 N 0.12 1.20 -0.74 0.00 2.07 -0.67 -0.81 116.25 117.41 3itc h VAL 87 Ca 0.11 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 67.08 3itc h VAL 87 Cb 0.11 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 3itc h VAL 87 CO -0.15 0.22 0.42 -0.09 0.02 0.00 0.00 177.57 177.99 3itc h ARG 88 N 0.47 0.73 -0.49 1.57 1.12 -0.93 -1.14 114.38 115.72 3itc h ARG 88 Ca 0.13 -0.04 -0.10 0.00 -1.11 0.00 0.00 59.98 58.85 3itc h ARG 88 Cb 0.20 -0.16 -0.02 0.00 -0.01 0.00 0.00 29.97 29.98 3itc h ARG 88 CO -0.01 0.48 -0.09 0.00 -3.11 0.00 0.00 179.97 177.24 3itc h ARG 89 N 0.75 0.88 -0.52 0.20 3.08 -0.73 -0.39 114.38 117.65 3itc h ARG 89 Ca 0.34 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3itc h ARG 89 Cb 0.24 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3itc h ARG 89 CO -0.20 0.94 0.32 -0.07 -1.07 0.00 0.00 179.97 179.88 3itc h LEU 90 N 0.80 0.62 -0.53 3.04 3.38 -0.51 0.56 115.31 122.67 3itc h LEU 90 Ca 0.13 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3itc h LEU 90 Cb 0.60 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3itc h LEU 90 CO 0.04 0.49 0.31 0.40 0.09 0.00 0.00 178.44 179.78 3itc h ILE 91 N 0.70 1.16 -0.06 1.22 2.04 -0.89 -2.20 117.51 119.49 3itc h ILE 91 Ca 0.19 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.60 3itc h ILE 91 Cb -0.02 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 3itc h ILE 91 CO -0.04 0.17 -0.32 0.44 0.00 0.00 0.00 178.15 178.40 3itc h ASP 92 N 0.71 0.10 1.14 1.72 3.32 -0.64 -2.74 116.42 120.03 3itc h ASP 92 Ca 0.19 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 3itc h ASP 92 Cb -0.01 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3itc h ASP 92 CO -0.03 0.43 -0.30 0.03 -1.72 0.00 0.00 179.24 177.64 3itc h ARG 93 N 0.09 0.00 -1.93 3.56 3.08 -0.53 -3.38 114.38 115.27 3itc h ARG 93 Ca 0.01 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.54 3itc h ARG 93 Cb 0.62 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.26 3itc h ARG 93 CO 0.05 0.30 -0.91 0.72 -1.07 0.00 0.00 179.97 179.06 3itc n HIS 94 N -3.34 2.33 0.28 3.04 8.25 -0.86 -4.91 115.22 120.00 3itc n HIS 94 Ca 0.01 -3.67 0.16 0.00 -0.26 0.00 0.00 57.72 53.96 3itc n HIS 94 Cb 0.53 -0.39 0.74 0.00 1.12 0.00 0.00 29.99 31.99 3itc n HIS 94 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3itc h PRO 95 N 2.93 0.00 0.00 -0.41 0.13 -1.74 0.52 132.00 133.43 3itc h PRO 95 Ca 0.12 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.20 3itc h PRO 95 Cb 0.80 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 3itc h PRO 95 CO 0.68 0.05 -0.22 0.78 -0.23 0.00 0.00 178.00 179.06 3itc h GLY 96 N 1.56 0.00 0.00 1.56 0.00 -1.90 -3.35 103.07 100.94 3itc h GLY 96 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3itc h GLY 96 CO 0.01 0.00 -1.27 1.18 0.00 0.00 0.00 176.54 176.46 3itc n GLU 97 N -4.05 1.87 -4.86 4.80 4.71 -0.50 -4.84 120.64 117.79 3itc n GLU 97 Ca -0.02 -0.02 -0.30 0.00 -0.01 0.00 0.00 57.16 56.81 3itc n GLU 97 Cb 0.30 -1.12 -0.15 0.00 -1.01 0.00 0.00 31.44 29.47 3itc n GLU 97 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3itc s LEU 98 N -3.89 2.18 -0.07 -4.62 1.43 0.06 -0.23 118.68 113.54 3itc s LEU 98 Ca -0.02 -0.60 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 3itc s LEU 98 Cb 0.02 -1.27 0.02 0.00 0.03 0.00 0.00 46.19 45.00 3itc s LEU 98 CO 0.19 0.25 -0.03 -0.60 0.23 0.00 0.00 176.35 176.39 3itc s ARG 99 N -1.30 0.92 0.33 1.70 3.52 -0.73 -4.42 118.95 118.98 3itc s ARG 99 Ca 0.12 -0.06 -0.29 0.00 -0.13 0.00 0.00 55.73 55.37 3itc s ARG 99 Cb -0.10 -1.08 -0.11 0.00 -1.56 0.00 0.00 34.95 32.10 3itc s ARG 99 CO 0.02 -0.21 1.50 0.00 -0.81 0.00 0.00 175.30 175.80 3itc s ALA 100 N 1.53 3.63 -0.05 6.12 0.00 -1.26 -0.38 121.76 131.35 3itc s ALA 100 Ca -0.01 1.52 0.02 0.00 0.00 0.00 0.00 51.96 53.49 3itc s ALA 100 Cb -0.13 -3.60 0.01 0.00 0.00 0.00 0.00 23.12 19.40 3itc s ALA 100 CO -0.04 -0.96 -0.09 0.00 0.00 0.00 0.00 175.76 174.67 3itc s ALA 101 N -0.63 0.99 -0.06 0.00 0.00 -0.62 -4.73 121.76 116.70 3itc s ALA 101 Ca 0.57 -0.29 0.06 0.00 0.00 0.00 0.00 51.96 52.30 3itc s ALA 101 Cb -0.46 -0.45 -0.09 0.00 0.00 0.00 0.00 23.12 22.12 3itc s ALA 101 CO 0.55 0.09 0.16 1.28 0.00 0.00 0.00 175.76 177.84 3itc n LEU 102 N 3.71 0.05 -4.18 0.00 4.77 -1.26 -4.29 117.00 115.80 3itc n LEU 102 Ca -0.22 -0.09 -0.11 0.00 -0.03 0.00 0.00 56.01 55.56 3itc n LEU 102 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 3itc n LEU 102 CO 0.25 0.01 -0.28 0.42 -1.33 0.00 0.00 177.39 176.46 3itc s THR 103 N -2.28 0.10 0.28 -5.08 -4.23 -1.26 -5.02 115.64 98.15 3itc s THR 103 Ca -0.01 -1.95 -0.03 0.00 -1.18 0.00 0.00 61.69 58.52 3itc s THR 103 Cb 0.04 -2.23 0.21 0.00 1.34 0.00 0.00 72.50 71.86 3itc s THR 103 CO 0.26 -0.28 1.89 0.00 -0.54 0.00 0.00 174.62 175.95 3itc h ALA 104 N 2.75 1.28 -0.13 3.99 0.00 -1.88 -2.06 119.26 123.22 3itc h ALA 104 Ca -0.36 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3itc h ALA 104 Cb 1.22 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3itc h ALA 104 CO 0.57 0.57 -0.05 0.00 0.00 0.00 0.00 179.25 180.35 3itc h ALA 105 N 1.38 1.69 -0.33 0.00 0.00 -1.96 -1.88 119.26 118.15 3itc h ALA 105 Ca 0.26 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 3itc h ALA 105 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3itc h ALA 105 CO -0.04 0.24 -0.43 -0.44 0.00 0.00 0.00 179.25 178.57 3itc h ASP 106 N 0.19 0.91 -0.58 0.00 3.32 -1.79 -0.05 116.42 118.41 3itc h ASP 106 Ca 0.04 -0.44 -0.05 0.00 0.02 0.00 0.00 57.03 56.61 3itc h ASP 106 Cb 0.21 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3itc h ASP 106 CO 0.01 1.21 0.19 0.24 -1.72 0.00 0.00 179.24 179.17 3itc h MET 107 N 0.68 0.90 -0.16 3.56 2.86 -0.71 -0.10 114.93 121.96 3itc h MET 107 Ca 0.04 -0.19 -0.14 0.00 -2.06 0.00 0.00 59.70 57.35 3itc h MET 107 Cb 1.02 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 3itc h MET 107 CO 0.10 0.81 -0.51 0.93 1.06 0.00 0.00 176.91 179.29 3itc h GLU 108 N 0.82 0.45 -0.50 1.72 4.39 -0.94 -1.46 114.58 119.06 3itc h GLU 108 Ca 0.19 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.64 3itc h GLU 108 Cb 0.28 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 3itc h GLU 108 CO -0.01 0.85 0.31 0.00 -1.16 0.00 0.00 179.01 179.01 3itc h ALA 109 N 1.10 0.63 -0.56 3.43 0.00 -0.61 -0.48 119.26 122.78 3itc h ALA 109 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3itc h ALA 109 Cb 1.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3itc h ALA 109 CO 0.09 0.04 0.35 0.00 0.00 0.00 0.00 179.25 179.73 3itc h ALA 110 N 1.20 0.71 -0.87 0.00 0.00 -0.77 -1.90 119.26 117.63 3itc h ALA 110 Ca 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3itc h ALA 110 Cb -0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3itc h ALA 110 CO -0.06 0.18 0.49 -0.09 0.00 0.00 0.00 179.25 179.76 3itc h ARG 111 N 0.75 1.20 -0.70 0.00 2.43 -0.95 0.37 114.38 117.49 3itc h ARG 111 Ca 0.20 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 3itc h ARG 111 Cb -0.04 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.24 3itc h ARG 111 CO -0.04 0.87 0.24 0.00 -1.51 0.00 0.00 179.97 179.53 3itc h ALA 112 N 1.32 1.10 0.00 2.80 0.00 -0.79 -2.88 119.26 120.82 3itc h ALA 112 Ca 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3itc h ALA 112 Cb 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3itc h ALA 112 CO -0.05 0.62 0.00 0.93 0.00 0.00 0.00 179.25 180.75 3itc h GLU 113 N 1.02 0.00 -0.09 0.00 5.08 -0.81 -3.48 114.58 116.31 3itc h GLU 113 Ca 0.23 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 3itc h GLU 113 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 3itc h GLU 113 CO -0.01 0.00 -0.02 0.41 -1.00 0.00 0.00 179.01 178.39 3itc n GLY 114 N 1.03 0.39 3.74 -3.84 0.00 0.04 -5.06 105.19 101.48 3itc n GLY 114 Ca 0.04 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 3itc n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3itc s ARG 115 N -3.07 2.67 -0.38 1.61 0.52 -0.71 -4.95 118.95 114.65 3itc s ARG 115 Ca 0.00 -1.00 -0.25 0.00 -0.52 0.00 0.00 55.73 53.96 3itc s ARG 115 Cb 0.00 -2.50 0.01 0.00 0.52 0.00 0.00 34.95 32.98 3itc s ARG 115 CO 0.00 0.46 0.88 0.42 0.02 0.00 0.00 175.30 177.08 3itc s ILE 116 N -1.80 4.62 0.10 1.52 1.01 0.68 -4.17 121.20 123.16 3itc s ILE 116 Ca 0.30 1.05 -0.31 0.00 0.00 0.00 0.00 60.65 61.68 3itc s ILE 116 Cb -0.09 -4.30 -0.09 0.00 0.01 0.00 0.00 42.46 37.98 3itc s ILE 116 CO 0.21 -0.53 1.76 0.00 0.00 0.00 0.00 174.94 176.38 3itc s ALA 117 N 3.38 3.73 -0.33 9.38 0.00 -0.64 -1.76 121.76 135.52 3itc s ALA 117 Ca 0.36 1.35 -0.02 0.00 0.00 0.00 0.00 51.96 53.65 3itc s ALA 117 Cb -0.12 -3.74 0.07 0.00 0.00 0.00 0.00 23.12 19.33 3itc s ALA 117 CO 0.19 -1.18 0.05 -1.12 0.00 0.00 0.00 175.76 173.69 3itc s SER 118 N 2.62 4.96 0.46 0.00 0.01 0.49 -0.47 113.70 121.77 3itc s SER 118 Ca 0.78 -1.50 0.07 0.00 1.31 0.00 0.00 55.95 56.61 3itc s SER 118 Cb -0.43 -1.73 -0.01 0.00 0.21 0.00 0.00 66.02 64.05 3itc s SER 118 CO 0.35 -0.33 0.30 -0.76 0.41 0.00 0.00 173.24 173.21 3itc s LEU 119 N 1.20 3.03 0.01 2.44 1.02 -0.00 -1.60 118.68 124.78 3itc s LEU 119 Ca -0.01 -1.06 0.05 0.00 0.02 0.00 0.00 54.13 53.13 3itc s LEU 119 Cb -0.20 -1.50 -0.02 0.00 0.02 0.00 0.00 46.19 44.49 3itc s LEU 119 CO -0.02 -0.77 -0.16 -0.04 0.02 0.00 0.00 176.35 175.38 3itc s MET 120 N -4.09 1.18 -0.06 1.70 -1.94 -1.26 -0.66 119.30 114.17 3itc s MET 120 Ca 0.39 -0.67 0.01 0.00 -1.71 0.00 0.00 55.69 53.72 3itc s MET 120 Cb -0.00 -1.18 0.02 0.00 2.01 0.00 0.00 34.83 35.68 3itc s MET 120 CO 0.23 0.31 -0.06 0.20 -0.01 0.00 0.00 175.02 175.69 3itc s GLY 121 N -0.70 0.56 0.22 -0.03 0.00 -0.66 -0.53 107.32 106.17 3itc s GLY 121 Ca 0.05 -0.19 -0.25 0.00 0.00 0.00 0.00 44.72 44.33 3itc s GLY 121 CO 0.00 0.51 0.83 0.00 0.00 0.00 0.00 173.10 174.44 3itc s ALA 122 N 1.09 3.38 -0.83 3.20 0.00 -0.05 -1.02 121.76 127.53 3itc s ALA 122 Ca -0.08 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.29 3itc s ALA 122 Cb -0.14 -3.02 0.20 0.00 0.00 0.00 0.00 23.12 20.16 3itc s ALA 122 CO -0.01 0.26 0.69 -1.91 0.00 0.00 0.00 175.76 174.79 3itc n GLU 123 N 1.26 2.37 0.00 0.00 2.13 -1.26 -0.74 120.64 124.39 3itc n GLU 123 Ca -0.03 -4.49 0.00 0.00 0.66 0.00 0.00 57.16 53.30 3itc n GLU 123 Cb 0.49 -2.37 0.00 0.00 0.27 0.00 0.00 31.44 29.83 3itc n GLU 123 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3itc n GLY 124 N 2.16 4.00 0.33 8.31 0.00 -0.26 -4.47 105.19 115.24 3itc n GLY 124 Ca 0.21 -1.22 0.22 0.00 0.00 0.00 0.00 46.02 45.23 3itc n GLY 124 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3itc h GLY 125 N 0.00 0.00 1.87 -0.02 0.00 -0.63 -1.99 103.07 102.30 3itc h GLY 125 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3itc h GLY 125 CO 0.00 0.00 0.06 1.12 0.00 0.00 0.00 176.54 177.72 3itc h HIS 126 N 0.00 0.00 0.00 5.60 2.07 -1.90 -1.49 115.15 119.43 3itc h HIS 126 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3itc h HIS 126 Cb 0.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.09 3itc h HIS 126 CO 0.00 0.00 0.00 0.77 -3.07 0.00 0.00 177.93 175.63 3itc h SER 127 N 0.00 0.00 -0.02 3.10 0.02 -1.69 -2.47 113.55 112.49 3itc h SER 127 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3itc h SER 127 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3itc h SER 127 CO -0.00 0.00 -0.08 2.30 -1.14 0.00 0.00 176.83 177.91 3itc n ILE 128 N -2.62 0.00 -3.98 3.27 -5.35 -0.56 -4.56 119.36 105.56 3itc n ILE 128 Ca -0.01 -0.46 -0.28 0.00 -0.27 0.00 0.00 62.75 61.72 3itc n ILE 128 Cb 0.10 1.35 -0.01 0.00 -1.74 0.00 0.00 39.64 39.34 3itc n ILE 128 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3itc n ASP 129 N 0.80 -1.95 -2.27 7.28 4.64 -0.93 -1.47 116.55 122.66 3itc n ASP 129 Ca 0.10 -0.95 -0.17 0.00 -1.38 0.00 0.00 54.79 52.39 3itc n ASP 129 Cb 0.44 -3.25 -0.02 0.00 -1.04 0.00 0.00 41.12 37.26 3itc n ASP 129 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 3itc n ASN 130 N -2.89 -5.04 -4.01 1.67 3.02 -1.26 -4.96 115.26 101.79 3itc n ASN 130 Ca -0.15 0.13 -0.31 0.00 -0.03 0.00 0.00 54.58 54.22 3itc n ASN 130 Cb 0.61 -4.27 -0.16 0.00 -0.61 0.00 0.00 39.78 35.35 3itc n ASN 130 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3itc s SER 131 N -2.11 3.39 0.31 6.41 0.15 -0.54 -4.55 113.70 116.76 3itc s SER 131 Ca 0.00 -0.87 0.06 0.00 0.70 0.00 0.00 55.95 55.84 3itc s SER 131 Cb 0.00 -1.27 0.53 0.00 -1.71 0.00 0.00 66.02 63.57 3itc s SER 131 CO 0.00 -0.13 1.76 -0.07 1.20 0.00 0.00 173.24 176.00 3itc h LEU 132 N 7.96 0.29 -1.35 3.45 3.38 -1.85 -1.83 115.31 125.36 3itc h LEU 132 Ca -0.29 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 3itc h LEU 132 Cb 1.10 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3itc h LEU 132 CO 0.49 0.59 0.19 0.00 0.09 0.00 0.00 178.44 179.81 3itc h ALA 133 N 1.43 1.50 -0.36 1.53 0.00 -1.94 -0.54 119.26 120.88 3itc h ALA 133 Ca 0.04 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 3itc h ALA 133 Cb 0.67 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3itc h ALA 133 CO 0.05 0.39 -0.30 1.15 0.00 0.00 0.00 179.25 180.54 3itc h THR 134 N 0.63 1.28 -0.62 0.00 2.02 -1.72 0.15 112.91 114.65 3itc h THR 134 Ca 0.16 -1.46 0.06 0.00 0.77 0.00 0.00 66.41 65.93 3itc h THR 134 Cb 0.11 1.42 -0.05 0.00 -1.74 0.00 0.00 68.15 67.89 3itc h THR 134 CO -0.02 0.48 0.34 0.25 0.37 0.00 0.00 175.52 176.94 3itc h LEU 135 N 0.63 0.50 -0.92 2.58 5.85 -0.93 0.58 115.31 123.60 3itc h LEU 135 Ca 0.06 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 3itc h LEU 135 Cb 0.88 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 3itc h LEU 135 CO 0.08 0.33 -0.15 0.03 -0.34 0.00 0.00 178.44 178.38 3itc h ARG 136 N 0.63 0.63 -0.56 1.25 3.08 -0.48 -1.52 114.38 117.41 3itc h ARG 136 Ca 0.28 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 3itc h ARG 136 Cb 0.17 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3itc h ARG 136 CO -0.18 0.75 -0.07 0.00 -1.07 0.00 0.00 179.97 179.41 3itc h ALA 137 N 1.27 0.76 -0.73 0.04 0.00 0.07 -1.42 119.26 119.25 3itc h ALA 137 Ca 0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3itc h ALA 137 Cb 0.59 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3itc h ALA 137 CO 0.04 0.65 0.35 -0.07 0.00 0.00 0.00 179.25 180.21 3itc h LEU 138 N 0.91 0.96 -0.58 0.00 3.38 -0.49 -1.26 115.31 118.24 3itc h LEU 138 Ca 0.15 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3itc h LEU 138 Cb 0.64 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3itc h LEU 138 CO 0.04 0.83 0.31 0.22 0.09 0.00 0.00 178.44 179.93 3itc h TYR 139 N 1.03 0.57 -0.44 1.13 5.03 -1.09 -1.63 116.97 121.56 3itc h TYR 139 Ca 0.25 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.58 3itc h TYR 139 Cb 0.13 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.21 3itc h TYR 139 CO 0.01 0.28 0.28 0.00 -1.32 0.00 0.00 178.16 177.41 3itc h ALA 140 N 1.31 1.66 -0.00 1.82 0.00 -0.60 -0.67 119.26 122.77 3itc h ALA 140 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3itc h ALA 140 Cb 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3itc h ALA 140 CO -0.17 0.31 -0.04 1.28 0.00 0.00 0.00 179.25 180.63 3itc n LEU 141 N -4.46 0.13 0.00 0.00 4.77 -0.54 -4.90 117.00 112.01 3itc n LEU 141 Ca 0.04 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3itc n LEU 141 Cb 0.07 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3itc n LEU 141 CO 0.36 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3itc n GLY 142 N 1.30 0.98 3.72 -0.72 0.00 -0.26 -5.09 105.19 105.12 3itc n GLY 142 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3itc n GLY 142 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3itc s VAL 143 N -2.00 3.42 0.00 1.61 1.01 -0.66 -4.20 120.40 119.59 3itc s VAL 143 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.02 3itc s VAL 143 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3itc s VAL 143 CO 0.00 0.09 0.33 0.54 0.00 0.00 0.00 175.10 176.07 3itc n ARG 144 N 3.77 0.70 -4.02 2.72 5.12 0.30 -4.36 116.66 120.90 3itc n ARG 144 Ca 0.10 -0.33 -0.08 0.00 -1.93 0.00 0.00 57.85 55.61 3itc n ARG 144 Cb 0.43 -0.82 -0.09 0.00 -1.16 0.00 0.00 32.46 30.82 3itc n ARG 144 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 3itc s TYR 145 N -0.20 0.43 -0.03 -1.55 -0.85 -1.20 -0.91 117.35 113.05 3itc s TYR 145 Ca 0.00 -0.93 -0.01 0.00 -0.52 0.00 0.00 57.07 55.61 3itc s TYR 145 Cb 0.00 -0.29 0.03 0.00 0.38 0.00 0.00 41.96 42.08 3itc s TYR 145 CO 0.00 -0.44 0.03 1.41 -1.52 0.00 0.00 175.55 175.02 3itc s MET 146 N -3.91 0.11 0.05 -3.49 1.75 -0.62 -0.87 119.30 112.32 3itc s MET 146 Ca 0.08 0.20 -0.31 0.00 -1.25 0.00 0.00 55.69 54.41 3itc s MET 146 Cb 0.07 -0.46 -0.06 0.00 2.84 0.00 0.00 34.83 37.22 3itc s MET 146 CO -0.09 -0.22 1.32 0.99 -0.65 0.00 0.00 175.02 176.37 3itc s THR 147 N 1.46 3.72 0.28 10.11 2.01 0.08 -1.85 115.64 131.45 3itc s THR 147 Ca -0.04 1.19 0.09 0.00 0.31 0.00 0.00 61.69 63.25 3itc s THR 147 Cb -0.13 -3.77 -0.00 0.00 0.01 0.00 0.00 72.50 68.61 3itc s THR 147 CO -0.03 0.06 1.65 -0.07 -0.69 0.00 0.00 174.62 175.54 3itc h LEU 148 N 7.31 0.07 -8.91 4.42 3.38 -1.58 -0.61 115.31 119.39 3itc h LEU 148 Ca -0.40 -0.04 -0.37 0.00 0.09 0.00 0.00 57.88 57.16 3itc h LEU 148 Cb 1.20 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.79 3itc h LEU 148 CO 0.86 0.61 -0.64 0.42 0.09 0.00 0.00 178.44 179.78 3itc s THR 149 N -3.78 0.87 0.00 0.22 -4.23 -1.26 -0.76 115.64 106.70 3itc s THR 149 Ca -0.02 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 3itc s THR 149 Cb 0.13 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.50 3itc s THR 149 CO 0.76 -0.20 0.00 1.57 -0.54 0.00 0.00 174.62 176.21 3itc n HIS 150 N -0.45 0.00 0.92 3.99 -0.00 -1.26 -4.17 115.22 114.25 3itc n HIS 150 Ca -0.03 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.28 3itc n HIS 150 Cb 0.65 0.00 0.50 0.00 -0.12 0.00 0.00 29.99 31.01 3itc n HIS 150 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 3itc n ASN 151 N 0.00 0.25 -4.56 0.26 5.03 -1.26 -4.64 115.26 110.34 3itc n ASN 151 Ca 0.00 0.36 -0.31 0.00 0.87 0.00 0.00 54.58 55.50 3itc n ASN 151 Cb 0.00 -0.37 -0.11 0.00 -1.02 0.00 0.00 39.78 38.28 3itc n ASN 151 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3itc s ASP 152 N -3.30 4.36 0.70 6.41 1.01 -1.26 -3.96 116.67 120.63 3itc s ASP 152 Ca 0.13 -0.30 -0.16 0.00 0.71 0.00 0.00 52.55 52.92 3itc s ASP 152 Cb 0.17 -0.89 -0.02 0.00 1.01 0.00 0.00 42.92 43.20 3itc s ASP 152 CO 0.58 0.24 0.80 0.59 0.21 0.00 0.00 175.17 177.58 3itc n ASN 153 N 1.22 -0.14 -3.69 0.27 3.02 -1.26 -4.53 115.26 110.15 3itc n ASN 153 Ca -0.15 0.66 -0.19 0.00 -0.03 0.00 0.00 54.58 54.87 3itc n ASN 153 Cb 0.52 -1.33 -0.03 0.00 -0.61 0.00 0.00 39.78 38.33 3itc n ASN 153 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3itc n ASN 154 N -1.03 2.69 0.31 6.41 0.23 -0.69 -4.97 115.26 118.21 3itc n ASN 154 Ca 0.12 -2.34 0.20 0.00 -0.53 0.00 0.00 54.58 52.04 3itc n ASN 154 Cb 0.49 0.16 1.00 0.00 -2.08 0.00 0.00 39.78 39.36 3itc n ASN 154 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3itc h ALA 155 N 1.05 1.01 0.00 -2.53 0.00 -1.99 -3.25 119.26 113.56 3itc h ALA 155 Ca -0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3itc h ALA 155 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3itc h ALA 155 CO 0.41 0.00 0.00 -2.67 0.00 0.00 0.00 179.25 177.00 3itc n TRP 156 N -3.11 0.00 -3.70 0.00 4.27 -1.26 -4.89 117.44 108.76 3itc n TRP 156 Ca -0.02 -0.10 -0.14 0.00 -3.89 0.00 0.00 57.50 53.36 3itc n TRP 156 Cb 0.17 -0.01 -0.09 0.00 -1.36 0.00 0.00 31.31 30.02 3itc n TRP 156 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3itc s ALA 157 N -0.20 -1.21 -0.07 -1.67 0.00 -1.23 -1.39 121.76 116.00 3itc s ALA 157 Ca 0.00 1.22 -0.12 0.00 0.00 0.00 0.00 51.96 53.06 3itc s ALA 157 Cb 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 3itc s ALA 157 CO 0.00 -0.25 0.31 -0.51 0.00 0.00 0.00 175.76 175.31 3itc s ASP 158 N -0.13 6.60 0.22 0.00 -0.00 -0.57 -1.71 116.67 121.08 3itc s ASP 158 Ca -0.03 0.71 -0.07 0.00 -0.00 0.00 0.00 52.55 53.16 3itc s ASP 158 Cb -0.03 -2.19 -0.06 0.00 -0.00 0.00 0.00 42.92 40.64 3itc s ASP 158 CO 0.02 0.28 0.50 -0.55 -0.00 0.00 0.00 175.17 175.42 3itc s SER 159 N -0.64 6.54 0.46 0.27 0.15 -1.26 -1.22 113.70 118.00 3itc s SER 159 Ca 0.20 0.77 0.19 0.00 0.70 0.00 0.00 55.95 57.81 3itc s SER 159 Cb -0.14 -2.16 1.11 0.00 -1.71 0.00 0.00 66.02 63.11 3itc s SER 159 CO 0.08 -0.06 1.98 0.00 1.20 0.00 0.00 173.24 176.44 3itc h ALA 160 N 2.42 1.47 -0.59 5.45 0.00 -0.92 -3.09 119.26 123.99 3itc h ALA 160 Ca -0.47 -0.18 -0.27 0.00 0.00 0.00 0.00 54.91 53.99 3itc h ALA 160 Cb 1.17 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.77 3itc h ALA 160 CO 0.69 0.25 0.20 0.25 0.00 0.00 0.00 179.25 180.64 3itc n THR 161 N -4.01 2.78 -4.28 0.00 -2.24 -1.26 -4.82 114.28 100.45 3itc n THR 161 Ca -0.02 -2.26 -0.18 0.00 -2.27 0.00 0.00 64.05 59.32 3itc n THR 161 Cb 0.28 -0.36 -0.09 0.00 -2.10 0.00 0.00 70.33 68.06 3itc n THR 161 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3itc s ASP 162 N -1.90 1.34 0.72 3.42 3.68 -1.17 -4.75 116.67 118.02 3itc s ASP 162 Ca 0.50 -1.65 -0.11 0.00 2.13 0.00 0.00 52.55 53.42 3itc s ASP 162 Cb 0.43 0.49 0.02 0.00 -1.45 0.00 0.00 42.92 42.42 3itc s ASP 162 CO 0.06 -0.99 1.10 -1.83 0.13 0.00 0.00 175.17 173.64 3itc s GLU 163 N -3.67 2.73 0.46 4.34 -1.05 -1.26 -4.86 118.70 115.40 3itc s GLU 163 Ca 0.39 0.48 -0.24 0.00 -0.15 0.00 0.00 54.97 55.45 3itc s GLU 163 Cb 0.04 -2.01 -0.08 0.00 -0.44 0.00 0.00 34.13 31.64 3itc s GLU 163 CO 0.22 -1.13 1.30 -2.30 0.95 0.00 0.00 175.26 174.30 3itc n PRO 164 N -3.07 1.87 0.00 -4.83 -0.02 -1.26 -4.81 135.00 122.88 3itc n PRO 164 Ca 0.07 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3itc n PRO 164 Cb 0.57 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3itc n PRO 164 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3itc n GLY 165 N 0.79 0.47 0.30 -1.23 0.00 -1.26 -4.91 105.19 99.35 3itc n GLY 165 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 3itc n GLY 165 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3itc n VAL 166 N -0.29 0.00 -0.32 1.61 0.24 -1.26 -4.95 118.33 113.36 3itc n VAL 166 Ca 0.00 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 3itc n VAL 166 Cb 0.00 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 3itc n VAL 166 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3itc n GLY 167 N 1.36 0.81 0.00 7.63 0.00 -1.26 -4.72 105.19 109.00 3itc n GLY 167 Ca 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3itc n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3itc n GLY 168 N -2.32 0.98 3.64 -0.02 0.00 -1.26 -4.66 105.19 101.55 3itc n GLY 168 Ca 0.00 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 3itc n GLY 168 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3itc s LEU 169 N 0.00 3.58 0.00 0.99 1.43 -1.26 -1.52 118.68 121.90 3itc s LEU 169 Ca 0.00 0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 53.04 3itc s LEU 169 Cb 0.00 -1.85 0.20 0.00 0.03 0.00 0.00 46.19 44.58 3itc s LEU 169 CO 0.00 0.30 1.15 -1.54 0.23 0.00 0.00 176.35 176.49 3itc n SER 170 N 2.69 -0.11 -0.27 2.29 3.41 -0.48 -4.79 113.62 116.36 3itc n SER 170 Ca -0.18 -1.39 -0.03 0.00 -0.26 0.00 0.00 58.87 57.01 3itc n SER 170 Cb 0.53 -0.89 0.08 0.00 -0.26 0.00 0.00 64.21 63.67 3itc n SER 170 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3itc h ALA 171 N -1.90 0.97 -0.68 7.33 0.00 -1.90 0.38 119.26 123.47 3itc h ALA 171 Ca -0.38 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 3itc h ALA 171 Cb 1.05 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3itc h ALA 171 CO 0.26 0.28 0.18 0.35 0.00 0.00 0.00 179.25 180.33 3itc h PHE 172 N 0.94 1.10 -0.44 0.00 3.04 -1.91 -1.96 116.94 117.71 3itc h PHE 172 Ca 0.29 -0.11 0.07 0.00 3.98 0.00 0.00 57.97 62.20 3itc h PHE 172 Cb -0.01 -0.32 -0.06 0.00 2.56 0.00 0.00 35.95 38.13 3itc h PHE 172 CO -0.03 0.89 0.09 0.78 -2.02 0.00 0.00 178.31 178.01 3itc h GLY 173 N 1.07 0.52 1.49 2.40 0.00 -1.49 0.68 103.07 107.75 3itc h GLY 173 Ca 0.22 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 3itc h GLY 173 CO -0.00 -0.04 0.01 3.21 0.00 0.00 0.00 176.54 179.71 3itc h ARG 174 N 0.23 0.63 -0.39 4.80 3.08 -0.51 -1.94 114.38 120.27 3itc h ARG 174 Ca 0.21 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 3itc h ARG 174 Cb 0.26 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3itc h ARG 174 CO -0.27 0.65 -0.09 1.49 -1.07 0.00 0.00 179.97 180.67 3itc h GLU 175 N 0.60 0.68 -0.17 0.04 4.57 -0.42 -1.02 114.58 118.86 3itc h GLU 175 Ca 0.13 -0.21 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3itc h GLU 175 Cb 0.37 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 3itc h GLU 175 CO 0.01 0.76 0.09 0.28 -1.18 0.00 0.00 179.01 178.98 3itc h VAL 176 N 0.62 1.10 -0.43 0.32 2.07 -0.49 -0.76 116.25 118.69 3itc h VAL 176 Ca 0.11 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.39 3itc h VAL 176 Cb 0.53 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3itc h VAL 176 CO 0.03 0.09 0.23 0.58 0.02 0.00 0.00 177.57 178.52 3itc h VAL 177 N 0.17 1.00 -0.91 2.57 2.07 -1.02 0.54 116.25 120.67 3itc h VAL 177 Ca 0.06 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3itc h VAL 177 Cb 0.07 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 3itc h VAL 177 CO -0.01 0.08 0.58 0.03 0.02 0.00 0.00 177.57 178.28 3itc h ARG 178 N 0.46 1.21 -0.41 1.57 3.08 -0.92 -0.63 114.38 118.73 3itc h ARG 178 Ca 0.18 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 3itc h ARG 178 Cb 0.06 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 3itc h ARG 178 CO -0.11 0.82 -0.28 0.93 -1.07 0.00 0.00 179.97 180.26 3itc h GLU 179 N 1.24 0.88 -0.74 0.04 4.39 -0.75 -0.94 114.58 118.69 3itc h GLU 179 Ca 0.33 -0.40 0.09 0.00 0.34 0.00 0.00 59.36 59.72 3itc h GLU 179 Cb -0.11 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.45 3itc h GLU 179 CO -0.07 1.04 0.40 0.52 -1.16 0.00 0.00 179.01 179.74 3itc h MET 180 N 0.74 0.66 -0.49 2.33 2.86 -0.50 0.63 114.93 121.16 3itc h MET 180 Ca 0.09 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3itc h MET 180 Cb 0.84 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 3itc h MET 180 CO 0.07 0.44 0.32 -0.91 1.06 0.00 0.00 176.91 177.89 3itc h ASN 181 N 0.68 0.57 -0.29 1.22 -0.26 -0.79 0.45 115.58 117.16 3itc h ASN 181 Ca 0.36 -0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 55.98 3itc h ASN 181 Cb 0.33 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 3itc h ASN 181 CO -0.25 0.42 -0.11 -0.09 -1.06 0.00 0.00 177.43 176.34 3itc h ARG 182 N 0.66 0.70 0.00 0.81 2.43 -0.48 -2.94 114.38 115.57 3itc h ARG 182 Ca 0.18 -0.23 -0.13 0.00 -0.81 0.00 0.00 59.98 58.99 3itc h ARG 182 Cb -0.06 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3itc h ARG 182 CO -0.04 0.80 -0.63 0.93 -1.51 0.00 0.00 179.97 179.51 3itc h GLU 183 N 0.64 0.00 0.00 0.20 4.39 -0.55 -3.41 114.58 115.84 3itc h GLU 183 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3itc h GLU 183 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3itc h GLU 183 CO 0.04 0.63 0.00 0.41 -1.16 0.00 0.00 179.01 178.93 3itc n GLY 184 N 0.67 0.92 3.72 -3.84 0.00 -0.03 -4.94 105.19 101.69 3itc n GLY 184 Ca -0.00 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 3itc n GLY 184 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3itc s MET 185 N -1.47 4.31 0.21 1.61 0.00 -0.17 -4.67 119.30 119.12 3itc s MET 185 Ca 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 55.69 55.79 3itc s MET 185 Cb 0.00 -3.45 -0.09 0.00 0.00 0.00 0.00 34.83 31.29 3itc s MET 185 CO 0.00 0.13 1.27 -0.51 0.00 0.00 0.00 175.02 175.91 3itc s LEU 186 N 0.72 4.43 -0.21 4.11 1.43 -0.09 -4.36 118.68 124.73 3itc s LEU 186 Ca 0.24 2.38 -0.29 0.00 -1.03 0.00 0.00 54.13 55.43 3itc s LEU 186 Cb -0.15 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.46 3itc s LEU 186 CO 0.09 -0.46 1.07 -0.69 0.23 0.00 0.00 176.35 176.59 3itc s VAL 187 N -0.13 4.62 -0.19 -1.59 1.01 -1.26 -1.59 120.40 121.27 3itc s VAL 187 Ca 0.54 1.95 -0.04 0.00 0.00 0.00 0.00 61.98 64.43 3itc s VAL 187 Cb -0.35 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.74 3itc s VAL 187 CO 0.39 -0.16 -0.02 -0.62 0.00 0.00 0.00 175.10 174.69 3itc s ASP 188 N 1.31 4.65 -0.05 3.32 3.68 -0.77 -0.96 116.67 127.85 3itc s ASP 188 Ca 0.46 -0.24 0.14 0.00 2.13 0.00 0.00 52.55 55.03 3itc s ASP 188 Cb -0.16 -1.78 0.42 0.00 -1.45 0.00 0.00 42.92 39.94 3itc s ASP 188 CO 0.08 0.07 1.35 0.18 0.13 0.00 0.00 175.17 176.98 3itc n LEU 189 N 4.20 3.37 -4.67 -1.34 4.77 0.28 -1.75 117.00 121.86 3itc n LEU 189 Ca -0.17 -2.24 -0.34 0.00 -0.03 0.00 0.00 56.01 53.23 3itc n LEU 189 Cb 0.52 -0.35 0.12 0.00 -2.33 0.00 0.00 43.42 41.38 3itc n LEU 189 CO 0.31 0.75 0.71 -1.20 -1.33 0.00 0.00 177.39 176.63 3itc n SER 190 N 0.46 0.91 0.00 -1.43 7.64 -1.26 -3.23 113.62 116.71 3itc n SER 190 Ca 0.16 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.64 3itc n SER 190 Cb 0.58 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 3itc n SER 190 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3itc n HIS 191 N -3.10 0.00 -3.35 1.43 8.25 -1.26 -4.55 115.22 112.64 3itc n HIS 191 Ca 0.13 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.35 3itc n HIS 191 Cb 0.50 -0.42 -0.01 0.00 1.12 0.00 0.00 29.99 31.18 3itc n HIS 191 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3itc s VAL 192 N -1.23 5.09 0.75 1.59 -7.23 -1.20 -0.52 120.40 117.65 3itc s VAL 192 Ca 0.00 -0.41 -0.14 0.00 -1.81 0.00 0.00 61.98 59.62 3itc s VAL 192 Cb 0.00 -3.85 0.05 0.00 0.56 0.00 0.00 36.38 33.14 3itc s VAL 192 CO 0.00 -0.56 1.18 0.00 -0.31 0.00 0.00 175.10 175.42 3itc s ALA 193 N -2.32 2.07 0.44 1.32 0.00 -0.36 -3.92 121.76 119.00 3itc s ALA 193 Ca 0.40 0.78 0.12 0.00 0.00 0.00 0.00 51.96 53.27 3itc s ALA 193 Cb -0.10 -3.44 1.02 0.00 0.00 0.00 0.00 23.12 20.60 3itc s ALA 193 CO 0.36 -1.93 2.05 0.00 0.00 0.00 0.00 175.76 176.24 3itc h ALA 194 N -0.51 1.90 -0.26 0.00 0.00 -1.91 -0.43 119.26 118.06 3itc h ALA 194 Ca -0.47 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.43 3itc h ALA 194 Cb 1.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3itc h ALA 194 CO 0.49 0.04 0.16 1.79 0.00 0.00 0.00 179.25 181.72 3itc h THR 195 N 0.37 1.04 -0.82 0.00 1.35 -1.91 -1.64 112.91 111.31 3itc h THR 195 Ca 0.17 -0.11 0.06 0.00 -0.55 0.00 0.00 66.41 65.97 3itc h THR 195 Cb 0.20 0.69 -0.06 0.00 -1.73 0.00 0.00 68.15 67.25 3itc h THR 195 CO -0.04 0.06 0.51 0.74 -0.25 0.00 0.00 175.52 176.54 3itc h THR 196 N 0.32 1.05 -0.26 6.82 2.02 -1.57 -0.08 112.91 121.22 3itc h THR 196 Ca 0.10 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 66.99 3itc h THR 196 Cb -0.02 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.39 3itc h THR 196 CO -0.04 0.17 0.07 0.24 0.37 0.00 0.00 175.52 176.34 3itc h MET 197 N 0.94 0.18 -0.41 6.66 0.00 -0.66 -0.19 114.93 121.45 3itc h MET 197 Ca 0.35 -0.01 -0.08 0.00 0.00 0.00 0.00 59.70 59.96 3itc h MET 197 Cb 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 31.60 31.69 3itc h MET 197 CO -0.16 0.12 -0.07 0.00 0.00 0.00 0.00 176.91 176.80 3itc h ARG 198 N 0.18 0.77 -0.64 1.72 3.08 -0.92 -1.26 114.38 117.32 3itc h ARG 198 Ca 0.12 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 3itc h ARG 198 Cb 0.10 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3itc h ARG 198 CO -0.13 0.89 0.27 -0.44 -1.07 0.00 0.00 179.97 179.48 3itc h ASP 199 N 0.59 0.84 -0.54 7.04 3.32 -0.84 -0.34 116.42 126.49 3itc h ASP 199 Ca 0.11 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 3itc h ASP 199 Cb 0.59 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3itc h ASP 199 CO 0.03 0.74 -0.01 0.00 -1.72 0.00 0.00 179.24 178.29 3itc h ALA 200 N 1.39 0.72 -0.05 3.45 0.00 -0.82 -2.08 119.26 121.87 3itc h ALA 200 Ca 0.22 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3itc h ALA 200 Cb 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3itc h ALA 200 CO -0.02 0.55 -0.41 -0.07 0.00 0.00 0.00 179.25 179.30 3itc h LEU 201 N 0.83 0.10 -0.71 0.00 3.38 -0.92 0.21 115.31 118.20 3itc h LEU 201 Ca 0.15 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3itc h LEU 201 Cb 0.54 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3itc h LEU 201 CO 0.03 0.51 0.14 0.44 0.09 0.00 0.00 178.44 179.65 3itc h ASP 202 N 0.09 1.08 0.19 -0.43 3.32 -0.82 -3.34 116.42 116.49 3itc h ASP 202 Ca 0.01 -0.24 -0.35 0.00 0.02 0.00 0.00 57.03 56.46 3itc h ASP 202 Cb 0.77 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3itc h ASP 202 CO 0.06 1.05 -1.87 0.74 -1.72 0.00 0.00 179.24 177.50 3itc h THR 203 N 1.06 0.78 -3.44 0.35 2.02 -0.82 -3.47 112.91 109.39 3itc h THR 203 Ca 0.21 -2.45 -0.52 0.00 0.77 0.00 0.00 66.41 64.42 3itc h THR 203 Cb 0.41 2.62 0.05 0.00 -1.74 0.00 0.00 68.15 69.49 3itc h THR 203 CO 0.01 0.87 0.70 -0.55 0.37 0.00 0.00 175.52 176.92 3itc s SER 204 N -7.10 6.77 0.00 4.18 0.15 0.67 -4.90 113.70 113.47 3itc s SER 204 Ca -0.18 2.56 0.21 0.00 0.70 0.00 0.00 55.95 59.24 3itc s SER 204 Cb 0.06 -2.62 0.47 0.00 -1.71 0.00 0.00 66.02 62.22 3itc s SER 204 CO 0.81 -0.61 1.41 0.35 1.20 0.00 0.00 173.24 176.40 3itc n THR 205 N 2.27 0.70 -4.40 6.45 -2.24 -1.26 -4.94 114.28 110.86 3itc n THR 205 Ca 0.06 -0.85 -0.28 0.00 -2.27 0.00 0.00 64.05 60.71 3itc n THR 205 Cb 0.41 0.78 -0.12 0.00 -2.10 0.00 0.00 70.33 69.31 3itc n THR 205 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3itc s ALA 206 N -1.24 2.52 0.35 6.98 0.00 -1.26 -4.97 121.76 124.14 3itc s ALA 206 Ca 0.39 -1.57 -0.27 0.00 0.00 0.00 0.00 51.96 50.51 3itc s ALA 206 Cb 0.22 -0.38 -0.12 0.00 0.00 0.00 0.00 23.12 22.84 3itc s ALA 206 CO 0.30 0.47 1.23 -2.30 0.00 0.00 0.00 175.76 175.45 3itc n PRO 207 N 0.47 1.93 -3.79 0.00 -0.02 -1.24 -4.95 135.00 127.40 3itc n PRO 207 Ca -0.14 0.68 -0.21 0.00 -2.02 0.00 0.00 63.50 61.81 3itc n PRO 207 Cb 0.55 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 3itc n PRO 207 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3itc s VAL 208 N -1.12 3.85 0.24 -1.45 -7.23 -1.26 -4.60 120.40 108.83 3itc s VAL 208 Ca 0.57 -1.28 0.07 0.00 -1.81 0.00 0.00 61.98 59.54 3itc s VAL 208 Cb -0.58 -3.29 -0.05 0.00 0.56 0.00 0.00 36.38 33.02 3itc s VAL 208 CO 0.61 -0.20 -0.10 0.27 -0.31 0.00 0.00 175.10 175.37 3itc s ILE 209 N -2.24 1.70 -0.29 -0.62 -4.36 -0.13 -1.66 121.20 113.59 3itc s ILE 209 Ca 0.40 -2.17 -0.00 0.00 -0.26 0.00 0.00 60.65 58.62 3itc s ILE 209 Cb -0.07 -2.25 0.05 0.00 1.25 0.00 0.00 42.46 41.44 3itc s ILE 209 CO 0.27 -0.44 -0.02 -0.36 0.24 0.00 0.00 174.94 174.63 3itc s PHE 210 N -2.99 3.28 -0.26 1.37 0.40 -0.53 -0.55 117.98 118.69 3itc s PHE 210 Ca 0.26 -2.01 0.27 0.00 -0.60 0.00 0.00 56.93 54.85 3itc s PHE 210 Cb 0.01 -2.09 0.83 0.00 0.51 0.00 0.00 43.02 42.28 3itc s PHE 210 CO 0.10 -0.83 1.78 0.66 0.70 0.00 0.00 175.22 177.62 3itc h SER 211 N 7.93 0.00 -0.80 1.36 4.64 -1.88 0.76 113.55 125.57 3itc h SER 211 Ca -0.20 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.02 3itc h SER 211 Cb 1.05 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.98 3itc h SER 211 CO 0.52 0.00 -0.39 -1.38 -0.87 0.00 0.00 176.83 174.70 3itc s HIS 212 N -3.38 -1.30 0.01 4.77 -3.43 -1.23 -3.88 115.29 106.84 3itc s HIS 212 Ca 0.05 -0.36 -0.06 0.00 -0.80 0.00 0.00 55.06 53.89 3itc s HIS 212 Cb 0.08 0.25 -0.00 0.00 -1.43 0.00 0.00 32.58 31.48 3itc s HIS 212 CO 0.59 -1.01 0.10 -1.12 -2.00 0.00 0.00 174.74 171.31 3itc s SER 213 N 1.04 0.09 0.00 7.38 0.01 -0.74 -4.76 113.70 116.72 3itc s SER 213 Ca 0.27 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.21 3itc s SER 213 Cb 0.02 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.45 3itc s SER 213 CO -0.07 -0.38 0.00 -1.20 0.41 0.00 0.00 173.24 172.00 3itc n SER 214 N 1.35 0.95 -4.45 2.44 7.64 -1.26 -3.54 113.62 116.74 3itc n SER 214 Ca -0.22 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.26 3itc n SER 214 Cb 0.56 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.65 3itc n SER 214 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3itc s SER 215 N 0.41 5.70 0.25 6.43 0.15 -1.26 0.25 113.70 125.62 3itc s SER 215 Ca 0.00 -0.56 -0.01 0.00 0.70 0.00 0.00 55.95 56.08 3itc s SER 215 Cb 0.00 -2.04 0.29 0.00 -1.71 0.00 0.00 66.02 62.57 3itc s SER 215 CO 0.00 -0.23 1.68 0.03 1.20 0.00 0.00 173.24 175.92 3itc h ARG 216 N 8.40 0.65 -0.68 5.44 3.08 -1.46 -1.16 114.38 128.64 3itc h ARG 216 Ca -0.31 -0.25 0.07 0.00 0.07 0.00 0.00 59.98 59.56 3itc h ARG 216 Cb 1.14 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.11 3itc h ARG 216 CO 0.63 0.82 0.45 0.00 -1.07 0.00 0.00 179.97 180.79 3itc h ALA 217 N 1.19 1.75 0.19 0.04 0.00 -1.94 -2.72 119.26 117.78 3itc h ALA 217 Ca 0.08 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.64 3itc h ALA 217 Cb 0.68 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.31 3itc h ALA 217 CO 0.05 0.13 -1.61 0.28 0.00 0.00 0.00 179.25 178.11 3itc h VAL 218 N 0.68 1.11 -3.22 0.00 2.07 -1.85 -3.44 116.25 111.59 3itc h VAL 218 Ca 0.29 -2.66 -0.49 0.00 0.82 0.00 0.00 66.70 64.67 3itc h VAL 218 Cb 0.28 2.85 -0.40 0.00 -1.52 0.00 0.00 31.29 32.50 3itc h VAL 218 CO -0.09 0.84 -0.76 0.00 0.02 0.00 0.00 177.57 177.57 3itc s ASP 220 N 1.94 6.54 -0.01 0.00 2.15 -1.15 -4.09 116.67 122.05 3itc s ASP 220 Ca 0.01 -1.62 0.01 0.00 0.43 0.00 0.00 52.55 51.38 3itc s ASP 220 Cb -0.16 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 39.94 3itc s ASP 220 CO -0.08 -1.39 -0.03 -2.28 -0.17 0.00 0.00 175.17 171.22 3itc s HIS 221 N 4.38 0.41 -1.56 -5.34 2.46 -1.26 -5.04 115.29 109.33 3itc s HIS 221 Ca 0.43 -0.07 0.09 0.00 0.47 0.00 0.00 55.06 55.98 3itc s HIS 221 Cb -0.01 -0.33 0.49 0.00 -0.13 0.00 0.00 32.58 32.61 3itc s HIS 221 CO -0.10 -0.05 1.14 -0.35 -2.47 0.00 0.00 174.74 172.91 3itc n PRO 222 N 3.33 0.17 0.10 2.88 -0.04 -1.26 -1.26 135.00 138.91 3itc n PRO 222 Ca -0.17 0.15 0.13 0.00 -0.04 0.00 0.00 63.50 63.57 3itc n PRO 222 Cb 0.56 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.81 3itc n PRO 222 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3itc h ARG 223 N 0.00 0.00 -6.62 0.54 2.47 -1.91 -3.45 114.38 105.41 3itc h ARG 223 Ca 0.00 0.00 -0.43 0.00 -1.26 0.00 0.00 59.98 58.29 3itc h ARG 223 Cb 0.07 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.42 3itc h ARG 223 CO 0.00 0.00 -0.16 -0.80 0.56 0.00 0.00 179.97 179.57 3itc s ASN 224 N -4.60 5.51 -0.22 7.04 0.01 -0.39 -4.49 114.94 117.79 3itc s ASN 224 Ca 0.09 -0.21 -0.10 0.00 -0.71 0.00 0.00 52.86 51.92 3itc s ASN 224 Cb 0.12 -0.80 -0.05 0.00 0.41 0.00 0.00 41.25 40.93 3itc s ASN 224 CO 0.65 -0.91 0.13 -0.63 -1.51 0.00 0.00 177.10 174.83 3itc s ILE 225 N -2.53 5.26 0.62 0.60 1.01 0.14 -4.60 121.20 121.70 3itc s ILE 225 Ca 0.55 0.14 -0.17 0.00 0.00 0.00 0.00 60.65 61.18 3itc s ILE 225 Cb -0.10 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 3itc s ILE 225 CO 0.35 0.39 1.13 -2.84 0.00 0.00 0.00 174.94 173.98 3itc s PRO 226 N 0.79 2.92 0.40 2.79 0.02 -1.26 -1.65 135.00 139.00 3itc s PRO 226 Ca 0.07 1.54 0.08 0.00 0.02 0.00 0.00 61.00 62.70 3itc s PRO 226 Cb -0.13 -1.95 0.85 0.00 0.02 0.00 0.00 34.50 33.29 3itc s PRO 226 CO 0.02 -1.18 2.02 -0.44 -0.33 0.00 0.00 177.00 177.09 3itc h ASP 227 N 0.44 0.52 0.09 2.53 3.45 -1.98 -1.43 116.42 120.04 3itc h ASP 227 Ca -0.48 -0.01 -0.05 0.00 0.43 0.00 0.00 57.03 56.92 3itc h ASP 227 Cb 1.26 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.90 3itc h ASP 227 CO 0.55 0.36 -0.16 -2.24 -1.57 0.00 0.00 179.24 176.17 3itc h ASP 228 N 0.60 0.14 0.02 6.45 2.03 -2.00 -0.26 116.42 123.41 3itc h ASP 228 Ca 0.22 -0.03 -0.24 0.00 -0.73 0.00 0.00 57.03 56.25 3itc h ASP 228 Cb 0.12 -0.04 0.02 0.00 -0.83 0.00 0.00 39.33 38.60 3itc h ASP 228 CO -0.06 0.32 -0.96 0.58 -1.03 0.00 0.00 179.24 178.09 3itc h VAL 229 N 0.14 1.32 -0.88 4.15 2.07 -1.73 -3.07 116.25 118.25 3itc h VAL 229 Ca 0.03 -2.24 0.06 0.00 0.82 0.00 0.00 66.70 65.37 3itc h VAL 229 Cb 0.37 2.50 -0.06 0.00 -1.52 0.00 0.00 31.29 32.59 3itc h VAL 229 CO 0.02 0.68 0.57 -0.07 0.02 0.00 0.00 177.57 178.80 3itc h LEU 230 N 0.24 0.87 -1.59 2.57 3.38 -0.80 -1.74 115.31 118.24 3itc h LEU 230 Ca -0.13 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 3itc h LEU 230 Cb 1.64 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 3itc h LEU 230 CO 0.19 0.56 -0.21 -0.33 0.09 0.00 0.00 178.44 178.74 3itc h GLU 231 N 0.99 0.00 0.00 1.13 5.08 -1.04 -1.95 114.58 118.79 3itc h GLU 231 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 3itc h GLU 231 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3itc h GLU 231 CO -0.14 0.21 0.00 0.54 -1.00 0.00 0.00 179.01 178.62 3itc n ARG 232 N -4.21 0.13 -0.04 2.33 1.74 -0.66 -3.98 116.66 111.96 3itc n ARG 232 Ca -0.02 0.16 -0.08 0.00 -0.77 0.00 0.00 57.85 57.14 3itc n ARG 232 Cb 0.27 -1.67 0.09 0.00 -1.02 0.00 0.00 32.46 30.14 3itc n ARG 232 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3itc h LEU 233 N 0.00 0.70 -0.94 0.55 3.38 -1.25 -1.43 115.31 116.32 3itc h LEU 233 Ca 0.00 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 3itc h LEU 233 Cb 0.56 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3itc h LEU 233 CO 0.00 0.98 0.14 -1.28 0.09 0.00 0.00 178.44 178.38 3itc h SER 234 N 0.57 0.86 -0.11 -0.43 0.87 -1.75 0.62 113.55 114.18 3itc h SER 234 Ca 0.06 -0.16 -0.14 0.00 -1.23 0.00 0.00 61.79 60.32 3itc h SER 234 Cb 0.85 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 3itc h SER 234 CO 0.07 0.84 -0.39 0.00 -0.53 0.00 0.00 176.83 176.82 3itc h ALA 235 N 1.28 0.81 0.00 6.23 0.00 -1.73 -2.88 119.26 122.96 3itc h ALA 235 Ca 0.19 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 3itc h ALA 235 Cb 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3itc h ALA 235 CO -0.00 0.65 -0.46 -0.97 0.00 0.00 0.00 179.25 178.47 3itc h ASN 236 N 0.52 0.00 0.00 0.00 -0.73 -0.54 -3.47 115.58 111.36 3itc h ASN 236 Ca 0.05 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.22 3itc h ASN 236 Cb 0.91 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.50 3itc h ASN 236 CO 0.08 0.46 0.00 0.61 -0.37 0.00 0.00 177.43 178.21 3itc n GLY 237 N 0.47 0.76 0.00 1.57 0.00 0.21 -3.72 105.19 104.47 3itc n GLY 237 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3itc n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3itc n GLY 238 N -2.20 0.30 3.42 -0.02 0.00 -1.08 -4.82 105.19 100.78 3itc n GLY 238 Ca 0.00 -1.80 -0.16 0.00 0.00 0.00 0.00 46.02 44.06 3itc n GLY 238 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3itc s MET 239 N 0.72 0.86 -0.24 1.61 0.23 -0.67 -4.44 119.30 117.38 3itc s MET 239 Ca 0.00 0.19 -0.06 0.00 -1.03 0.00 0.00 55.69 54.79 3itc s MET 239 Cb 0.00 0.40 -0.02 0.00 -1.53 0.00 0.00 34.83 33.68 3itc s MET 239 CO 0.00 -0.24 0.04 0.00 -2.03 0.00 0.00 175.02 172.79 3itc s ALA 240 N -0.99 3.05 -0.45 3.16 0.00 -0.17 -1.46 121.76 124.90 3itc s ALA 240 Ca -0.10 -1.16 -0.14 0.00 0.00 0.00 0.00 51.96 50.56 3itc s ALA 240 Cb -0.02 -1.98 0.07 0.00 0.00 0.00 0.00 23.12 21.19 3itc s ALA 240 CO 0.07 -0.50 0.35 -1.64 0.00 0.00 0.00 175.76 174.03 3itc s MET 241 N 1.57 2.90 0.49 0.00 -1.94 0.26 -1.17 119.30 121.40 3itc s MET 241 Ca 0.06 -1.33 -0.24 0.00 -1.71 0.00 0.00 55.69 52.47 3itc s MET 241 Cb -0.15 -4.03 -0.07 0.00 2.01 0.00 0.00 34.83 32.59 3itc s MET 241 CO 0.02 -0.97 1.39 1.55 -0.01 0.00 0.00 175.02 177.00 3itc n VAL 242 N 5.13 3.20 -4.38 -6.03 3.14 -0.53 -1.79 118.33 117.07 3itc n VAL 242 Ca -0.12 -0.50 -0.24 0.00 -2.96 0.00 0.00 64.34 60.52 3itc n VAL 242 Cb 0.44 -1.75 -0.09 0.00 -1.06 0.00 0.00 33.84 31.38 3itc n VAL 242 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 3itc s THR 243 N -1.23 2.74 -1.11 1.55 -1.32 -1.23 -0.10 115.64 114.94 3itc s THR 243 Ca 0.65 -2.09 0.18 0.00 -1.21 0.00 0.00 61.69 59.23 3itc s THR 243 Cb -0.44 -2.67 -0.15 0.00 -1.51 0.00 0.00 72.50 67.73 3itc s THR 243 CO 0.54 -0.29 0.83 0.49 -2.21 0.00 0.00 174.62 173.98 3itc n PHE 244 N -0.85 0.00 -1.53 9.09 3.72 -1.24 -4.77 117.46 121.88 3itc n PHE 244 Ca -0.05 0.00 -0.55 0.00 -0.05 0.00 0.00 57.45 56.80 3itc n PHE 244 Cb 0.61 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.07 3itc n PHE 244 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3itc n VAL 245 N -1.05 0.21 -0.31 -4.37 0.31 -1.26 -4.28 118.33 107.57 3itc n VAL 245 Ca 0.05 -0.13 0.07 0.00 -0.01 0.00 0.00 64.34 64.32 3itc n VAL 245 Cb 0.32 -1.29 0.23 0.00 -0.91 0.00 0.00 33.84 32.19 3itc n VAL 245 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3itc h PRO 246 N 9.67 0.70 0.00 5.55 0.11 -1.92 0.24 132.00 146.35 3itc h PRO 246 Ca -0.33 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3itc h PRO 246 Cb 1.34 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3itc h PRO 246 CO 1.01 0.46 0.00 0.36 -0.21 0.00 0.00 178.00 179.62 3itc n LYS 247 N -4.80 0.36 0.00 1.05 2.85 -1.26 -0.55 118.16 115.81 3itc n LYS 247 Ca 0.18 0.08 0.08 0.00 -1.05 0.00 0.00 58.31 57.60 3itc n LYS 247 Cb 0.42 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.26 3itc n LYS 247 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3itc n PHE 248 N -1.20 0.00 -0.01 5.58 0.99 0.78 -4.27 117.46 119.33 3itc n PHE 248 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.55 3itc n PHE 248 Cb 0.12 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.57 3itc n PHE 248 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 3itc n VAL 249 N -0.59 0.16 -3.69 -4.37 0.24 -0.76 -4.70 118.33 104.62 3itc n VAL 249 Ca 0.05 -0.13 -0.37 0.00 -2.04 0.00 0.00 64.34 61.86 3itc n VAL 249 Cb 0.31 -0.47 -0.12 0.00 -1.47 0.00 0.00 33.84 32.10 3itc n VAL 249 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3itc s LEU 250 N -3.93 3.67 0.35 1.34 2.96 0.29 -4.67 118.68 118.69 3itc s LEU 250 Ca -0.02 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 3itc s LEU 250 Cb 0.02 -2.00 0.64 0.00 0.50 0.00 0.00 46.19 45.34 3itc s LEU 250 CO 0.15 -0.04 2.00 -0.61 -1.32 0.00 0.00 176.35 176.53 3itc h GLN 251 N 8.26 0.84 -0.42 1.98 5.75 -1.86 -0.63 115.11 129.03 3itc h GLN 251 Ca -0.37 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.06 3itc h GLN 251 Cb 1.18 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 3itc h GLN 251 CO 0.57 0.55 0.18 0.00 -2.65 0.00 0.00 178.83 177.48 3itc h ALA 252 N 1.60 1.53 -0.12 3.38 0.00 -1.94 -1.11 119.26 122.60 3itc h ALA 252 Ca 0.25 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 3itc h ALA 252 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3itc h ALA 252 CO -0.06 0.37 -0.59 0.00 0.00 0.00 0.00 179.25 178.96 3itc h ALA 253 N 1.61 0.75 -0.54 0.00 0.00 -1.41 0.04 119.26 119.72 3itc h ALA 253 Ca 0.15 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3itc h ALA 253 Cb 0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3itc h ALA 253 CO -0.02 0.71 0.29 -0.39 0.00 0.00 0.00 179.25 179.85 3itc h VAL 254 N 0.30 1.18 -0.36 0.00 -1.51 -0.88 -0.82 116.25 114.16 3itc h VAL 254 Ca -0.00 -0.46 -0.03 0.00 -1.23 0.00 0.00 66.70 64.97 3itc h VAL 254 Cb 1.12 0.51 -0.02 0.00 -2.13 0.00 0.00 31.29 30.78 3itc h VAL 254 CO 0.10 0.20 0.10 0.44 -1.23 0.00 0.00 177.57 177.17 3itc h ASP 255 N 0.72 0.55 -0.15 4.19 3.32 -1.07 -0.40 116.42 123.57 3itc h ASP 255 Ca 0.19 -0.22 0.03 0.00 0.02 0.00 0.00 57.03 57.04 3itc h ASP 255 Cb 0.05 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3itc h ASP 255 CO -0.03 0.63 -0.02 -0.25 -1.72 0.00 0.00 179.24 177.85 3itc h TRP 256 N 0.44 -0.04 -0.65 4.55 7.01 -0.88 -0.87 115.95 125.51 3itc h TRP 256 Ca 0.12 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 3itc h TRP 256 Cb 0.29 0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.36 3itc h TRP 256 CO 0.01 -0.04 0.33 1.15 -2.79 0.00 0.00 178.44 177.11 3itc h THR 257 N 0.03 1.21 -0.62 2.65 2.02 -0.93 0.56 112.91 117.82 3itc h THR 257 Ca 0.07 -0.55 -0.05 0.00 0.77 0.00 0.00 66.41 66.65 3itc h THR 257 Cb 0.09 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 3itc h THR 257 CO -0.13 0.24 0.19 0.00 0.37 0.00 0.00 175.52 176.19 3itc h ALA 258 N 1.45 0.81 -0.33 6.16 0.00 -0.64 0.09 119.26 126.80 3itc h ALA 258 Ca 0.23 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3itc h ALA 258 Cb 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3itc h ALA 258 CO -0.03 0.48 -0.13 0.93 0.00 0.00 0.00 179.25 180.50 3itc h GLU 259 N 0.89 0.58 -0.39 0.00 5.08 -0.62 -1.33 114.58 118.79 3itc h GLU 259 Ca 0.20 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3itc h GLU 259 Cb 0.30 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3itc h GLU 259 CO -0.01 0.70 0.13 0.00 -1.00 0.00 0.00 179.01 178.83 3itc h ALA 260 N 1.33 0.51 -0.55 3.43 0.00 -0.40 -1.23 119.26 122.35 3itc h ALA 260 Ca 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3itc h ALA 260 Cb 0.54 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3itc h ALA 260 CO 0.03 0.15 0.28 -0.44 0.00 0.00 0.00 179.25 179.27 3itc h ASP 261 N 0.48 0.70 -0.71 0.00 3.32 -0.81 0.11 116.42 119.52 3itc h ASP 261 Ca 0.13 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3itc h ASP 261 Cb 0.24 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3itc h ASP 261 CO -0.01 0.62 0.46 0.44 -1.72 0.00 0.00 179.24 179.03 3itc h ASP 262 N 0.73 0.82 -0.55 6.45 3.45 -1.10 -1.59 116.42 124.64 3itc h ASP 262 Ca 0.19 -0.03 -0.03 0.00 0.43 0.00 0.00 57.03 57.58 3itc h ASP 262 Cb 0.09 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.63 3itc h ASP 262 CO -0.03 0.61 0.22 -1.13 -1.57 0.00 0.00 179.24 177.34 3itc h ASN 263 N 0.96 0.77 -0.12 6.45 -1.24 -0.73 0.85 115.58 122.52 3itc h ASN 263 Ca 0.26 -0.17 0.03 0.00 0.71 0.00 0.00 56.30 57.13 3itc h ASN 263 Cb -0.09 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 38.73 3itc h ASN 263 CO -0.05 0.73 -0.09 0.24 -1.29 0.00 0.00 177.43 176.97 3itc h MET 264 N 0.76 -0.10 -0.14 6.67 2.86 -0.55 -2.26 114.93 122.16 3itc h MET 264 Ca 0.18 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 3itc h MET 264 Cb 0.21 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 3itc h MET 264 CO -0.01 -0.07 0.02 0.00 1.06 0.00 0.00 176.91 177.91 3itc h ARG 265 N -0.11 0.19 0.00 1.72 3.08 -1.05 -0.90 114.38 117.31 3itc h ARG 265 Ca 0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3itc h ARG 265 Cb 0.22 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3itc h ARG 265 CO -0.18 0.19 0.00 0.00 -1.07 0.00 0.00 179.97 178.91 3itc h ALA 266 N 1.84 1.00 -0.65 0.04 0.00 -0.23 -0.09 119.26 121.16 3itc h ALA 266 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3itc h ALA 266 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3itc h ALA 266 CO -0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 3itc n HIS 267 N -2.61 1.22 -0.87 0.00 8.25 -0.40 -4.93 115.22 115.87 3itc n HIS 267 Ca 0.00 -0.57 0.00 0.00 -0.26 0.00 0.00 57.72 56.90 3itc n HIS 267 Cb 0.20 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.18 3itc n HIS 267 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3itc n GLY 268 N 1.25 0.53 3.77 -1.41 0.00 -0.05 -5.05 105.19 104.24 3itc n GLY 268 Ca 0.24 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 3itc n GLY 268 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3itc s PHE 269 N -2.00 3.31 0.49 1.61 0.40 -0.86 -4.99 117.98 115.96 3itc s PHE 269 Ca 0.00 0.27 -0.23 0.00 -0.60 0.00 0.00 56.93 56.37 3itc s PHE 269 Cb 0.00 -1.79 -0.06 0.00 0.51 0.00 0.00 43.02 41.67 3itc s PHE 269 CO 0.00 0.57 1.33 -1.58 0.70 0.00 0.00 175.22 176.23 3itc s HIS 270 N -1.08 2.49 0.53 0.36 5.65 -1.26 -2.87 115.29 119.12 3itc s HIS 270 Ca 0.19 1.39 0.21 0.00 0.25 0.00 0.00 55.06 57.09 3itc s HIS 270 Cb -0.12 -3.73 1.42 0.00 -1.18 0.00 0.00 32.58 28.97 3itc s HIS 270 CO 0.09 -2.55 2.16 1.12 -0.65 0.00 0.00 174.74 174.91 3itc h HIS 271 N 1.89 0.00 -0.01 3.88 2.07 -1.91 -1.14 115.15 119.93 3itc h HIS 271 Ca -0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.02 3itc h HIS 271 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 3itc h HIS 271 CO 0.49 0.03 -0.17 1.28 -3.07 0.00 0.00 177.93 176.49 3itc n LEU 272 N -4.25 1.00 -4.66 6.12 4.77 -1.26 -4.94 117.00 113.77 3itc n LEU 272 Ca -0.03 -0.26 -0.57 0.00 -0.03 0.00 0.00 56.01 55.13 3itc n LEU 272 Cb 0.11 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.03 3itc n LEU 272 CO 0.32 0.18 1.10 -0.67 -1.33 0.00 0.00 177.39 176.99 3itc n ASP 273 N -0.54 1.80 -0.44 -1.43 -0.08 -0.43 -4.87 116.55 110.55 3itc n ASP 273 Ca 0.14 1.11 0.05 0.00 -1.51 0.00 0.00 54.79 54.58 3itc n ASP 273 Cb 0.33 -1.11 0.12 0.00 2.34 0.00 0.00 41.12 42.80 3itc n ASP 273 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3itc n SER 274 N 3.95 2.73 -4.67 1.67 7.64 -1.26 -4.69 113.62 118.98 3itc n SER 274 Ca 0.24 -2.20 -0.33 0.00 1.01 0.00 0.00 58.87 57.60 3itc n SER 274 Cb 0.12 -0.21 0.14 0.00 -1.01 0.00 0.00 64.21 63.25 3itc n SER 274 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3itc n SER 275 N -0.05 0.61 0.21 6.43 3.41 -1.26 -4.69 113.62 118.28 3itc n SER 275 Ca 0.10 0.51 0.05 0.00 -0.26 0.00 0.00 58.87 59.26 3itc n SER 275 Cb 0.44 -1.48 0.47 0.00 -0.26 0.00 0.00 64.21 63.38 3itc n SER 275 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3itc h PRO 276 N -1.31 0.02 0.27 4.33 0.11 -1.98 0.29 132.00 133.73 3itc h PRO 276 Ca -0.45 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3itc h PRO 276 Cb 1.29 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3itc h PRO 276 CO 0.43 0.23 -0.13 0.93 -0.21 0.00 0.00 178.00 179.26 3itc h GLU 277 N 0.02 -0.35 -0.98 1.05 3.07 -1.99 -1.34 114.58 114.06 3itc h GLU 277 Ca 0.00 0.02 0.14 0.00 -0.50 0.00 0.00 59.36 59.03 3itc h GLU 277 Cb 0.38 0.08 -0.09 0.00 -0.84 0.00 0.00 28.75 28.28 3itc h GLU 277 CO 0.03 -0.08 0.62 0.00 -1.40 0.00 0.00 179.01 178.18 3itc h ALA 278 N 0.07 1.62 -0.16 3.43 0.00 -1.76 -2.07 119.26 120.39 3itc h ALA 278 Ca -0.04 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3itc h ALA 278 Cb 0.43 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3itc h ALA 278 CO 0.06 0.10 -0.24 0.52 0.00 0.00 0.00 179.25 179.69 3itc h MET 279 N 0.88 0.28 -0.26 0.00 2.86 -0.07 -1.60 114.93 117.03 3itc h MET 279 Ca 0.51 -0.09 -0.18 0.00 -2.06 0.00 0.00 59.70 57.87 3itc h MET 279 Cb 0.64 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 3itc h MET 279 CO -0.28 0.51 -0.57 0.87 1.06 0.00 0.00 176.91 178.50 3itc h LYS 280 N 0.26 0.81 -0.43 1.72 1.79 -0.55 -0.13 116.57 120.03 3itc h LYS 280 Ca 0.04 -0.52 0.06 0.00 -2.18 0.00 0.00 60.65 58.05 3itc h LYS 280 Cb 0.56 0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 31.22 3itc h LYS 280 CO 0.04 1.15 0.12 0.28 -1.08 0.00 0.00 179.45 179.96 3itc h VAL 281 N 0.61 0.81 -0.11 0.50 2.07 -1.16 -1.56 116.25 117.42 3itc h VAL 281 Ca 0.01 -0.09 -0.15 0.00 0.82 0.00 0.00 66.70 67.29 3itc h VAL 281 Cb 1.17 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3itc h VAL 281 CO 0.12 0.05 -0.58 -0.74 0.02 0.00 0.00 177.57 176.44 3itc h HIS 282 N 0.26 0.45 -0.89 1.57 -0.00 -1.00 -2.25 115.15 113.29 3itc h HIS 282 Ca 0.21 -0.17 0.09 0.00 -0.00 0.00 0.00 60.37 60.50 3itc h HIS 282 Cb 0.23 -0.08 -0.07 0.00 -0.00 0.00 0.00 27.41 27.49 3itc h HIS 282 CO -0.18 0.85 0.54 0.00 -0.00 0.00 0.00 177.93 179.14 3itc h ALA 283 N 1.11 1.28 -0.16 5.26 0.00 -0.65 -1.02 119.26 125.08 3itc h ALA 283 Ca -0.00 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3itc h ALA 283 Cb 1.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3itc h ALA 283 CO 0.10 0.20 -0.48 0.00 0.00 0.00 0.00 179.25 179.07 3itc h ALA 284 N 1.47 0.89 -0.05 0.00 0.00 -0.86 -1.19 119.26 119.51 3itc h ALA 284 Ca 0.42 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3itc h ALA 284 Cb 0.34 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3itc h ALA 284 CO -0.23 0.66 0.02 0.35 0.00 0.00 0.00 179.25 180.05 3itc h PHE 285 N 0.32 0.08 0.00 0.00 3.57 -0.77 -2.26 116.94 117.88 3itc h PHE 285 Ca 0.02 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 3itc h PHE 285 Cb 0.96 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 3itc h PHE 285 CO 0.03 0.18 -0.21 1.49 -2.23 0.00 0.00 178.31 177.57 3itc h GLU 286 N -0.05 0.00 -0.12 1.11 4.81 -1.03 0.28 114.58 119.58 3itc h GLU 286 Ca 0.02 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 3itc h GLU 286 Cb 0.13 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3itc h GLU 286 CO -0.00 0.21 -0.54 1.49 -0.73 0.00 0.00 179.01 179.43 3itc h GLU 287 N 0.00 0.34 -0.25 1.92 4.57 -1.02 -3.17 114.58 116.97 3itc h GLU 287 Ca -0.00 -0.21 -0.15 0.00 -1.18 0.00 0.00 59.36 57.82 3itc h GLU 287 Cb 0.37 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 3itc h GLU 287 CO 0.03 0.79 -0.43 0.00 -1.18 0.00 0.00 179.01 178.22 3itc h ARG 288 N 0.26 0.73 -3.73 1.92 3.08 -0.63 -3.42 114.38 112.59 3itc h ARG 288 Ca 0.00 -0.45 -0.58 0.00 0.07 0.00 0.00 59.98 59.02 3itc h ARG 288 Cb 1.03 0.05 -0.40 0.00 0.08 0.00 0.00 29.97 30.74 3itc h ARG 288 CO 0.09 1.08 -0.76 0.08 -1.07 0.00 0.00 179.97 179.39 3itc s VAL 289 N -4.13 0.98 0.51 2.04 1.01 0.87 -5.12 120.40 116.56 3itc s VAL 289 Ca -0.12 -1.28 -0.23 0.00 0.00 0.00 0.00 61.98 60.36 3itc s VAL 289 Cb 0.09 -1.63 -0.06 0.00 0.00 0.00 0.00 36.38 34.77 3itc s VAL 289 CO 0.85 -0.51 1.30 -2.84 0.00 0.00 0.00 175.10 173.90 3itc s PRO 290 N 1.59 3.41 0.09 2.72 0.02 -1.22 -4.30 135.00 137.31 3itc s PRO 290 Ca 0.06 2.10 -0.31 0.00 0.02 0.00 0.00 61.00 62.87 3itc s PRO 290 Cb -0.18 -2.36 -0.08 0.00 0.02 0.00 0.00 34.50 31.91 3itc s PRO 290 CO -0.19 -0.93 1.52 0.50 -0.33 0.00 0.00 177.00 177.57 3itc s ARG 291 N -2.78 4.25 0.68 5.54 3.52 -1.26 -5.00 118.95 123.90 3itc s ARG 291 Ca 0.68 2.20 -0.15 0.00 -0.13 0.00 0.00 55.73 58.33 3itc s ARG 291 Cb -0.37 -3.42 0.01 0.00 -1.56 0.00 0.00 34.95 29.62 3itc s ARG 291 CO 0.44 -0.60 1.14 -2.14 -0.81 0.00 0.00 175.30 173.33 3itc s PRO 292 N 1.91 2.57 -0.14 5.12 0.02 -1.26 -5.02 135.00 138.20 3itc s PRO 292 Ca 0.69 1.51 0.02 0.00 0.02 0.00 0.00 61.00 63.25 3itc s PRO 292 Cb -0.38 -1.91 0.01 0.00 0.02 0.00 0.00 34.50 32.24 3itc s PRO 292 CO 0.30 -1.45 -0.22 0.08 -0.33 0.00 0.00 177.00 175.39 3itc s VAL 293 N -2.22 2.03 0.64 3.83 1.01 -1.26 -4.85 120.40 119.58 3itc s VAL 293 Ca 0.69 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 61.62 3itc s VAL 293 Cb -0.23 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.35 3itc s VAL 293 CO 0.43 0.54 1.01 0.00 0.00 0.00 0.00 175.10 177.08 3itc s ALA 294 N 0.85 3.08 0.30 5.51 0.00 -1.26 -4.93 121.76 125.30 3itc s ALA 294 Ca -0.06 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.51 3itc s ALA 294 Cb -0.15 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 3itc s ALA 294 CO -0.02 -0.92 0.12 0.95 0.00 0.00 0.00 175.76 175.89 3itc s THR 295 N -3.19 0.50 0.25 0.00 -4.23 -1.26 -0.20 115.64 107.52 3itc s THR 295 Ca 0.56 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.03 3itc s THR 295 Cb -0.11 -2.57 0.23 0.00 1.34 0.00 0.00 72.50 71.39 3itc s THR 295 CO 0.50 0.00 1.84 0.58 -0.54 0.00 0.00 174.62 177.00 3itc h VAL 296 N 2.23 0.99 -0.50 2.29 2.07 -1.84 -1.51 116.25 119.98 3itc h VAL 296 Ca -0.36 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 66.87 3itc h VAL 296 Cb 1.25 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3itc h VAL 296 CO 0.57 0.17 0.33 -1.28 0.02 0.00 0.00 177.57 177.39 3itc h SER 297 N 0.93 0.49 -0.10 0.57 0.87 -1.96 -0.64 113.55 113.71 3itc h SER 297 Ca 0.40 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.97 3itc h SER 297 Cb 0.27 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3itc h SER 297 CO -0.21 0.34 0.02 0.74 -0.53 0.00 0.00 176.83 177.19 3itc h THR 298 N 0.57 0.96 -0.44 2.23 2.02 -1.67 -0.76 112.91 115.82 3itc h THR 298 Ca 0.20 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.32 3itc h THR 298 Cb 0.09 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 3itc h THR 298 CO -0.05 0.01 0.12 0.58 0.37 0.00 0.00 175.52 176.56 3itc h VAL 299 N 0.07 1.23 -0.79 3.16 2.07 -1.29 -2.62 116.25 118.07 3itc h VAL 299 Ca 0.04 -0.77 0.09 0.00 0.82 0.00 0.00 66.70 66.88 3itc h VAL 299 Cb 0.04 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 3itc h VAL 299 CO -0.06 0.27 0.52 0.00 0.02 0.00 0.00 177.57 178.32 3itc h ALA 300 N 0.98 1.73 -0.90 1.67 0.00 -0.91 -1.00 119.26 120.83 3itc h ALA 300 Ca 0.14 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3itc h ALA 300 Cb 0.29 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3itc h ALA 300 CO -0.00 0.12 0.59 -0.44 0.00 0.00 0.00 179.25 179.52 3itc h ASP 301 N 0.76 0.99 -0.30 0.00 3.45 -0.76 0.06 116.42 120.62 3itc h ASP 301 Ca 0.36 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.80 3itc h ASP 301 Cb 0.40 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 3itc h ASP 301 CO -0.14 0.69 0.16 0.45 -1.57 0.00 0.00 179.24 178.83 3itc h HIS 302 N 1.16 0.42 -0.43 4.55 3.86 -1.04 -2.55 115.15 121.12 3itc h HIS 302 Ca 0.35 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.48 3itc h HIS 302 Cb -0.03 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 3itc h HIS 302 CO -0.00 0.36 -0.03 -0.07 0.86 0.00 0.00 177.93 179.05 3itc h LEU 303 N 0.36 0.69 -0.49 2.43 3.38 -0.79 0.80 115.31 121.69 3itc h LEU 303 Ca 0.10 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3itc h LEU 303 Cb 0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3itc h LEU 303 CO -0.02 0.77 0.31 0.44 0.09 0.00 0.00 178.44 180.04 3itc h ASP 304 N 0.67 0.57 -0.22 -0.43 3.45 -0.92 0.51 116.42 120.05 3itc h ASP 304 Ca 0.13 -0.03 -0.09 0.00 0.43 0.00 0.00 57.03 57.46 3itc h ASP 304 Cb 0.45 -0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 39.08 3itc h ASP 304 CO 0.02 0.44 -0.23 -0.74 -1.57 0.00 0.00 179.24 177.16 3itc h HIS 305 N 0.66 0.65 -0.59 4.55 2.76 -0.97 -2.24 115.15 119.97 3itc h HIS 305 Ca 0.18 -0.20 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 3itc h HIS 305 Cb -0.04 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 28.75 3itc h HIS 305 CO -0.04 0.89 0.32 0.52 -1.30 0.00 0.00 177.93 178.32 3itc h MET 306 N 0.22 0.81 -0.54 5.26 2.86 -0.77 -0.09 114.93 122.69 3itc h MET 306 Ca 0.03 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3itc h MET 306 Cb 0.78 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 3itc h MET 306 CO 0.06 0.60 0.27 -0.09 1.06 0.00 0.00 176.91 178.81 3itc h ARG 307 N 0.82 0.76 -0.63 1.72 2.43 -0.77 0.46 114.38 119.18 3itc h ARG 307 Ca 0.21 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 3itc h ARG 307 Cb 0.03 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3itc h ARG 307 CO -0.03 0.62 0.02 1.49 -1.51 0.00 0.00 179.97 180.56 3itc h GLU 308 N 0.72 1.09 0.09 0.20 4.81 -0.67 -0.79 114.58 120.02 3itc h GLU 308 Ca 0.19 -0.33 -0.23 0.00 -0.13 0.00 0.00 59.36 58.85 3itc h GLU 308 Cb 0.09 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3itc h GLU 308 CO -0.03 1.05 -1.18 0.28 -0.73 0.00 0.00 179.01 178.40 3itc h VAL 309 N 1.00 1.14 0.00 0.32 2.07 -0.82 -3.40 116.25 116.55 3itc h VAL 309 Ca 0.18 -2.37 -0.27 0.00 0.82 0.00 0.00 66.70 65.06 3itc h VAL 309 Cb 0.54 2.75 -0.05 0.00 -1.52 0.00 0.00 31.29 33.01 3itc h VAL 309 CO 0.03 0.63 -1.89 0.00 0.02 0.00 0.00 177.57 176.36 3itc n ALA 310 N -2.97 1.68 0.00 1.67 0.00 0.16 -4.49 120.51 116.56 3itc n ALA 310 Ca -0.24 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.31 3itc n ALA 310 Cb 0.81 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.62 3itc n ALA 310 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3itc n GLY 311 N 1.57 2.38 0.27 0.00 0.00 -0.30 -4.41 105.19 104.70 3itc n GLY 311 Ca -0.20 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.27 3itc n GLY 311 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3itc h VAL 312 N 0.00 0.53 0.00 1.61 3.04 -1.89 -1.99 116.25 117.56 3itc h VAL 312 Ca 0.00 -0.43 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 3itc h VAL 312 Cb 0.00 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 3itc h VAL 312 CO 0.00 0.09 0.00 0.47 -1.01 0.00 0.00 177.57 177.12 3itc n ASP 313 N -3.65 0.00 -0.59 3.17 8.00 -1.26 -3.72 116.55 118.50 3itc n ASP 313 Ca -0.02 -0.60 0.06 0.00 0.71 0.00 0.00 54.79 54.95 3itc n ASP 313 Cb 0.21 -0.07 0.17 0.00 -0.02 0.00 0.00 41.12 41.42 3itc n ASP 313 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3itc n HIS 314 N -1.07 0.00 -4.35 1.24 8.25 -0.75 -4.86 115.22 113.68 3itc n HIS 314 Ca 0.17 -1.28 -0.23 0.00 -0.26 0.00 0.00 57.72 56.12 3itc n HIS 314 Cb 0.11 -0.22 -0.13 0.00 1.12 0.00 0.00 29.99 30.87 3itc n HIS 314 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3itc s LEU 315 N -2.79 2.25 0.00 2.41 1.43 -1.24 -1.00 118.68 119.73 3itc s LEU 315 Ca 0.36 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 3itc s LEU 315 Cb 0.35 -0.79 0.00 0.00 0.03 0.00 0.00 46.19 45.78 3itc s LEU 315 CO -0.06 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.18 3itc n GLY 316 N 1.42 3.77 2.89 -3.19 0.00 -0.32 -4.37 105.19 105.40 3itc n GLY 316 Ca -0.19 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 44.67 3itc n GLY 316 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3itc s ILE 317 N -2.26 0.42 -0.32 -0.61 1.01 -1.26 -1.46 121.20 116.72 3itc s ILE 317 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.56 3itc s ILE 317 Cb 0.00 -0.44 0.13 0.00 0.01 0.00 0.00 42.46 42.16 3itc s ILE 317 CO 0.00 0.18 0.27 -0.83 0.00 0.00 0.00 174.94 174.56 3itc s GLY 318 N 0.71 0.18 0.46 6.18 0.00 0.86 -0.90 107.32 114.82 3itc s GLY 318 Ca -0.09 -0.89 0.21 0.00 0.00 0.00 0.00 44.72 43.95 3itc s GLY 318 CO -0.00 2.46 1.98 -1.33 0.00 0.00 0.00 173.10 176.20 3itc h GLY 319 N 7.79 0.00 -2.23 0.20 0.00 -1.75 -3.34 103.07 103.74 3itc h GLY 319 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.91 3itc h GLY 319 CO 0.31 0.00 -0.43 1.34 0.00 0.00 0.00 176.54 177.76 3itc n ASP 320 N -3.87 -5.17 -4.75 0.19 2.03 -0.65 -3.74 116.55 100.60 3itc n ASP 320 Ca -0.02 0.06 -0.35 0.00 0.52 0.00 0.00 54.79 55.01 3itc n ASP 320 Cb 0.30 -4.24 0.06 0.00 -0.72 0.00 0.00 41.12 36.51 3itc n ASP 320 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3itc s TYR 321 N -2.84 2.31 -0.32 -0.67 1.51 -1.24 -1.54 117.35 114.56 3itc s TYR 321 Ca 0.00 1.55 0.00 0.00 -1.01 0.00 0.00 57.07 57.61 3itc s TYR 321 Cb 0.00 -3.41 0.00 0.00 -0.11 0.00 0.00 41.96 38.44 3itc s TYR 321 CO 0.00 -2.25 0.00 -0.25 -1.11 0.00 0.00 175.55 171.94 3itc n ASP 322 N -2.17 -0.99 -0.02 2.29 8.00 -1.26 -0.43 116.55 121.97 3itc n ASP 322 Ca 0.13 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.77 3itc n ASP 322 Cb 0.50 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 3itc n ASP 322 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3itc n GLY 323 N -0.15 -1.12 3.24 0.44 0.00 -0.59 -4.46 105.19 102.55 3itc n GLY 323 Ca -0.03 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 3itc n GLY 323 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3itc s THR 324 N -0.18 -0.01 -0.05 2.61 -1.32 -1.20 -5.04 115.64 110.45 3itc s THR 324 Ca 0.01 0.04 0.14 0.00 -1.21 0.00 0.00 61.69 60.66 3itc s THR 324 Cb 0.00 -0.53 0.01 0.00 -1.51 0.00 0.00 72.50 70.48 3itc s THR 324 CO 0.01 0.02 1.45 1.55 -2.21 0.00 0.00 174.62 175.43 3itc h PRO 325 N 6.12 0.00 -6.58 7.08 0.13 -1.95 -3.46 132.00 133.34 3itc h PRO 325 Ca -0.31 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.17 3itc h PRO 325 Cb 1.18 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 3itc h PRO 325 CO 0.29 0.59 -0.77 -0.06 -0.23 0.00 0.00 178.00 177.83 3itc s PHE 326 N -3.00 2.56 0.06 1.56 0.40 -1.26 -5.14 117.98 113.17 3itc s PHE 326 Ca 0.03 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.12 3itc s PHE 326 Cb 0.09 -1.30 -0.04 0.00 0.51 0.00 0.00 43.02 42.28 3itc s PHE 326 CO 0.75 0.46 -0.05 0.95 0.70 0.00 0.00 175.22 178.03 3itc s THR 327 N -1.44 0.45 0.64 0.64 -4.23 -1.26 -4.44 115.64 106.00 3itc s THR 327 Ca 0.21 -1.60 -0.16 0.00 -1.18 0.00 0.00 61.69 58.96 3itc s THR 327 Cb -0.10 -1.25 -0.01 0.00 1.34 0.00 0.00 72.50 72.49 3itc s THR 327 CO 0.12 -0.77 1.14 -2.84 -0.54 0.00 0.00 174.62 171.74 3itc s PRO 328 N -3.12 2.82 0.26 3.99 0.02 -1.26 -4.77 135.00 132.93 3itc s PRO 328 Ca 0.03 1.54 -0.31 0.00 0.02 0.00 0.00 61.00 62.28 3itc s PRO 328 Cb 0.01 -1.94 -0.12 0.00 0.02 0.00 0.00 34.50 32.47 3itc s PRO 328 CO -0.05 -1.26 1.61 -0.25 -0.33 0.00 0.00 177.00 176.72 3itc n ASP 329 N -2.16 3.74 0.00 2.53 8.00 0.72 -1.70 116.55 127.69 3itc n ASP 329 Ca 0.11 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.73 3itc n ASP 329 Cb 0.51 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 3itc n ASP 329 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3itc n GLY 330 N 2.70 1.46 2.24 0.44 0.00 -1.26 -2.62 105.19 108.15 3itc n GLY 330 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 3itc n GLY 330 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3itc n LEU 331 N 0.00 2.44 0.29 0.99 4.77 -0.69 -4.64 117.00 120.16 3itc n LEU 331 Ca 0.00 -3.38 0.19 0.00 -0.03 0.00 0.00 56.01 52.79 3itc n LEU 331 Cb 0.00 0.11 0.86 0.00 -2.33 0.00 0.00 43.42 42.06 3itc n LEU 331 CO 0.00 1.26 1.05 1.23 -1.33 0.00 0.00 177.39 179.60 3itc h GLY 332 N 2.11 0.00 -0.85 -0.72 0.00 -1.87 -3.39 103.07 98.36 3itc h GLY 332 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.34 3itc h GLY 332 CO 0.30 0.00 0.28 2.09 0.00 0.00 0.00 176.54 179.21 3itc n ASP 333 N -3.04 -1.64 0.01 0.19 5.68 -1.26 -4.92 116.55 111.58 3itc n ASP 333 Ca -0.01 -2.07 0.05 0.00 -0.50 0.00 0.00 54.79 52.26 3itc n ASP 333 Cb 0.22 2.72 0.21 0.00 -1.14 0.00 0.00 41.12 43.13 3itc n ASP 333 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3itc n VAL 334 N -0.45 1.38 1.56 2.12 0.24 -0.86 -1.42 118.33 120.90 3itc n VAL 334 Ca -0.05 0.37 0.14 0.00 -2.04 0.00 0.00 64.34 62.75 3itc n VAL 334 Cb 0.45 -1.23 0.78 0.00 -1.47 0.00 0.00 33.84 32.37 3itc n VAL 334 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3itc n SER 335 N -1.57 0.00 0.02 -1.34 3.41 -1.22 -4.09 113.62 108.83 3itc n SER 335 Ca 0.02 -0.50 0.13 0.00 -0.26 0.00 0.00 58.87 58.26 3itc n SER 335 Cb 0.10 -0.15 0.44 0.00 -0.26 0.00 0.00 64.21 64.35 3itc n SER 335 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3itc n GLY 336 N 0.95 -1.45 0.36 5.00 0.00 -0.50 -4.06 105.19 105.49 3itc n GLY 336 Ca 0.17 -0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3itc n GLY 336 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3itc h TYR 337 N 0.00 1.08 -0.76 1.61 0.05 -1.74 -0.24 116.97 116.97 3itc h TYR 337 Ca 0.00 0.03 0.19 0.00 0.05 0.00 0.00 58.73 59.00 3itc h TYR 337 Cb 0.56 -0.34 -0.04 0.00 1.01 0.00 0.00 36.73 37.92 3itc h TYR 337 CO 0.00 0.40 0.53 -1.35 -1.05 0.00 0.00 178.16 176.69 3itc h PRO 338 N 0.91 0.17 -0.82 4.88 0.11 -1.77 -1.02 132.00 134.46 3itc h PRO 338 Ca 0.50 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.57 3itc h PRO 338 Cb 0.58 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.61 3itc h PRO 338 CO -0.26 0.11 0.41 -0.91 -0.21 0.00 0.00 178.00 177.14 3itc h ASN 339 N 0.17 1.05 -0.24 -2.05 2.35 -1.32 0.88 115.58 116.41 3itc h ASN 339 Ca 0.37 -0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.92 3itc h ASN 339 Cb 1.21 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 39.31 3itc h ASN 339 CO -0.06 0.87 -0.20 0.25 -1.65 0.00 0.00 177.43 176.63 3itc h LEU 340 N 1.15 0.59 -0.66 1.61 5.85 -1.29 -1.98 115.31 120.59 3itc h LEU 340 Ca 0.28 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3itc h LEU 340 Cb 0.09 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3itc h LEU 340 CO -0.04 0.93 0.36 0.40 -0.34 0.00 0.00 178.44 179.75 3itc h ILE 341 N 0.27 1.20 -0.83 4.05 1.08 -1.09 -1.77 117.51 120.42 3itc h ILE 341 Ca 0.04 -0.51 0.01 0.00 -0.39 0.00 0.00 64.86 64.01 3itc h ILE 341 Cb 0.74 0.35 -0.04 0.00 -3.07 0.00 0.00 36.82 34.80 3itc h ILE 341 CO 0.05 0.22 0.54 0.00 -0.69 0.00 0.00 178.15 178.28 3itc h ALA 342 N 1.18 1.06 -0.94 1.87 0.00 -0.79 -0.86 119.26 120.77 3itc h ALA 342 Ca 0.23 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3itc h ALA 342 Cb 0.03 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 3itc h ALA 342 CO -0.04 0.48 0.62 1.49 0.00 0.00 0.00 179.25 181.80 3itc h GLU 343 N 1.13 1.24 -0.50 0.00 4.57 -0.90 -1.20 114.58 118.92 3itc h GLU 343 Ca 0.30 -0.08 -0.13 0.00 -1.18 0.00 0.00 59.36 58.28 3itc h GLU 343 Cb -0.11 -0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 28.19 3itc h GLU 343 CO -0.06 0.82 -0.20 -0.07 -1.18 0.00 0.00 179.01 178.32 3itc h LEU 344 N 1.27 1.03 -0.85 1.64 3.38 -0.79 -1.28 115.31 119.71 3itc h LEU 344 Ca 0.34 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.98 3itc h LEU 344 Cb -0.14 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.27 3itc h LEU 344 CO -0.07 1.18 0.54 -0.07 0.09 0.00 0.00 178.44 180.11 3itc h LEU 345 N 0.87 0.87 -1.76 1.67 3.38 -0.83 -0.45 115.31 119.05 3itc h LEU 345 Ca 0.12 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3itc h LEU 345 Cb 0.78 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3itc h LEU 345 CO 0.06 0.57 -0.16 0.44 0.09 0.00 0.00 178.44 179.44 3itc h ASP 346 N 1.01 0.00 -0.17 -0.43 3.32 -0.52 -0.55 116.42 119.08 3itc h ASP 346 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 3itc h ASP 346 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3itc h ASP 346 CO -0.15 0.16 0.00 0.54 -1.72 0.00 0.00 179.24 178.07 3itc n ARG 347 N -3.93 1.58 -0.69 3.56 1.74 -0.55 -4.93 116.66 113.45 3itc n ARG 347 Ca -0.02 -0.89 0.00 0.00 -0.77 0.00 0.00 57.85 56.17 3itc n ARG 347 Cb 0.25 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 3itc n ARG 347 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3itc n GLY 348 N 1.02 0.64 3.77 -0.13 0.00 -0.21 -5.05 105.19 105.23 3itc n GLY 348 Ca 0.14 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3itc n GLY 348 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3itc s TRP 349 N -2.00 3.01 0.64 1.61 0.52 -0.27 -5.00 118.94 117.46 3itc s TRP 349 Ca 0.00 1.36 -0.08 0.00 0.02 0.00 0.00 56.10 57.40 3itc s TRP 349 Cb 0.00 -3.72 0.01 0.00 -1.15 0.00 0.00 33.47 28.62 3itc s TRP 349 CO 0.00 -2.01 0.99 -1.54 0.02 0.00 0.00 176.95 174.41 3itc s SER 350 N -0.38 5.48 0.27 2.95 1.04 -1.26 -4.57 113.70 117.23 3itc s SER 350 Ca 0.50 0.87 -0.04 0.00 0.48 0.00 0.00 55.95 57.76 3itc s SER 350 Cb -0.40 -1.76 0.35 0.00 0.10 0.00 0.00 66.02 64.31 3itc s SER 350 CO 0.53 -1.21 1.94 -0.61 0.98 0.00 0.00 173.24 174.86 3itc h GLN 351 N -0.40 1.22 -0.05 4.02 4.15 -1.99 -1.50 115.11 120.55 3itc h GLN 351 Ca -0.45 -0.07 -0.16 0.00 0.77 0.00 0.00 58.65 58.74 3itc h GLN 351 Cb 1.26 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 3itc h GLN 351 CO 0.62 0.80 -0.67 0.77 -1.93 0.00 0.00 178.83 178.42 3itc h SER 352 N 1.25 0.28 -0.88 -0.69 0.02 -1.99 -0.54 113.55 111.00 3itc h SER 352 Ca 0.35 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 3itc h SER 352 Cb -0.10 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.31 3itc h SER 352 CO -0.09 0.87 0.49 0.44 -1.14 0.00 0.00 176.83 177.40 3itc h ASP 353 N 0.17 1.10 0.33 3.07 3.32 -1.82 -2.07 116.42 120.53 3itc h ASP 353 Ca -0.02 -0.10 -0.21 0.00 0.02 0.00 0.00 57.03 56.73 3itc h ASP 353 Cb 1.21 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 3itc h ASP 353 CO 0.10 0.88 -0.85 -0.07 -1.72 0.00 0.00 179.24 177.58 3itc h LEU 354 N 1.24 0.48 -1.49 1.55 3.38 -1.10 -1.72 115.31 117.64 3itc h LEU 354 Ca 0.31 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3itc h LEU 354 Cb 0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3itc h LEU 354 CO -0.05 1.14 0.02 0.00 0.09 0.00 0.00 178.44 179.63 3itc h ALA 355 N 0.84 1.59 -0.14 1.53 0.00 -0.88 -1.09 119.26 121.11 3itc h ALA 355 Ca -0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3itc h ALA 355 Cb 1.47 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 3itc h ALA 355 CO 0.15 0.30 -0.12 0.87 0.00 0.00 0.00 179.25 180.45 3itc h LYS 356 N 0.34 0.33 -0.42 0.00 1.57 -1.26 0.11 116.57 117.23 3itc h LYS 356 Ca 0.08 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3itc h LYS 356 Cb 0.20 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 3itc h LYS 356 CO 0.00 0.70 0.19 1.25 -0.57 0.00 0.00 179.45 181.02 3itc h LEU 357 N -0.04 0.25 0.00 2.94 5.85 -1.04 -1.53 115.31 121.73 3itc h LEU 357 Ca 0.03 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3itc h LEU 357 Cb 0.63 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 3itc h LEU 357 CO 0.03 0.18 -0.12 0.71 -0.34 0.00 0.00 178.44 178.90 3itc h THR 358 N 0.38 1.33 0.00 1.05 1.35 -1.27 -3.38 112.91 112.36 3itc h THR 358 Ca 0.19 -2.04 -0.03 0.00 -0.55 0.00 0.00 66.41 63.99 3itc h THR 358 Cb 0.13 2.54 -0.00 0.00 -1.73 0.00 0.00 68.15 69.09 3itc h THR 358 CO -0.16 0.45 -0.71 1.87 -0.25 0.00 0.00 175.52 176.72 3itc n TRP 359 N -4.63 0.00 0.09 4.73 -0.00 -0.70 -0.58 117.44 116.35 3itc n TRP 359 Ca -0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.35 3itc n TRP 359 Cb 0.40 -0.08 0.12 0.00 -0.00 0.00 0.00 31.31 31.75 3itc n TRP 359 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 3itc h LYS 360 N -0.10 0.22 -0.57 5.87 1.57 -0.97 -2.79 116.57 119.80 3itc h LYS 360 Ca -0.04 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.51 3itc h LYS 360 Cb 0.66 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 3itc h LYS 360 CO -0.02 0.76 0.04 -0.91 -0.57 0.00 0.00 179.45 178.75 3itc h ASN 361 N 0.16 0.94 -0.49 0.86 2.35 -1.52 -0.85 115.58 117.04 3itc h ASN 361 Ca -0.01 -0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 55.43 3itc h ASN 361 Cb 1.12 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.21 3itc h ASN 361 CO 0.09 1.00 0.22 0.00 -1.65 0.00 0.00 177.43 177.09 3itc h ALA 362 N 0.98 0.63 -0.61 -0.83 0.00 -1.76 -0.81 119.26 116.87 3itc h ALA 362 Ca 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3itc h ALA 362 Cb 0.49 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3itc h ALA 362 CO 0.02 0.22 0.25 0.28 0.00 0.00 0.00 179.25 180.02 3itc h VAL 363 N 0.65 1.23 -0.49 0.00 2.07 -1.32 -2.32 116.25 116.07 3itc h VAL 363 Ca 0.17 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 67.01 3itc h VAL 363 Cb 0.15 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3itc h VAL 363 CO -0.02 0.28 0.28 -0.09 0.02 0.00 0.00 177.57 178.04 3itc h ARG 364 N 0.85 0.54 -0.59 1.57 2.43 -0.84 -1.18 114.38 117.17 3itc h ARG 364 Ca 0.21 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 3itc h ARG 364 Cb 0.19 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3itc h ARG 364 CO -0.02 0.36 0.04 0.28 -1.51 0.00 0.00 179.97 179.12 3itc h VAL 365 N 0.56 1.26 -0.36 0.20 2.07 -1.04 0.68 116.25 119.62 3itc h VAL 365 Ca 0.20 -1.08 -0.16 0.00 0.82 0.00 0.00 66.70 66.48 3itc h VAL 365 Cb 0.04 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3itc h VAL 365 CO -0.10 0.39 -0.42 0.25 0.02 0.00 0.00 177.57 177.72 3itc h LEU 366 N 0.92 0.99 -0.75 2.57 5.85 -1.26 -1.57 115.31 122.04 3itc h LEU 366 Ca 0.17 -0.48 0.06 0.00 0.84 0.00 0.00 57.88 58.48 3itc h LEU 366 Cb 0.50 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 3itc h LEU 366 CO 0.02 1.27 0.44 -0.78 -0.34 0.00 0.00 178.44 179.05 3itc h ASP 367 N 0.72 0.66 -0.73 1.25 1.82 -0.92 -1.81 116.42 117.42 3itc h ASP 367 Ca 0.05 0.03 -0.05 0.00 -0.39 0.00 0.00 57.03 56.67 3itc h ASP 367 Cb 1.02 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.89 3itc h ASP 367 CO 0.10 0.42 0.26 0.00 -1.61 0.00 0.00 179.24 178.41 3itc h ALA 368 N 1.38 1.06 -0.81 -0.78 0.00 -0.53 -0.39 119.26 119.19 3itc h ALA 368 Ca 0.34 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3itc h ALA 368 Cb 0.21 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3itc h ALA 368 CO -0.19 0.65 0.41 0.00 0.00 0.00 0.00 179.25 180.12 3itc h ALA 369 N 1.19 1.20 -0.69 0.00 0.00 -0.80 -0.26 119.26 119.90 3itc h ALA 369 Ca 0.24 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3itc h ALA 369 Cb 0.26 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3itc h ALA 369 CO -0.01 0.63 0.26 0.93 0.00 0.00 0.00 179.25 181.05 3itc h GLU 370 N 1.14 1.03 -0.26 0.00 5.08 -0.79 -1.43 114.58 119.35 3itc h GLU 370 Ca 0.28 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3itc h GLU 370 Cb 0.08 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3itc h GLU 370 CO -0.04 0.85 -0.03 0.22 -1.00 0.00 0.00 179.01 179.01 3itc h ASP 371 N 1.00 0.47 -0.65 1.42 -0.00 -0.62 -0.68 116.42 117.36 3itc h ASP 371 Ca 0.23 -0.34 0.01 0.00 -0.00 0.00 0.00 57.03 56.93 3itc h ASP 371 Cb 0.22 -0.13 -0.03 0.00 -0.00 0.00 0.00 39.33 39.39 3itc h ASP 371 CO -0.02 0.70 0.42 0.58 -0.00 0.00 0.00 179.24 180.92 3itc h VAL 372 N 0.24 1.15 -0.71 2.25 2.07 -0.98 -2.60 116.25 117.67 3itc h VAL 372 Ca 0.07 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.32 3itc h VAL 372 Cb 0.47 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 3itc h VAL 372 CO 0.02 0.16 0.45 -1.28 0.02 0.00 0.00 177.57 176.93 3itc h SER 373 N 0.86 0.73 -0.53 0.57 0.87 -1.07 -1.28 113.55 113.71 3itc h SER 373 Ca 0.24 -0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.86 3itc h SER 373 Cb -0.07 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 61.67 3itc h SER 373 CO -0.06 0.51 0.24 0.03 -0.53 0.00 0.00 176.83 177.02 3itc h ARG 374 N 0.87 0.46 -0.39 2.24 3.08 -0.75 0.11 114.38 120.00 3itc h ARG 374 Ca 0.28 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.23 3itc h ARG 374 Cb 0.02 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3itc h ARG 374 CO -0.11 0.30 -0.05 0.78 -1.07 0.00 0.00 179.97 179.83 3itc h GLY 375 N 0.47 0.78 1.66 0.04 0.00 -1.14 -2.27 103.07 102.61 3itc h GLY 375 Ca 0.24 -0.61 -0.16 0.00 0.00 0.00 0.00 47.33 46.80 3itc h GLY 375 CO -0.20 0.56 -0.65 1.41 0.00 0.00 0.00 176.54 177.67 3itc h LEU 376 N 0.54 0.40 -1.01 3.11 3.38 -0.89 -1.97 115.31 118.86 3itc h LEU 376 Ca 0.10 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 3itc h LEU 376 Cb 0.55 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3itc h LEU 376 CO 0.03 0.94 -0.37 0.03 0.09 0.00 0.00 178.44 179.16 3itc h ARG 377 N 0.25 0.24 0.00 1.13 3.08 -0.73 -1.78 114.38 116.57 3itc h ARG 377 Ca -0.01 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 59.83 3itc h ARG 377 Cb 1.19 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 3itc h ARG 377 CO 0.11 0.58 -0.48 0.00 -1.07 0.00 0.00 179.97 179.10 3itc h ALA 378 N 1.42 0.85 0.00 0.04 0.00 -1.25 -3.34 119.26 116.98 3itc h ALA 378 Ca 0.02 -0.44 -0.24 0.00 0.00 0.00 0.00 54.91 54.26 3itc h ALA 378 Cb 0.75 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3itc h ALA 378 CO 0.06 0.60 -1.25 0.00 0.00 0.00 0.00 179.25 178.66 3itc h ALA 379 N 1.52 0.49 -2.93 0.00 0.00 -0.56 -3.48 119.26 114.29 3itc h ALA 379 Ca -0.00 -1.10 0.01 0.00 0.00 0.00 0.00 54.91 53.82 3itc h ALA 379 Cb 1.12 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 3itc h ALA 379 CO 0.06 1.36 0.11 -0.98 0.00 0.00 0.00 179.25 179.80 3itc s ARG 380 N -2.67 1.55 0.80 0.00 1.70 -0.84 -5.09 118.95 114.40 3itc s ARG 380 Ca -0.01 -0.92 -0.08 0.00 -0.47 0.00 0.00 55.73 54.25 3itc s ARG 380 Cb 0.09 0.56 0.14 0.00 -0.57 0.00 0.00 34.95 35.17 3itc s ARG 380 CO 0.82 -0.68 1.12 0.20 -1.08 0.00 0.00 175.30 175.68 3itc s GLY 381 N -2.90 1.75 0.63 3.88 0.00 -1.26 -4.53 107.32 104.89 3itc s GLY 381 Ca 0.11 -1.33 -0.15 0.00 0.00 0.00 0.00 44.72 43.34 3itc s GLY 381 CO 0.01 -0.73 1.08 2.56 0.00 0.00 0.00 173.10 176.03 3itc s PRO 382 N -5.44 3.04 0.25 2.90 0.04 -1.26 -4.99 135.00 129.53 3itc s PRO 382 Ca 0.68 1.29 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 3itc s PRO 382 Cb -0.06 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 3itc s PRO 382 CO 0.48 -1.04 1.00 0.45 0.04 0.00 0.00 177.00 177.92 3itc s SER 383 N -2.71 7.51 -0.16 6.66 0.15 -1.26 -4.95 113.70 118.94 3itc s SER 383 Ca 0.65 2.05 0.17 0.00 0.70 0.00 0.00 55.95 59.52 3itc s SER 383 Cb -0.18 -2.61 0.49 0.00 -1.71 0.00 0.00 66.02 62.00 3itc s SER 383 CO 0.40 0.05 1.38 -3.20 1.20 0.00 0.00 173.24 173.06 3itc n ASN 384 N 1.48 3.64 -4.78 5.45 5.15 -1.26 -4.80 115.26 120.14 3itc n ASN 384 Ca -0.01 -2.97 -0.34 0.00 -0.60 0.00 0.00 54.58 50.66 3itc n ASN 384 Cb 0.46 -0.51 0.01 0.00 -0.53 0.00 0.00 39.78 39.22 3itc n ASN 384 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3itc s ALA 385 N -2.73 2.64 0.31 5.20 0.00 -1.26 -5.06 121.76 120.87 3itc s ALA 385 Ca 0.40 0.65 0.10 0.00 0.00 0.00 0.00 51.96 53.11 3itc s ALA 385 Cb 0.32 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 3itc s ALA 385 CO 0.08 -0.90 -0.06 0.95 0.00 0.00 0.00 175.76 175.84 3itc s THR 386 N -2.07 2.67 0.27 0.00 -4.23 -1.26 -4.70 115.64 106.32 3itc s THR 386 Ca 0.69 -2.11 0.02 0.00 -1.18 0.00 0.00 61.69 59.11 3itc s THR 386 Cb -0.21 -2.66 0.05 0.00 1.34 0.00 0.00 72.50 71.02 3itc s THR 386 CO 0.32 -0.28 1.70 -0.29 -0.54 0.00 0.00 174.62 175.53 3itc h ILE 387 N 1.97 1.28 -0.82 2.99 2.10 -1.97 -1.86 117.51 121.18 3itc h ILE 387 Ca -0.42 -1.35 0.04 0.00 1.08 0.00 0.00 64.86 64.21 3itc h ILE 387 Cb 1.25 1.42 -0.05 0.00 -1.09 0.00 0.00 36.82 38.35 3itc h ILE 387 CO 0.65 0.42 0.53 -0.33 -1.08 0.00 0.00 178.15 178.34 3itc h GLU 388 N 0.41 0.99 0.23 2.19 3.07 -1.95 0.32 114.58 119.83 3itc h GLU 388 Ca 0.05 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 3itc h GLU 388 Cb 0.72 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 3itc h GLU 388 CO 0.06 0.65 -0.11 1.96 -1.40 0.00 0.00 179.01 180.17 3itc h GLN 389 N 1.02 -0.30 0.07 2.33 4.20 -1.81 -0.38 115.11 120.25 3itc h GLN 389 Ca 0.33 0.02 -0.31 0.00 0.06 0.00 0.00 58.65 58.75 3itc h GLN 389 Cb 0.02 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3itc h GLN 389 CO -0.12 -0.04 -1.65 -0.07 -0.67 0.00 0.00 178.83 176.28 3itc h LEU 390 N -0.54 0.25 0.00 1.46 3.38 -1.20 -3.38 115.31 115.28 3itc h LEU 390 Ca -0.03 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3itc h LEU 390 Cb 0.40 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3itc h LEU 390 CO 0.05 1.37 -1.00 0.47 0.09 0.00 0.00 178.44 179.41 3itc n ASP 391 N -3.32 0.84 0.00 -0.43 9.92 0.11 -4.63 116.55 119.03 3itc n ASP 391 Ca -0.19 -0.73 0.00 0.00 -0.53 0.00 0.00 54.79 53.34 3itc n ASP 391 Cb 1.04 1.15 0.00 0.00 -0.64 0.00 0.00 41.12 42.67 3itc n ASP 391 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94