#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3itt h ARG 5 N 0.00 0.18 -5.13 -1.08 2.47 -1.93 -3.40 114.38 105.50 3itt h ARG 5 Ca 0.00 -0.05 -0.65 0.00 -1.26 0.00 0.00 59.98 58.02 3itt h ARG 5 Cb 0.00 -0.02 -0.27 0.00 -1.65 0.00 0.00 29.97 28.03 3itt h ARG 5 CO 0.00 0.37 -0.73 0.42 0.56 0.00 0.00 179.97 180.59 3itt s ILE 6 N -4.61 3.31 0.12 2.04 -1.09 -1.26 -5.01 121.20 114.70 3itt s ILE 6 Ca -0.05 -0.54 -0.34 0.00 -2.23 0.00 0.00 60.65 57.50 3itt s ILE 6 Cb 0.15 -2.46 -0.13 0.00 -1.58 0.00 0.00 42.46 38.43 3itt s ILE 6 CO 0.73 0.46 1.63 0.00 -1.23 0.00 0.00 174.94 176.53 3itt n ALA 7 N 4.27 1.32 -0.26 9.38 0.00 -1.26 -4.87 120.51 129.08 3itt n ALA 7 Ca -0.18 0.42 0.11 0.00 0.00 0.00 0.00 53.44 53.78 3itt n ALA 7 Cb 0.52 -2.38 0.36 0.00 0.00 0.00 0.00 19.45 17.95 3itt n ALA 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3itt h GLN 8 N 6.48 0.71 -0.09 0.00 4.20 -1.98 -0.56 115.11 123.87 3itt h GLN 8 Ca -0.45 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.17 3itt h GLN 8 Cb 1.26 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 3itt h GLN 8 CO 0.90 0.47 -0.15 0.38 -0.67 0.00 0.00 178.83 179.76 3itt h ASP 9 N 0.73 0.14 -0.16 1.46 2.03 -1.99 -0.22 116.42 118.41 3itt h ASP 9 Ca 0.43 -0.03 -0.06 0.00 -0.73 0.00 0.00 57.03 56.65 3itt h ASP 9 Cb 0.63 -0.04 -0.00 0.00 -0.83 0.00 0.00 39.33 39.09 3itt h ASP 9 CO -0.19 0.31 -0.12 0.58 -1.03 0.00 0.00 179.24 178.79 3itt h VAL 10 N 0.14 1.33 -0.32 4.15 2.07 -1.48 -1.14 116.25 121.00 3itt h VAL 10 Ca 0.03 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.31 3itt h VAL 10 Cb 0.36 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 3itt h VAL 10 CO 0.02 0.37 0.20 0.58 0.02 0.00 0.00 177.57 178.76 3itt h VAL 11 N 0.01 1.11 -0.44 2.57 2.07 -1.02 -0.75 116.25 119.79 3itt h VAL 11 Ca 0.03 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 3itt h VAL 11 Cb 0.63 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3itt h VAL 11 CO 0.03 0.11 -0.01 0.00 0.02 0.00 0.00 177.57 177.72 3itt h ALA 12 N 1.08 1.15 -0.23 1.67 0.00 -1.06 -1.29 119.26 120.58 3itt h ALA 12 Ca 0.12 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3itt h ALA 12 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3itt h ALA 12 CO -0.02 0.55 -0.05 -0.09 0.00 0.00 0.00 179.25 179.64 3itt h ARG 13 N 0.68 0.44 0.00 0.00 2.43 -0.88 -1.09 114.38 115.96 3itt h ARG 13 Ca 0.13 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3itt h ARG 13 Cb 0.44 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3itt h ARG 13 CO 0.02 0.67 0.00 0.93 -1.51 0.00 0.00 179.97 180.07 3itt h GLU 14 N 0.18 0.00 0.10 0.20 4.39 -1.01 -1.86 114.58 116.58 3itt h GLU 14 Ca 0.06 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.55 3itt h GLU 14 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3itt h GLU 14 CO 0.02 0.00 -1.01 -0.91 -1.16 0.00 0.00 179.01 175.95 3itt h ASN 15 N 0.00 0.32 -0.42 1.42 4.21 -1.10 -3.29 115.58 116.72 3itt h ASN 15 Ca 0.00 -0.87 -0.03 0.00 1.21 0.00 0.00 56.30 56.61 3itt h ASN 15 Cb 0.60 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.67 3itt h ASN 15 CO 0.00 1.45 0.18 0.44 -1.29 0.00 0.00 177.43 178.20 3itt h ASP 16 N -0.49 0.63 0.08 5.81 3.32 -1.12 0.13 116.42 124.78 3itt h ASP 16 Ca -0.21 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 3itt h ASP 16 Cb 1.58 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.96 3itt h ASP 16 CO 0.06 0.58 -0.06 -0.09 -1.72 0.00 0.00 179.24 178.01 3itt h ARG 17 N 0.68 0.00 -0.10 3.56 2.43 -1.45 -2.86 114.38 116.64 3itt h ARG 17 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3itt h ARG 17 Cb 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3itt h ARG 17 CO -0.01 0.06 0.00 0.54 -1.51 0.00 0.00 179.97 179.05 3itt n ARG 18 N -4.28 1.39 -0.30 0.20 1.74 -0.74 -4.74 116.66 109.93 3itt n ARG 18 Ca -0.03 -1.33 -0.05 0.00 -0.77 0.00 0.00 57.85 55.67 3itt n ARG 18 Cb 0.14 -1.13 0.07 0.00 -1.02 0.00 0.00 32.46 30.52 3itt n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3itt h ALA 19 N 1.14 1.05 -0.22 7.54 0.00 -0.52 -2.45 119.26 125.80 3itt h ALA 19 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3itt h ALA 19 Cb 0.44 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3itt h ALA 19 CO 0.00 0.59 0.10 1.03 0.00 0.00 0.00 179.25 180.97 3itt h SER 20 N 1.15 0.30 -0.72 0.00 0.87 -1.85 -1.63 113.55 111.67 3itt h SER 20 Ca 0.28 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 3itt h SER 20 Cb 0.09 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 3itt h SER 20 CO -0.04 0.37 0.28 0.00 -0.53 0.00 0.00 176.83 176.91 3itt h ALA 21 N 0.94 0.94 -0.66 6.23 0.00 -1.89 -2.66 119.26 122.17 3itt h ALA 21 Ca 0.08 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3itt h ALA 21 Cb 0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3itt h ALA 21 CO -0.01 0.57 0.17 1.25 0.00 0.00 0.00 179.25 181.23 3itt h LEU 22 N 1.04 0.99 -0.75 0.00 5.85 -1.31 -1.44 115.31 119.68 3itt h LEU 22 Ca 0.24 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3itt h LEU 22 Cb 0.23 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 3itt h LEU 22 CO -0.02 0.96 0.47 0.50 -0.34 0.00 0.00 178.44 180.01 3itt h LYS 23 N 0.97 0.89 -0.33 1.25 3.64 -1.08 0.26 116.57 122.17 3itt h LYS 23 Ca 0.21 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 3itt h LYS 23 Cb 0.35 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3itt h LYS 23 CO 0.00 0.59 0.00 0.93 -2.27 0.00 0.00 179.45 178.70 3itt h GLU 24 N 0.91 0.58 -0.32 1.90 4.39 -1.16 -1.32 114.58 119.57 3itt h GLU 24 Ca 0.30 -0.18 -0.13 0.00 0.34 0.00 0.00 59.36 59.69 3itt h GLU 24 Cb 0.03 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 3itt h GLU 24 CO -0.12 0.71 -0.33 -0.44 -1.16 0.00 0.00 179.01 177.67 3itt h ASP 25 N 0.39 0.74 -0.15 1.42 3.32 -0.92 -1.75 116.42 119.47 3itt h ASP 25 Ca 0.09 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 56.79 3itt h ASP 25 Cb 0.44 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3itt h ASP 25 CO 0.02 1.01 -0.08 0.22 -1.72 0.00 0.00 179.24 178.69 3itt h TYR 26 N 0.60 0.37 -0.80 4.55 3.20 -0.45 -1.37 116.97 123.07 3itt h TYR 26 Ca 0.06 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 3itt h TYR 26 Cb 0.85 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.00 3itt h TYR 26 CO 0.04 0.65 0.36 0.93 -1.64 0.00 0.00 178.16 178.50 3itt h GLU 27 N -0.02 1.16 -0.22 1.82 5.08 -1.23 0.15 114.58 121.33 3itt h GLU 27 Ca 0.03 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3itt h GLU 27 Cb 0.56 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3itt h GLU 27 CO 0.02 0.91 0.09 0.00 -1.00 0.00 0.00 179.01 179.04 3itt h ALA 28 N 1.25 0.28 -0.67 3.43 0.00 -1.26 -1.35 119.26 120.95 3itt h ALA 28 Ca 0.27 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3itt h ALA 28 Cb 0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3itt h ALA 28 CO -0.03 -0.13 0.18 1.25 0.00 0.00 0.00 179.25 180.51 3itt h LEU 29 N 0.21 0.97 -0.51 0.00 5.85 -0.91 -1.61 115.31 119.32 3itt h LEU 29 Ca 0.07 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.64 3itt h LEU 29 Cb 0.16 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3itt h LEU 29 CO -0.01 0.93 0.29 1.23 -0.34 0.00 0.00 178.44 180.54 3itt h GLY 30 N 1.06 0.71 1.02 3.75 0.00 -0.40 0.89 103.07 110.10 3itt h GLY 30 Ca 0.21 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3itt h GLY 30 CO -0.00 0.17 0.13 0.00 0.00 0.00 0.00 176.54 176.84 3itt h ALA 31 N 1.24 0.78 -0.43 3.60 0.00 -0.93 0.31 119.26 123.83 3itt h ALA 31 Ca 0.21 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3itt h ALA 31 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3itt h ALA 31 CO -0.11 0.50 0.15 -0.97 0.00 0.00 0.00 179.25 178.82 3itt h ASN 32 N 0.87 0.61 -0.26 0.00 -0.73 -0.82 -1.53 115.58 113.72 3itt h ASN 32 Ca 0.18 -0.19 -0.10 0.00 1.87 0.00 0.00 56.30 58.07 3itt h ASN 32 Cb 0.37 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.78 3itt h ASN 32 CO 0.00 0.64 -0.17 -0.07 -0.37 0.00 0.00 177.43 177.46 3itt h LEU 33 N 0.55 0.71 -0.92 0.34 3.38 -0.67 -2.57 115.31 116.13 3itt h LEU 33 Ca 0.14 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3itt h LEU 33 Cb 0.23 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3itt h LEU 33 CO -0.01 0.88 0.56 0.00 0.09 0.00 0.00 178.44 179.97 3itt h ALA 34 N 1.18 1.17 0.00 1.53 0.00 -0.59 0.27 119.26 122.81 3itt h ALA 34 Ca 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3itt h ALA 34 Cb 0.64 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3itt h ALA 34 CO 0.05 0.61 -0.10 0.00 0.00 0.00 0.00 179.25 179.81 3itt h ARG 35 N 1.26 0.00 -0.62 0.00 3.08 -0.94 -0.90 114.38 116.25 3itt h ARG 35 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 3itt h ARG 35 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3itt h ARG 35 CO -0.06 0.10 0.00 0.54 -1.07 0.00 0.00 179.97 179.47 3itt n ARG 36 N -3.55 2.76 -1.63 0.04 1.74 0.15 -4.93 116.66 111.25 3itt n ARG 36 Ca -0.02 -2.29 -0.10 0.00 -0.77 0.00 0.00 57.85 54.67 3itt n ARG 36 Cb 0.23 -1.60 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 3itt n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3itt n GLY 37 N 1.30 0.69 3.25 -0.13 0.00 -0.34 -5.02 105.19 104.94 3itt n GLY 37 Ca 0.21 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 3itt n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3itt s VAL 38 N -2.41 2.08 -0.48 1.61 1.01 0.72 -4.98 120.40 117.95 3itt s VAL 38 Ca 0.00 -1.04 -0.22 0.00 0.00 0.00 0.00 61.98 60.73 3itt s VAL 38 Cb 0.00 -1.77 0.04 0.00 0.00 0.00 0.00 36.38 34.65 3itt s VAL 38 CO 0.00 0.57 0.73 -0.62 0.00 0.00 0.00 175.10 175.77 3itt s ASP 39 N 0.06 6.32 0.51 3.32 -1.08 -1.26 -2.75 116.67 121.79 3itt s ASP 39 Ca -0.10 -0.42 0.22 0.00 -0.52 0.00 0.00 52.55 51.73 3itt s ASP 39 Cb -0.16 -2.35 1.32 0.00 -1.46 0.00 0.00 42.92 40.28 3itt s ASP 39 CO 0.06 -0.92 2.01 -0.29 0.52 0.00 0.00 175.17 176.54 3itt h ILE 40 N 5.93 0.79 -0.78 4.11 2.10 -1.93 -1.13 117.51 126.59 3itt h ILE 40 Ca -0.26 -0.02 -0.04 0.00 1.08 0.00 0.00 64.86 65.62 3itt h ILE 40 Cb 1.09 0.71 -0.04 0.00 -1.09 0.00 0.00 36.82 37.50 3itt h ILE 40 CO 0.96 0.01 0.34 -0.08 -1.08 0.00 0.00 178.15 178.31 3itt h GLU 41 N 0.07 1.15 -0.21 2.19 4.57 -1.98 -0.60 114.58 119.76 3itt h GLU 41 Ca 0.23 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 58.16 3itt h GLU 41 Cb 0.83 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 3itt h GLU 41 CO -0.02 0.92 -0.11 0.00 -1.18 0.00 0.00 179.01 178.62 3itt h ALA 42 N 1.18 1.42 -0.01 2.92 0.00 -1.63 -1.13 119.26 122.01 3itt h ALA 42 Ca 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3itt h ALA 42 Cb 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3itt h ALA 42 CO -0.03 0.40 -0.05 0.28 0.00 0.00 0.00 179.25 179.86 3itt h VAL 43 N 0.32 1.49 -0.65 0.00 2.07 -1.31 -3.01 116.25 115.18 3itt h VAL 43 Ca 0.06 -1.52 0.07 0.00 0.82 0.00 0.00 66.70 66.13 3itt h VAL 43 Cb 0.40 2.49 -0.06 0.00 -1.52 0.00 0.00 31.29 32.60 3itt h VAL 43 CO 0.02 0.40 0.32 0.74 0.02 0.00 0.00 177.57 179.08 3itt h THR 44 N -0.56 0.89 -0.89 2.57 2.02 -0.97 -0.38 112.91 115.60 3itt h THR 44 Ca -0.00 -0.20 0.07 0.00 0.77 0.00 0.00 66.41 67.05 3itt h THR 44 Cb 0.68 0.26 -0.06 0.00 -1.74 0.00 0.00 68.15 67.30 3itt h THR 44 CO 0.01 0.11 0.58 0.00 0.37 0.00 0.00 175.52 176.58 3itt h ALA 45 N 1.37 1.55 0.02 6.16 0.00 -1.24 0.10 119.26 127.21 3itt h ALA 45 Ca 0.30 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.95 3itt h ALA 45 Cb 0.27 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.83 3itt h ALA 45 CO -0.23 0.31 -0.97 0.87 0.00 0.00 0.00 179.25 179.24 3itt h LYS 46 N 0.99 0.63 -0.92 0.00 1.57 -1.20 -3.27 116.57 114.36 3itt h LYS 46 Ca 0.39 -0.70 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3itt h LYS 46 Cb 0.24 0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.71 3itt h LYS 46 CO -0.15 1.29 0.59 0.28 -0.57 0.00 0.00 179.45 180.88 3itt h VAL 47 N 0.26 1.24 0.00 0.50 2.07 -0.52 -1.38 116.25 118.43 3itt h VAL 47 Ca -0.13 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3itt h VAL 47 Cb 1.64 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3itt h VAL 47 CO 0.19 0.24 -0.04 -0.33 0.02 0.00 0.00 177.57 177.65 3itt h GLU 48 N 1.26 0.00 -0.24 1.57 5.08 -1.05 -2.26 114.58 118.94 3itt h GLU 48 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3itt h GLU 48 Cb -0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3itt h GLU 48 CO -0.07 0.04 0.00 1.63 -1.00 0.00 0.00 179.01 179.61 3itt n LYS 49 N -3.48 2.31 -2.96 2.33 5.02 -0.55 -4.92 118.16 115.91 3itt n LYS 49 Ca -0.02 -2.08 -0.41 0.00 -2.02 0.00 0.00 58.31 53.78 3itt n LYS 49 Cb 0.15 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.65 3itt n LYS 49 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3itt s PHE 50 N -1.60 3.41 0.07 2.13 5.36 -0.85 -5.04 117.98 121.45 3itt s PHE 50 Ca 0.33 1.16 0.07 0.00 -0.96 0.00 0.00 56.93 57.53 3itt s PHE 50 Cb 0.20 -2.94 -0.03 0.00 -0.34 0.00 0.00 43.02 39.91 3itt s PHE 50 CO 0.29 -0.21 -0.19 -0.06 -1.46 0.00 0.00 175.22 173.59 3itt s PHE 51 N 2.02 1.68 -0.03 10.12 0.08 -1.26 -4.73 117.98 125.86 3itt s PHE 51 Ca 0.35 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 57.02 3itt s PHE 51 Cb -0.16 -0.97 0.03 0.00 -0.57 0.00 0.00 43.02 41.35 3itt s PHE 51 CO 0.12 0.13 -0.01 0.54 -0.10 0.00 0.00 175.22 175.90 3itt s VAL 52 N -0.98 0.25 0.46 -0.44 0.11 -0.20 -4.72 120.40 114.89 3itt s VAL 52 Ca 0.06 0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 58.93 3itt s VAL 52 Cb -0.09 -0.33 -0.07 0.00 -1.53 0.00 0.00 36.38 34.35 3itt s VAL 52 CO 0.03 0.16 1.14 0.00 -3.33 0.00 0.00 175.10 173.10 3itt s ALA 53 N 1.01 2.94 -0.05 1.54 0.00 -0.57 -4.19 121.76 122.46 3itt s ALA 53 Ca -0.10 0.88 -0.02 0.00 0.00 0.00 0.00 51.96 52.72 3itt s ALA 53 Cb -0.14 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3itt s ALA 53 CO -0.01 -0.61 0.08 0.14 0.00 0.00 0.00 175.76 175.36 3itt s VAL 54 N -1.61 4.80 -0.11 0.00 -7.23 -0.61 -1.01 120.40 114.64 3itt s VAL 54 Ca 0.64 -0.24 -0.26 0.00 -1.81 0.00 0.00 61.98 60.31 3itt s VAL 54 Cb -0.27 -3.13 -0.02 0.00 0.56 0.00 0.00 36.38 33.52 3itt s VAL 54 CO 0.32 0.47 0.86 -2.16 -0.31 0.00 0.00 175.10 174.28 3itt s PRO 55 N -1.39 4.39 0.42 4.82 0.04 -1.25 -0.75 135.00 141.29 3itt s PRO 55 Ca 0.19 1.12 0.14 0.00 0.04 0.00 0.00 61.00 62.50 3itt s PRO 55 Cb -0.12 -3.52 1.02 0.00 0.04 0.00 0.00 34.50 31.92 3itt s PRO 55 CO 0.09 -0.19 1.94 0.66 0.04 0.00 0.00 177.00 179.54 3itt h SER 56 N 7.07 0.41 0.08 6.66 4.64 -1.74 0.70 113.55 131.37 3itt h SER 56 Ca -0.34 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3itt h SER 56 Cb 1.16 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3itt h SER 56 CO 0.81 0.22 -0.00 -2.67 -0.87 0.00 0.00 176.83 174.32 3itt n TRP 57 N -4.48 0.00 1.10 4.77 2.14 -1.26 -3.11 117.44 116.60 3itt n TRP 57 Ca 0.13 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.82 3itt n TRP 57 Cb 0.47 -0.04 0.16 0.00 -0.81 0.00 0.00 31.31 31.10 3itt n TRP 57 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 3itt n GLY 58 N 1.05 -0.48 0.12 -1.67 0.00 0.24 -4.05 105.19 100.39 3itt n GLY 58 Ca 0.22 -0.51 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 3itt n GLY 58 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3itt h VAL 59 N 1.40 1.19 -3.09 1.61 2.07 -1.62 -3.43 116.25 114.38 3itt h VAL 59 Ca 0.00 -2.57 -0.53 0.00 0.82 0.00 0.00 66.70 64.42 3itt h VAL 59 Cb 0.60 2.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 3itt h VAL 59 CO 0.00 0.66 -0.22 -0.83 0.02 0.00 0.00 177.57 177.20 3itt s GLY 60 N -4.54 1.89 0.24 2.17 0.00 -1.26 -4.65 107.32 101.18 3itt s GLY 60 Ca 0.02 -0.64 -0.30 0.00 0.00 0.00 0.00 44.72 43.81 3itt s GLY 60 CO 0.77 -0.55 1.44 -1.59 0.00 0.00 0.00 173.10 173.17 3itt s THR 61 N -1.96 2.67 0.14 0.90 2.01 -1.26 -4.62 115.64 113.53 3itt s THR 61 Ca 0.42 0.56 -0.01 0.00 0.31 0.00 0.00 61.69 62.97 3itt s THR 61 Cb -0.11 -3.36 0.03 0.00 0.01 0.00 0.00 72.50 69.07 3itt s THR 61 CO 0.29 0.09 0.20 0.61 -0.69 0.00 0.00 174.62 175.11 3itt n GLY 62 N 2.30 0.40 2.54 4.40 0.00 -0.30 -4.94 105.19 109.59 3itt n GLY 62 Ca 0.07 -1.92 -0.05 0.00 0.00 0.00 0.00 46.02 44.13 3itt n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3itt n GLY 63 N 3.54 1.15 3.23 -0.02 0.00 -1.18 -4.41 105.19 107.51 3itt n GLY 63 Ca 0.03 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 3itt n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3itt n THR 64 N -0.40 0.00 0.53 2.61 -2.24 -0.11 -4.58 114.28 110.09 3itt n THR 64 Ca -0.04 -2.14 0.07 0.00 -2.27 0.00 0.00 64.05 59.67 3itt n THR 64 Cb 0.40 0.44 0.32 0.00 -2.10 0.00 0.00 70.33 69.39 3itt n THR 64 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3itt n ARG 65 N -1.11 0.02 -0.02 -0.78 1.85 -1.26 -2.07 116.66 113.29 3itt n ARG 65 Ca -0.18 0.24 -0.06 0.00 -1.00 0.00 0.00 57.85 56.84 3itt n ARG 65 Cb 0.57 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 30.35 3itt n ARG 65 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3itt n PHE 66 N -1.48 0.83 0.00 2.89 3.72 -1.26 -3.71 117.46 118.46 3itt n PHE 66 Ca 0.04 0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.73 3itt n PHE 66 Cb 0.17 -1.12 0.00 0.00 -0.94 0.00 0.00 39.48 37.58 3itt n PHE 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3itt n ALA 67 N -2.54 0.00 -3.70 4.37 0.00 -1.07 -4.24 120.51 113.33 3itt n ALA 67 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.06 3itt n ALA 67 Cb 1.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 20.29 3itt n ALA 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3itt s ARG 68 N -2.00 0.70 -0.69 0.00 3.52 -1.08 -0.93 118.95 118.47 3itt s ARG 68 Ca 0.00 -0.00 -0.01 0.00 -0.13 0.00 0.00 55.73 55.59 3itt s ARG 68 Cb 0.00 -0.87 0.17 0.00 -1.56 0.00 0.00 34.95 32.69 3itt s ARG 68 CO 0.00 -0.18 0.51 -0.06 -0.81 0.00 0.00 175.30 174.76 3itt s PHE 69 N 1.38 3.52 0.51 5.12 0.40 -1.26 -3.26 117.98 124.39 3itt s PHE 69 Ca -0.04 -2.95 -0.23 0.00 -0.60 0.00 0.00 56.93 53.11 3itt s PHE 69 Cb -0.13 -3.09 -0.06 0.00 0.51 0.00 0.00 43.02 40.24 3itt s PHE 69 CO -0.03 -0.76 1.38 -1.25 0.70 0.00 0.00 175.22 175.27 3itt s PRO 70 N -0.64 3.37 0.00 0.24 0.04 -1.26 -4.95 135.00 131.80 3itt s PRO 70 Ca 0.21 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.54 3itt s PRO 70 Cb -0.15 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 31.97 3itt s PRO 70 CO -0.07 -1.03 0.00 0.41 0.04 0.00 0.00 177.00 176.35 3itt n GLY 71 N 0.66 0.78 3.94 0.56 0.00 -1.26 -4.96 105.19 104.91 3itt n GLY 71 Ca 0.08 -1.83 -0.26 0.00 0.00 0.00 0.00 46.02 44.02 3itt n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3itt s THR 72 N 1.14 5.23 -1.26 2.61 -4.23 -1.26 -4.43 115.64 113.44 3itt s THR 72 Ca 0.00 -0.51 -0.02 0.00 -1.18 0.00 0.00 61.69 59.98 3itt s THR 72 Cb 0.00 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 70.08 3itt s THR 72 CO 0.00 -0.20 0.22 0.61 -0.54 0.00 0.00 174.62 174.71 3itt n GLY 73 N -0.80 -0.25 3.78 3.99 0.00 -1.26 -4.77 105.19 105.88 3itt n GLY 73 Ca -0.06 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 3itt n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3itt s GLU 74 N -5.08 4.13 0.34 1.61 0.41 -1.26 -4.74 118.70 114.10 3itt s GLU 74 Ca 0.11 2.50 -0.29 0.00 -0.41 0.00 0.00 54.97 56.89 3itt s GLU 74 Cb -0.05 -2.97 -0.10 0.00 -1.78 0.00 0.00 34.13 29.23 3itt s GLU 74 CO 0.14 -0.49 1.38 -1.25 -0.49 0.00 0.00 175.26 174.54 3itt s PRO 75 N -2.06 4.27 0.04 0.39 0.04 -1.26 -4.83 135.00 131.59 3itt s PRO 75 Ca 0.52 2.34 0.26 0.00 0.04 0.00 0.00 61.00 64.16 3itt s PRO 75 Cb -0.45 -3.04 0.63 0.00 0.04 0.00 0.00 34.50 31.68 3itt s PRO 75 CO 0.61 -0.32 1.52 0.54 0.04 0.00 0.00 177.00 179.39 3itt n ARG 76 N 0.87 0.08 -1.40 4.56 1.74 -1.26 -4.96 116.66 116.29 3itt n ARG 76 Ca 0.01 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3itt n ARG 76 Cb 0.41 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 3itt n ARG 76 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3itt n GLY 77 N 1.45 0.64 0.32 -0.13 0.00 -1.26 -5.02 105.19 101.19 3itt n GLY 77 Ca 0.05 -0.76 -0.03 0.00 0.00 0.00 0.00 46.02 45.28 3itt n GLY 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3itt h ILE 78 N 0.73 1.23 -0.79 -0.61 6.09 -1.91 -1.99 117.51 120.26 3itt h ILE 78 Ca 0.00 -0.74 -0.04 0.00 -1.37 0.00 0.00 64.86 62.71 3itt h ILE 78 Cb 0.00 0.49 -0.03 0.00 0.47 0.00 0.00 36.82 37.75 3itt h ILE 78 CO 0.00 0.29 0.32 -0.26 -3.07 0.00 0.00 178.15 175.43 3itt h PHE 79 N 0.92 1.20 -0.39 2.19 0.04 -1.96 0.11 116.94 119.04 3itt h PHE 79 Ca 0.21 -0.09 -0.07 0.00 2.80 0.00 0.00 57.97 60.83 3itt h PHE 79 Cb 0.21 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 3itt h PHE 79 CO 0.02 0.90 -0.03 -0.44 -0.60 0.00 0.00 178.31 178.15 3itt h ASP 80 N 1.14 0.71 -0.67 2.17 3.32 -1.91 -2.19 116.42 118.99 3itt h ASP 80 Ca 0.26 -0.33 0.04 0.00 0.02 0.00 0.00 57.03 57.03 3itt h ASP 80 Cb 0.21 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 3itt h ASP 80 CO -0.02 0.87 0.40 0.11 -1.72 0.00 0.00 179.24 178.88 3itt h LYS 81 N 0.54 0.75 -0.68 3.56 1.57 -0.80 -0.93 116.57 120.58 3itt h LYS 81 Ca 0.11 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3itt h LYS 81 Cb 0.52 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 3itt h LYS 81 CO 0.03 0.50 0.36 -0.07 -0.57 0.00 0.00 179.45 179.70 3itt h LEU 82 N 0.77 0.86 -0.77 2.94 3.38 -0.63 0.66 115.31 122.52 3itt h LEU 82 Ca 0.28 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.22 3itt h LEU 82 Cb 0.08 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 3itt h LEU 82 CO -0.13 0.71 0.44 0.44 0.09 0.00 0.00 178.44 179.99 3itt h ASP 83 N 0.93 0.67 -0.02 -0.43 3.32 -0.67 -0.83 116.42 119.39 3itt h ASP 83 Ca 0.24 0.03 -0.17 0.00 0.02 0.00 0.00 57.03 57.15 3itt h ASP 83 Cb 0.06 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 3itt h ASP 83 CO -0.04 0.42 -0.57 0.44 -1.72 0.00 0.00 179.24 177.77 3itt h ASP 84 N 0.80 0.69 0.04 6.45 3.32 -0.63 -2.88 116.42 124.21 3itt h ASP 84 Ca 0.35 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 3itt h ASP 84 Cb 0.23 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3itt h ASP 84 CO -0.20 1.11 -0.09 0.00 -1.72 0.00 0.00 179.24 178.34 3itt h ALA 86 N 1.78 1.56 -0.23 0.00 0.00 -0.95 -1.96 119.26 119.47 3itt h ALA 86 Ca 0.03 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3itt h ALA 86 Cb 0.25 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3itt h ALA 86 CO 0.01 0.18 -0.21 0.28 0.00 0.00 0.00 179.25 179.51 3itt h VAL 87 N 0.00 1.32 -0.39 0.00 2.07 -1.27 -0.43 116.25 117.56 3itt h VAL 87 Ca -0.00 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.15 3itt h VAL 87 Cb 0.29 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3itt h VAL 87 CO 0.02 0.42 0.25 0.40 0.02 0.00 0.00 177.57 178.68 3itt h ILE 88 N 0.25 1.09 -0.41 4.57 2.04 -1.34 -1.37 117.51 122.34 3itt h ILE 88 Ca 0.04 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 3itt h ILE 88 Cb 0.76 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3itt h ILE 88 CO 0.05 0.09 0.05 -0.61 0.00 0.00 0.00 178.15 177.74 3itt h GLN 89 N 0.51 0.70 -0.75 2.37 5.75 -1.34 -0.26 115.11 122.09 3itt h GLN 89 Ca 0.14 -0.20 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 3itt h GLN 89 Cb -0.05 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.39 3itt h GLN 89 CO -0.04 0.75 0.39 0.37 -2.65 0.00 0.00 178.83 177.65 3itt h GLN 90 N 0.54 1.06 0.16 1.69 4.15 -0.82 0.46 115.11 122.35 3itt h GLN 90 Ca 0.12 -0.14 -0.31 0.00 0.77 0.00 0.00 58.65 59.10 3itt h GLN 90 Cb 0.40 -0.20 0.01 0.00 0.21 0.00 0.00 27.48 27.90 3itt h GLN 90 CO 0.01 0.80 -1.43 -0.07 -1.93 0.00 0.00 178.83 176.21 3itt h LEU 91 N 1.04 0.54 0.00 -2.39 3.38 -1.20 -3.37 115.31 113.32 3itt h LEU 91 Ca 0.26 -0.64 -0.35 0.00 0.09 0.00 0.00 57.88 57.24 3itt h LEU 91 Cb 0.07 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 3itt h LEU 91 CO -0.04 1.51 -2.18 0.35 0.09 0.00 0.00 178.44 178.17 3itt n THR 92 N -3.56 1.48 -1.55 0.22 -2.24 -0.11 -1.55 114.28 106.96 3itt n THR 92 Ca -0.14 -0.81 -0.18 0.00 -2.27 0.00 0.00 64.05 60.65 3itt n THR 92 Cb 1.06 -0.75 -0.07 0.00 -2.10 0.00 0.00 70.33 68.46 3itt n THR 92 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3itt n ARG 93 N -2.90 -1.24 -0.01 -0.78 5.12 0.16 -4.76 116.66 112.24 3itt n ARG 93 Ca -0.29 1.11 0.01 0.00 -1.93 0.00 0.00 57.85 56.75 3itt n ARG 93 Cb 1.11 -5.38 0.02 0.00 -1.16 0.00 0.00 32.46 27.05 3itt n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3itt n ALA 94 N 1.19 2.26 -3.03 7.54 0.00 -1.26 -4.79 120.51 122.42 3itt n ALA 94 Ca -0.18 -0.77 -0.18 0.00 0.00 0.00 0.00 53.44 52.31 3itt n ALA 94 Cb 0.59 -0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 3itt n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3itt n THR 95 N -0.12 0.61 0.29 0.00 -2.24 -1.26 -1.03 114.28 110.53 3itt n THR 95 Ca 0.01 -4.48 0.14 0.00 -2.27 0.00 0.00 64.05 57.46 3itt n THR 95 Cb 0.16 -0.30 0.67 0.00 -2.10 0.00 0.00 70.33 68.76 3itt n THR 95 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3itt h PRO 96 N 2.98 0.00 -6.58 -0.78 0.13 -1.87 -3.41 132.00 122.48 3itt h PRO 96 Ca 0.08 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.53 3itt h PRO 96 Cb 0.94 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.87 3itt h PRO 96 CO 0.56 0.00 -0.78 -0.80 -0.23 0.00 0.00 178.00 176.75 3itt s ASN 97 N -4.54 4.01 -0.04 1.44 0.02 -1.26 -0.06 114.94 114.51 3itt s ASN 97 Ca -0.00 -0.42 0.07 0.00 -1.02 0.00 0.00 52.86 51.49 3itt s ASN 97 Cb 0.09 -0.68 -0.02 0.00 0.02 0.00 0.00 41.25 40.66 3itt s ASN 97 CO 0.35 0.23 -0.26 -0.69 0.02 0.00 0.00 177.10 176.75 3itt s VAL 98 N -1.03 2.05 -0.25 1.60 1.01 -0.32 -1.57 120.40 121.89 3itt s VAL 98 Ca 0.17 -1.09 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 3itt s VAL 98 Cb -0.11 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 3itt s VAL 98 CO 0.08 0.58 0.19 -0.55 0.00 0.00 0.00 175.10 175.39 3itt s SER 99 N -0.43 6.12 0.38 3.32 0.15 0.07 -1.00 113.70 122.31 3itt s SER 99 Ca 0.04 0.11 -0.01 0.00 0.70 0.00 0.00 55.95 56.80 3itt s SER 99 Cb -0.12 -2.12 -0.03 0.00 -1.71 0.00 0.00 66.02 62.04 3itt s SER 99 CO 0.01 0.02 0.60 -0.76 1.20 0.00 0.00 173.24 174.31 3itt s LEU 100 N 1.27 3.91 -0.08 3.45 1.43 -1.25 -1.83 118.68 125.58 3itt s LEU 100 Ca 0.08 0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 3itt s LEU 100 Cb -0.14 -3.40 0.02 0.00 0.03 0.00 0.00 46.19 42.70 3itt s LEU 100 CO 0.06 -0.38 -0.08 -2.28 0.23 0.00 0.00 176.35 173.90 3itt s HIS 101 N -2.42 1.21 -0.08 0.29 2.46 -1.26 -1.71 115.29 113.79 3itt s HIS 101 Ca 0.42 -0.48 -0.02 0.00 0.47 0.00 0.00 55.06 55.45 3itt s HIS 101 Cb -0.10 -1.00 -0.03 0.00 -0.13 0.00 0.00 32.58 31.32 3itt s HIS 101 CO 0.38 -0.34 0.01 0.42 -2.47 0.00 0.00 174.74 172.74 3itt s ILE 102 N 1.19 4.33 -2.16 0.89 -1.09 -0.62 0.23 121.20 123.98 3itt s ILE 102 Ca -0.06 -0.26 0.20 0.00 -2.23 0.00 0.00 60.65 58.31 3itt s ILE 102 Cb -0.14 -2.83 0.51 0.00 -1.58 0.00 0.00 42.46 38.42 3itt s ILE 102 CO -0.02 0.59 1.65 -0.81 -1.23 0.00 0.00 174.94 175.12 3itt n PRO 103 N 2.07 1.38 -0.33 2.79 -0.04 -1.26 -2.55 135.00 137.06 3itt n PRO 103 Ca -0.18 -0.57 0.07 0.00 -0.04 0.00 0.00 63.50 62.78 3itt n PRO 103 Cb 0.54 -1.36 0.23 0.00 -0.04 0.00 0.00 33.50 32.87 3itt n PRO 103 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3itt h TRP 104 N 1.17 0.99 -0.61 0.54 6.55 -1.88 -2.08 115.95 120.63 3itt h TRP 104 Ca 0.00 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.87 3itt h TRP 104 Cb 0.26 -0.30 0.00 0.00 -0.86 0.00 0.00 29.16 28.25 3itt h TRP 104 CO 0.05 0.34 0.00 -0.25 -1.05 0.00 0.00 178.44 177.53 3itt n ASP 105 N -4.72 4.82 -4.72 -3.49 8.00 0.14 -4.73 116.55 111.84 3itt n ASP 105 Ca 0.18 -2.53 -0.42 0.00 0.71 0.00 0.00 54.79 52.73 3itt n ASP 105 Cb 0.39 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 40.88 3itt n ASP 105 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3itt n LYS 106 N 0.96 2.74 -3.65 -1.24 2.85 -0.78 -4.92 118.16 114.11 3itt n LYS 106 Ca 0.26 0.99 0.00 0.00 -1.05 0.00 0.00 58.31 58.50 3itt n LYS 106 Cb 0.92 -2.82 -0.01 0.00 -0.65 0.00 0.00 35.03 32.48 3itt n LYS 106 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3itt s ALA 107 N 0.93 -2.10 -0.31 0.58 0.00 -1.26 -5.00 121.76 114.60 3itt s ALA 107 Ca 0.73 0.57 -0.32 0.00 0.00 0.00 0.00 51.96 52.94 3itt s ALA 107 Cb -0.51 0.42 -0.09 0.00 0.00 0.00 0.00 23.12 22.94 3itt s ALA 107 CO 0.36 -1.05 2.22 -3.47 0.00 0.00 0.00 175.76 173.82 3itt n ASP 108 N -0.48 2.53 -0.21 0.00 2.03 -1.26 -4.79 116.55 114.38 3itt n ASP 108 Ca -0.08 0.29 0.21 0.00 0.52 0.00 0.00 54.79 55.73 3itt n ASP 108 Cb 0.62 -1.38 0.57 0.00 -0.72 0.00 0.00 41.12 40.22 3itt n ASP 108 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3itt h PRO 109 N 13.70 0.27 -0.49 -0.67 0.13 -1.96 0.51 132.00 143.49 3itt h PRO 109 Ca -0.32 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.76 3itt h PRO 109 Cb 1.29 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 3itt h PRO 109 CO 1.01 0.18 0.19 -0.22 -0.23 0.00 0.00 178.00 178.93 3itt h LYS 110 N 0.28 0.74 -0.34 0.86 1.63 -1.88 -0.75 116.57 117.11 3itt h LYS 110 Ca 0.44 -0.14 -0.14 0.00 -0.85 0.00 0.00 60.65 59.96 3itt h LYS 110 Cb 1.27 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.78 3itt h LYS 110 CO -0.12 0.67 -0.36 0.93 -3.45 0.00 0.00 179.45 177.11 3itt h GLU 111 N 0.65 0.78 -0.60 1.90 5.08 -1.34 -1.60 114.58 119.46 3itt h GLU 111 Ca 0.16 -0.39 0.03 0.00 -1.00 0.00 0.00 59.36 58.17 3itt h GLU 111 Cb 0.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 3itt h GLU 111 CO -0.01 1.02 0.35 -0.07 -1.00 0.00 0.00 179.01 179.30 3itt h LEU 112 N 0.65 0.56 -0.83 1.33 3.38 -0.82 -0.02 115.31 119.56 3itt h LEU 112 Ca 0.06 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3itt h LEU 112 Cb 0.91 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3itt h LEU 112 CO 0.08 0.39 -0.21 0.50 0.09 0.00 0.00 178.44 179.29 3itt h LYS 113 N 0.69 0.64 -0.29 1.13 1.63 -0.96 -1.29 116.57 118.11 3itt h LYS 113 Ca 0.25 -0.24 -0.03 0.00 -0.85 0.00 0.00 60.65 59.78 3itt h LYS 113 Cb 0.06 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 3itt h LYS 113 CO -0.12 0.81 0.08 0.00 -3.45 0.00 0.00 179.45 176.77 3itt h ALA 114 N 1.20 0.39 -0.37 5.00 0.00 -0.42 -1.45 119.26 123.61 3itt h ALA 114 Ca 0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3itt h ALA 114 Cb 0.67 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3itt h ALA 114 CO 0.05 0.04 0.08 -0.09 0.00 0.00 0.00 179.25 179.33 3itt h ARG 115 N 0.31 0.59 0.09 0.00 9.65 -0.91 -1.87 114.38 122.25 3itt h ARG 115 Ca 0.09 -0.15 0.02 0.00 -1.10 0.00 0.00 59.98 58.85 3itt h ARG 115 Cb 0.27 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.74 3itt h ARG 115 CO -0.00 0.64 -0.26 0.78 2.80 0.00 0.00 179.97 183.93 3itt h GLY 116 N 0.45 -0.47 0.88 2.80 0.00 -1.11 0.04 103.07 105.66 3itt h GLY 116 Ca 0.11 0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.79 3itt h GLY 116 CO 0.00 -0.22 0.55 -0.55 0.00 0.00 0.00 176.54 176.32 3itt h ASP 117 N -0.46 0.91 -0.62 0.19 3.32 -1.23 0.19 116.42 118.72 3itt h ASP 117 Ca 0.04 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3itt h ASP 117 Cb 0.50 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 3itt h ASP 117 CO -0.17 0.62 0.31 0.00 -1.72 0.00 0.00 179.24 178.29 3itt h ALA 118 N 1.35 1.34 0.00 3.45 0.00 -0.87 -2.57 119.26 121.96 3itt h ALA 118 Ca 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3itt h ALA 118 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3itt h ALA 118 CO -0.11 0.52 -0.31 1.28 0.00 0.00 0.00 179.25 180.63 3itt n LEU 119 N -4.35 0.33 0.00 0.00 4.77 -0.04 -4.93 117.00 112.78 3itt n LEU 119 Ca 0.06 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 3itt n LEU 119 Cb 0.13 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3itt n LEU 119 CO 0.38 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3itt n GLY 120 N 1.49 0.69 3.42 -0.72 0.00 -0.15 -4.92 105.19 105.00 3itt n GLY 120 Ca 0.06 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 3itt n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3itt s LEU 121 N 0.00 2.43 0.00 0.99 1.43 0.48 -4.88 118.68 119.13 3itt s LEU 121 Ca 0.00 -0.67 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 3itt s LEU 121 Cb 0.00 -1.33 0.01 0.00 0.03 0.00 0.00 46.19 44.90 3itt s LEU 121 CO 0.00 0.19 0.09 0.61 0.23 0.00 0.00 176.35 177.47 3itt n GLY 122 N 0.98 3.40 3.07 -3.19 0.00 0.91 -3.75 105.19 106.62 3itt n GLY 122 Ca -0.17 -2.25 -0.27 0.00 0.00 0.00 0.00 46.02 43.33 3itt n GLY 122 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3itt s PHE 123 N -1.43 1.77 0.00 1.61 0.40 -1.26 -1.18 117.98 117.89 3itt s PHE 123 Ca 0.07 -0.71 0.00 0.00 -0.60 0.00 0.00 56.93 55.69 3itt s PHE 123 Cb -0.01 -1.26 0.00 0.00 0.51 0.00 0.00 43.02 42.26 3itt s PHE 123 CO 0.04 -0.34 0.00 -3.47 0.70 0.00 0.00 175.22 172.15 3itt n ASP 124 N 3.82 0.00 -4.75 1.36 2.03 -0.17 -4.21 116.55 114.63 3itt n ASP 124 Ca -0.21 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.70 3itt n ASP 124 Cb 0.52 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.94 3itt n ASP 124 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3itt n ALA 125 N -3.00 1.89 -1.87 -1.67 0.00 -1.26 -4.47 120.51 110.13 3itt n ALA 125 Ca 0.00 0.24 -0.32 0.00 0.00 0.00 0.00 53.44 53.36 3itt n ALA 125 Cb 0.00 -2.37 -0.05 0.00 0.00 0.00 0.00 19.45 17.03 3itt n ALA 125 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3itt s MET 126 N -2.45 4.02 -0.14 0.00 -1.94 0.98 -3.83 119.30 115.95 3itt s MET 126 Ca 0.62 0.96 0.00 0.00 -1.71 0.00 0.00 55.69 55.56 3itt s MET 126 Cb -0.46 -2.18 0.02 0.00 2.01 0.00 0.00 34.83 34.23 3itt s MET 126 CO 0.57 -0.17 -0.12 -0.80 -0.01 0.00 0.00 175.02 174.49 3itt s ASN 127 N -2.79 2.50 0.69 3.03 0.01 -0.69 0.03 114.94 117.71 3itt s ASN 127 Ca 0.59 -0.42 -0.09 0.00 -0.71 0.00 0.00 52.86 52.24 3itt s ASN 127 Cb -0.10 -1.06 0.03 0.00 0.41 0.00 0.00 41.25 40.54 3itt s ASN 127 CO 0.25 -0.08 1.03 -0.94 -1.51 0.00 0.00 177.10 175.85 3itt s SER 128 N 1.56 5.18 -0.33 -1.22 1.04 -1.16 -1.58 113.70 117.20 3itt s SER 128 Ca 0.05 0.77 -0.01 0.00 0.48 0.00 0.00 55.95 57.24 3itt s SER 128 Cb -0.13 -1.54 0.12 0.00 0.10 0.00 0.00 66.02 64.57 3itt s SER 128 CO -0.10 -1.41 0.18 0.21 0.98 0.00 0.00 173.24 173.10 3itt s ASN 129 N -4.42 3.23 -0.17 7.02 3.84 -1.06 -4.72 114.94 118.66 3itt s ASN 129 Ca 0.58 -1.85 0.13 0.00 0.21 0.00 0.00 52.86 51.94 3itt s ASN 129 Cb -0.11 -0.41 0.39 0.00 -0.55 0.00 0.00 41.25 40.57 3itt s ASN 129 CO 0.47 -0.36 1.20 0.35 -2.79 0.00 0.00 177.10 175.97 3itt n THR 130 N 4.50 1.91 0.01 -5.21 -2.24 -1.26 -4.57 114.28 107.42 3itt n THR 130 Ca 0.05 -2.83 0.07 0.00 -2.27 0.00 0.00 64.05 59.08 3itt n THR 130 Cb 0.39 -0.11 0.16 0.00 -2.10 0.00 0.00 70.33 68.67 3itt n THR 130 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 3itt n PHE 131 N -1.00 0.44 -3.54 4.78 1.16 -1.26 -4.59 117.46 113.46 3itt n PHE 131 Ca 0.17 -0.36 -0.16 0.00 -1.87 0.00 0.00 57.45 55.23 3itt n PHE 131 Cb 0.72 -0.01 -0.06 0.00 -1.61 0.00 0.00 39.48 38.53 3itt n PHE 131 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 3itt s SER 132 N -1.06 -0.57 -0.10 5.98 1.04 -1.26 -4.89 113.70 112.83 3itt s SER 132 Ca 0.27 0.46 -0.19 0.00 0.48 0.00 0.00 55.95 56.97 3itt s SER 132 Cb 0.15 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.75 3itt s SER 132 CO 0.20 -0.67 0.52 -1.81 0.98 0.00 0.00 173.24 172.47 3itt s ASP 133 N -1.57 6.76 0.36 7.02 1.01 -1.26 -4.89 116.67 124.10 3itt s ASP 133 Ca -0.08 0.90 -0.06 0.00 0.71 0.00 0.00 52.55 54.02 3itt s ASP 133 Cb -0.01 -2.31 -0.05 0.00 1.01 0.00 0.00 42.92 41.56 3itt s ASP 133 CO 0.04 -0.01 0.65 0.00 0.21 0.00 0.00 175.17 176.06 3itt s ALA 134 N 0.59 3.53 0.26 5.23 0.00 -1.26 -5.01 121.76 125.09 3itt s ALA 134 Ca 0.28 -0.51 -0.31 0.00 0.00 0.00 0.00 51.96 51.42 3itt s ALA 134 Cb -0.16 -2.42 -0.13 0.00 0.00 0.00 0.00 23.12 20.41 3itt s ALA 134 CO 0.12 0.03 1.42 -2.30 0.00 0.00 0.00 175.76 175.04 3itt n PRO 135 N -1.40 2.15 -0.80 0.00 -0.02 -1.26 -1.95 135.00 131.72 3itt n PRO 135 Ca -0.01 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3itt n PRO 135 Cb 0.54 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3itt n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3itt n GLY 136 N 2.01 1.39 3.69 -1.23 0.00 -1.26 -4.99 105.19 104.80 3itt n GLY 136 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.68 3itt n GLY 136 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3itt n GLN 137 N -2.00 2.34 0.27 1.61 7.27 -0.82 -4.95 117.38 121.10 3itt n GLN 137 Ca 0.00 0.84 -0.11 0.00 0.07 0.00 0.00 57.00 57.80 3itt n GLN 137 Cb 0.00 -2.61 -0.05 0.00 2.41 0.00 0.00 30.24 29.99 3itt n GLN 137 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3itt h ALA 138 N 5.63 -1.01 -3.23 1.69 0.00 -1.94 -3.43 119.26 116.97 3itt h ALA 138 Ca -0.45 -0.15 -0.63 0.00 0.00 0.00 0.00 54.91 53.68 3itt h ALA 138 Cb 1.24 0.27 -0.15 0.00 0.00 0.00 0.00 17.79 19.15 3itt h ALA 138 CO 0.87 -0.96 -0.57 -1.01 0.00 0.00 0.00 179.25 177.57 3itt s HIS 139 N -4.21 3.25 0.42 0.00 3.76 -1.26 -5.09 115.29 112.16 3itt s HIS 139 Ca -0.10 0.11 -0.22 0.00 -0.15 0.00 0.00 55.06 54.69 3itt s HIS 139 Cb 0.01 -2.01 -0.09 0.00 1.11 0.00 0.00 32.58 31.59 3itt s HIS 139 CO 0.30 0.24 1.00 0.45 -0.85 0.00 0.00 174.74 175.89 3itt s SER 140 N 0.05 6.77 -0.22 1.40 0.15 -1.26 -4.96 113.70 115.62 3itt s SER 140 Ca 0.05 1.89 0.14 0.00 0.70 0.00 0.00 55.95 58.73 3itt s SER 140 Cb -0.12 -2.57 0.80 0.00 -1.71 0.00 0.00 66.02 62.42 3itt s SER 140 CO 0.01 -0.48 1.71 -1.22 1.20 0.00 0.00 173.24 174.46 3itt n TYR 141 N -0.38 2.00 -0.33 3.44 4.01 -1.26 -4.58 117.16 120.05 3itt n TYR 141 Ca 0.06 -0.70 0.12 0.00 -0.16 0.00 0.00 57.90 57.23 3itt n TYR 141 Cb 0.52 -0.49 0.30 0.00 -0.31 0.00 0.00 39.34 39.36 3itt n TYR 141 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3itt h LYS 142 N 3.90 0.64 -0.34 -0.72 3.64 -1.94 -1.78 116.57 119.97 3itt h LYS 142 Ca 0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3itt h LYS 142 Cb 1.91 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.58 3itt h LYS 142 CO 0.46 0.42 0.01 0.66 -2.27 0.00 0.00 179.45 178.73 3itt n TYR 143 N -4.85 1.21 0.00 1.91 4.01 -1.26 -5.07 117.16 113.11 3itt n TYR 143 Ca 0.22 -0.89 0.00 0.00 -0.16 0.00 0.00 57.90 57.07 3itt n TYR 143 Cb 0.57 -0.37 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 3itt n TYR 143 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3itt n GLY 144 N -0.32 1.86 0.00 2.72 0.00 -0.67 -4.64 105.19 104.14 3itt n GLY 144 Ca 0.24 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.13 3itt n GLY 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3itt n SER 145 N 0.00 0.00 0.25 1.61 3.41 -1.26 -4.33 113.62 113.29 3itt n SER 145 Ca 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.78 3itt n SER 145 Cb 0.00 0.00 0.74 0.00 -0.26 0.00 0.00 64.21 64.69 3itt n SER 145 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3itt h LEU 146 N 0.00 0.00 -2.98 1.04 3.38 -1.86 -2.70 115.31 112.19 3itt h LEU 146 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3itt h LEU 146 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3itt h LEU 146 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 3itt n SER 147 N -2.83 2.30 -4.75 -0.43 3.41 -1.26 -3.77 113.62 106.29 3itt n SER 147 Ca 0.00 -2.15 -0.39 0.00 -0.26 0.00 0.00 58.87 56.08 3itt n SER 147 Cb 0.22 -0.11 0.04 0.00 -0.26 0.00 0.00 64.21 64.09 3itt n SER 147 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3itt n HIS 148 N -0.38 2.45 0.30 7.33 -0.00 -1.02 -4.81 115.22 119.10 3itt n HIS 148 Ca 0.05 0.43 0.19 0.00 -0.00 0.00 0.00 57.72 58.39 3itt n HIS 148 Cb 0.35 -2.39 0.93 0.00 -0.00 0.00 0.00 29.99 28.88 3itt n HIS 148 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 3itt h THR 149 N 1.67 0.05 -3.48 3.57 1.35 -1.91 -3.42 112.91 110.74 3itt h THR 149 Ca -0.51 -0.29 -0.61 0.00 -0.55 0.00 0.00 66.41 64.45 3itt h THR 149 Cb 1.29 1.27 -0.11 0.00 -1.73 0.00 0.00 68.15 68.87 3itt h THR 149 CO 0.58 0.01 0.16 0.21 -0.25 0.00 0.00 175.52 176.23 3itt s ASN 150 N -5.50 6.57 0.20 5.36 2.47 -1.26 -4.97 114.94 117.81 3itt s ASN 150 Ca -0.02 0.69 -0.12 0.00 0.42 0.00 0.00 52.86 53.83 3itt s ASN 150 Cb 0.11 -2.34 0.23 0.00 -1.45 0.00 0.00 41.25 37.80 3itt s ASN 150 CO 0.49 -0.38 1.70 0.00 -3.72 0.00 0.00 177.10 175.20 3itt h ALA 151 N 7.91 0.59 -0.59 1.71 0.00 -1.99 -1.51 119.26 125.39 3itt h ALA 151 Ca -0.27 0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3itt h ALA 151 Cb 1.12 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3itt h ALA 151 CO 0.77 -0.33 0.39 0.00 0.00 0.00 0.00 179.25 180.09 3itt h ALA 152 N 1.44 1.63 -0.31 0.00 0.00 -1.96 0.18 119.26 120.23 3itt h ALA 152 Ca 0.28 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 3itt h ALA 152 Cb 0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3itt h ALA 152 CO -0.38 0.32 -0.44 1.15 0.00 0.00 0.00 179.25 179.90 3itt h THR 153 N 0.75 1.28 -0.36 0.00 2.02 -1.66 -1.70 112.91 113.25 3itt h THR 153 Ca 0.23 -1.63 -0.09 0.00 0.77 0.00 0.00 66.41 65.69 3itt h THR 153 Cb -0.01 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3itt h THR 153 CO -0.06 0.53 -0.13 0.03 0.37 0.00 0.00 175.52 176.26 3itt h ARG 154 N 0.64 0.72 -0.95 6.66 3.08 -0.70 -2.29 114.38 121.54 3itt h ARG 154 Ca 0.04 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 3itt h ARG 154 Cb 1.01 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.99 3itt h ARG 154 CO 0.10 0.90 0.58 0.00 -1.07 0.00 0.00 179.97 180.48 3itt h ALA 155 N 0.80 1.25 -0.65 0.04 0.00 -0.92 -0.52 119.26 119.26 3itt h ALA 155 Ca 0.08 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3itt h ALA 155 Cb 0.66 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3itt h ALA 155 CO 0.04 0.66 0.16 0.37 0.00 0.00 0.00 179.25 180.48 3itt h GLN 156 N 1.30 1.01 -0.34 0.00 4.15 -1.14 -0.67 115.11 119.42 3itt h GLN 156 Ca 0.34 -0.22 -0.16 0.00 0.77 0.00 0.00 58.65 59.38 3itt h GLN 156 Cb -0.08 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.46 3itt h GLN 156 CO -0.07 0.89 -0.40 0.00 -1.93 0.00 0.00 178.83 177.32 3itt h ALA 157 N 1.21 0.64 -0.08 3.38 0.00 -0.82 -1.59 119.26 121.99 3itt h ALA 157 Ca 0.21 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3itt h ALA 157 Cb 0.33 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3itt h ALA 157 CO -0.00 0.67 0.04 0.28 0.00 0.00 0.00 179.25 180.24 3itt h VAL 158 N 0.68 1.13 -0.74 0.00 2.07 -0.85 -2.11 116.25 116.43 3itt h VAL 158 Ca 0.05 -0.40 0.07 0.00 0.82 0.00 0.00 66.70 67.24 3itt h VAL 158 Cb 0.98 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 3itt h VAL 158 CO 0.09 0.12 0.43 -0.08 0.02 0.00 0.00 177.57 178.15 3itt h GLU 159 N -0.01 0.74 -0.74 1.57 4.57 -1.04 -0.73 114.58 118.94 3itt h GLU 159 Ca 0.03 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 3itt h GLU 159 Cb 0.15 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 28.53 3itt h GLU 159 CO -0.00 0.49 0.47 1.25 -1.18 0.00 0.00 179.01 180.04 3itt h HIS 160 N 0.77 0.88 -0.66 0.92 2.76 -1.05 -0.35 115.15 118.41 3itt h HIS 160 Ca 0.34 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.47 3itt h HIS 160 Cb 0.23 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.87 3itt h HIS 160 CO -0.07 0.50 0.16 -0.91 -1.30 0.00 0.00 177.93 176.31 3itt h ASN 161 N 0.91 0.97 -0.08 3.26 2.35 -0.58 -1.48 115.58 120.94 3itt h ASN 161 Ca 0.30 -0.20 -0.07 0.00 -0.55 0.00 0.00 56.30 55.78 3itt h ASN 161 Cb 0.02 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 3itt h ASN 161 CO -0.11 0.94 -0.15 -0.07 -1.65 0.00 0.00 177.43 176.39 3itt h LEU 162 N 0.99 0.42 -0.85 1.61 3.38 -0.52 -1.91 115.31 118.43 3itt h LEU 162 Ca 0.21 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3itt h LEU 162 Cb 0.35 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3itt h LEU 162 CO 0.00 0.60 0.03 -0.08 0.09 0.00 0.00 178.44 179.08 3itt h GLU 163 N 0.40 0.88 -0.64 1.13 4.81 -0.37 -1.97 114.58 118.83 3itt h GLU 163 Ca 0.07 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 59.02 3itt h GLU 163 Cb 0.50 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 3itt h GLU 163 CO 0.03 0.86 0.21 0.00 -0.73 0.00 0.00 179.01 179.38 3itt h ILE 165 N 0.93 1.24 -0.62 0.00 2.04 -0.86 -0.75 117.51 119.50 3itt h ILE 165 Ca 0.21 -0.80 -0.08 0.00 1.00 0.00 0.00 64.86 65.19 3itt h ILE 165 Cb 0.25 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3itt h ILE 165 CO -0.01 0.31 0.08 -0.33 0.00 0.00 0.00 178.15 178.21 3itt h GLU 166 N 0.94 1.03 -0.28 2.37 4.39 -0.89 -0.73 114.58 121.41 3itt h GLU 166 Ca 0.22 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 3itt h GLU 166 Cb 0.25 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3itt h GLU 166 CO -0.01 0.97 0.12 0.82 -1.16 0.00 0.00 179.01 179.75 3itt h ILE 167 N 0.94 1.17 -0.59 3.13 2.04 -1.15 -2.70 117.51 120.35 3itt h ILE 167 Ca 0.19 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 3itt h ILE 167 Cb 0.45 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 3itt h ILE 167 CO 0.01 0.17 0.30 1.23 0.00 0.00 0.00 178.15 179.87 3itt h GLY 168 N 0.30 0.87 1.49 5.37 0.00 -0.89 -1.99 103.07 108.23 3itt h GLY 168 Ca 0.09 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 3itt h GLY 168 CO -0.01 0.37 -0.01 0.50 0.00 0.00 0.00 176.54 177.40 3itt h LYS 169 N 0.82 0.63 0.00 4.80 1.57 -0.95 0.27 116.57 123.71 3itt h LYS 169 Ca 0.21 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3itt h LYS 169 Cb 0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3itt h LYS 169 CO -0.03 0.66 -0.34 0.00 -0.57 0.00 0.00 179.45 179.17 3itt h ALA 170 N 1.40 1.11 -0.03 3.86 0.00 -1.04 -3.27 119.26 121.28 3itt h ALA 170 Ca 0.12 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3itt h ALA 170 Cb 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3itt h ALA 170 CO 0.01 0.42 0.00 0.44 0.00 0.00 0.00 179.25 180.13 3itt n ILE 171 N -3.65 0.02 0.00 0.00 -5.35 -1.02 -4.85 119.36 104.52 3itt n ILE 171 Ca -0.01 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 3itt n ILE 171 Cb 0.45 1.30 0.00 0.00 -1.74 0.00 0.00 39.64 39.65 3itt n ILE 171 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3itt n GLY 172 N 0.86 0.91 3.80 3.28 0.00 -0.81 -4.62 105.19 108.61 3itt n GLY 172 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3itt n GLY 172 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3itt s SER 173 N -2.18 6.04 -0.07 1.61 0.15 0.02 -4.78 113.70 114.50 3itt s SER 173 Ca 0.00 1.89 0.10 0.00 0.70 0.00 0.00 55.95 58.65 3itt s SER 173 Cb 0.00 -2.55 0.16 0.00 -1.71 0.00 0.00 66.02 61.92 3itt s SER 173 CO 0.00 -0.99 1.08 0.29 1.20 0.00 0.00 173.24 174.82 3itt n LYS 174 N -1.48 0.74 -3.44 5.44 4.76 -1.26 -4.48 118.16 118.43 3itt n LYS 174 Ca 0.09 -1.87 -0.13 0.00 -2.87 0.00 0.00 58.31 53.53 3itt n LYS 174 Cb 0.53 -1.06 -0.03 0.00 -1.84 0.00 0.00 35.03 32.63 3itt n LYS 174 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3itt s ALA 175 N -1.60 -1.63 -0.10 7.82 0.00 -1.26 -1.96 121.76 123.03 3itt s ALA 175 Ca 0.18 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.77 3itt s ALA 175 Cb 0.15 0.74 0.02 0.00 0.00 0.00 0.00 23.12 24.04 3itt s ALA 175 CO 0.02 -0.71 -0.09 -1.17 0.00 0.00 0.00 175.76 173.80 3itt s LEU 176 N -2.52 1.36 -0.19 0.00 2.96 -0.80 -0.01 118.68 119.48 3itt s LEU 176 Ca -0.00 -0.32 -0.09 0.00 -0.22 0.00 0.00 54.13 53.50 3itt s LEU 176 Cb -0.01 -0.86 -0.05 0.00 0.50 0.00 0.00 46.19 45.77 3itt s LEU 176 CO -0.10 -0.07 0.09 -0.89 -1.32 0.00 0.00 176.35 174.07 3itt s THR 177 N 1.39 5.09 -0.28 3.68 2.01 0.10 -0.80 115.64 126.83 3itt s THR 177 Ca -0.01 0.07 -0.00 0.00 0.31 0.00 0.00 61.69 62.06 3itt s THR 177 Cb -0.13 -3.31 0.05 0.00 0.01 0.00 0.00 72.50 69.12 3itt s THR 177 CO -0.05 0.45 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.60 3itt s VAL 178 N 0.36 2.69 -0.11 3.82 1.01 0.19 -2.98 120.40 125.38 3itt s VAL 178 Ca 0.05 -1.42 0.01 0.00 0.00 0.00 0.00 61.98 60.62 3itt s VAL 178 Cb -0.12 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.75 3itt s VAL 178 CO -0.01 -0.04 -0.11 0.86 0.00 0.00 0.00 175.10 175.80 3itt s TRP 179 N 1.21 1.69 0.29 5.22 -0.00 -1.26 -1.73 118.94 124.36 3itt s TRP 179 Ca -0.06 -0.82 0.07 0.00 -0.00 0.00 0.00 56.10 55.29 3itt s TRP 179 Cb -0.19 -1.30 -0.06 0.00 -0.00 0.00 0.00 33.47 31.92 3itt s TRP 179 CO -0.03 -0.49 -0.07 0.96 -0.00 0.00 0.00 176.95 177.32 3itt s ILE 180 N 1.34 1.77 -2.34 5.86 -4.36 -1.26 -4.70 121.20 117.51 3itt s ILE 180 Ca -0.01 -2.15 0.25 0.00 -0.26 0.00 0.00 60.65 58.48 3itt s ILE 180 Cb -0.14 -2.46 0.19 0.00 1.25 0.00 0.00 42.46 41.30 3itt s ILE 180 CO -0.05 -0.30 1.33 0.61 0.24 0.00 0.00 174.94 176.77 3itt n GLY 181 N -0.61 0.19 3.46 6.27 0.00 -1.26 -4.96 105.19 108.28 3itt n GLY 181 Ca -0.05 -0.58 -0.59 0.00 0.00 0.00 0.00 46.02 44.79 3itt n GLY 181 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3itt n ASP 182 N 0.29 0.24 0.00 1.61 9.92 -1.26 -4.09 116.55 123.26 3itt n ASP 182 Ca 0.13 1.14 0.00 0.00 -0.53 0.00 0.00 54.79 55.52 3itt n ASP 182 Cb 0.47 -0.89 0.00 0.00 -0.64 0.00 0.00 41.12 40.06 3itt n ASP 182 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3itt n GLY 183 N 1.98 -0.56 3.13 0.44 0.00 -1.26 -1.61 105.19 107.30 3itt n GLY 183 Ca 0.22 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 3itt n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3itt s SER 184 N -4.00 0.38 0.00 1.61 1.04 0.84 -4.88 113.70 108.70 3itt s SER 184 Ca 0.00 -0.96 0.10 0.00 0.48 0.00 0.00 55.95 55.57 3itt s SER 184 Cb 0.00 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 3itt s SER 184 CO 0.00 -0.65 0.57 0.59 0.98 0.00 0.00 173.24 174.73 3itt n ASN 185 N 0.04 0.97 -3.91 7.02 4.13 -1.26 -1.41 115.26 120.84 3itt n ASN 185 Ca -0.13 -0.99 -0.12 0.00 1.68 0.00 0.00 54.58 55.03 3itt n ASN 185 Cb 0.62 0.66 -0.13 0.00 -1.54 0.00 0.00 39.78 39.38 3itt n ASN 185 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3itt s PHE 186 N -1.60 0.14 0.30 3.10 0.40 -1.26 -4.44 117.98 114.61 3itt s PHE 186 Ca 0.07 -0.16 -0.30 0.00 -0.60 0.00 0.00 56.93 55.94 3itt s PHE 186 Cb 0.08 -0.09 -0.11 0.00 0.51 0.00 0.00 43.02 43.41 3itt s PHE 186 CO 0.32 -0.05 1.56 -2.14 0.70 0.00 0.00 175.22 175.61 3itt s PRO 187 N -0.44 4.14 0.00 0.24 0.02 -1.26 -1.87 135.00 135.83 3itt s PRO 187 Ca -0.04 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.52 3itt s PRO 187 Cb -0.03 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.46 3itt s PRO 187 CO -0.00 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 3itt n GLY 188 N 1.98 2.95 0.30 0.52 0.00 -1.26 -4.88 105.19 104.80 3itt n GLY 188 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 3itt n GLY 188 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3itt h GLN 189 N 0.61 0.50 -6.83 1.61 4.15 -1.81 -3.41 115.11 109.93 3itt h GLN 189 Ca 0.00 -0.03 -0.68 0.00 0.77 0.00 0.00 58.65 58.71 3itt h GLN 189 Cb 0.00 -0.11 -0.21 0.00 0.21 0.00 0.00 27.48 27.37 3itt h GLN 189 CO 0.00 0.33 -0.86 -1.12 -1.93 0.00 0.00 178.83 175.25 3itt s SER 190 N -5.34 3.35 -0.46 -0.69 0.01 -1.26 -5.08 113.70 104.23 3itt s SER 190 Ca -0.12 -0.78 -0.17 0.00 1.31 0.00 0.00 55.95 56.18 3itt s SER 190 Cb 0.22 -0.23 0.04 0.00 0.21 0.00 0.00 66.02 66.27 3itt s SER 190 CO 0.77 0.16 0.49 0.21 0.41 0.00 0.00 173.24 175.28 3itt s ASN 191 N -2.23 6.19 0.21 2.44 3.84 -1.26 -4.97 114.94 119.17 3itt s ASN 191 Ca 0.16 -0.88 -0.18 0.00 0.21 0.00 0.00 52.86 52.17 3itt s ASN 191 Cb -0.09 -2.24 0.19 0.00 -0.55 0.00 0.00 41.25 38.56 3itt s ASN 191 CO 0.07 -0.69 1.58 -0.26 -2.79 0.00 0.00 177.10 175.01 3itt h PHE 192 N 8.81 -0.92 -0.26 0.43 0.04 -1.98 -0.37 116.94 122.71 3itt h PHE 192 Ca -0.27 0.08 -0.08 0.00 2.80 0.00 0.00 57.97 60.50 3itt h PHE 192 Cb 1.11 0.51 -0.01 0.00 2.20 0.00 0.00 35.95 39.76 3itt h PHE 192 CO 0.66 -0.39 -0.15 1.15 -0.60 0.00 0.00 178.31 178.99 3itt h THR 193 N -0.09 1.30 -0.78 -1.55 2.02 -1.99 -2.17 112.91 109.66 3itt h THR 193 Ca 0.29 -1.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.18 3itt h THR 193 Cb 0.57 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 3itt h THR 193 CO -0.81 0.39 0.31 0.03 0.37 0.00 0.00 175.52 175.81 3itt h ARG 194 N 0.28 1.16 -0.70 6.66 3.08 -1.88 0.73 114.38 123.70 3itt h ARG 194 Ca 0.05 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.83 3itt h ARG 194 Cb 0.67 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 3itt h ARG 194 CO 0.04 0.94 0.19 0.00 -1.07 0.00 0.00 179.97 180.06 3itt h ALA 195 N 1.20 0.92 -0.41 0.04 0.00 -1.05 -1.60 119.26 118.37 3itt h ALA 195 Ca 0.26 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3itt h ALA 195 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3itt h ALA 195 CO -0.02 0.62 -0.25 0.35 0.00 0.00 0.00 179.25 179.95 3itt h PHE 196 N 1.04 0.97 -0.69 0.00 3.57 -0.87 -1.75 116.94 119.21 3itt h PHE 196 Ca 0.22 -0.24 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3itt h PHE 196 Cb 0.35 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 3itt h PHE 196 CO 0.03 1.00 0.37 0.93 -2.23 0.00 0.00 178.31 178.40 3itt h GLU 197 N 0.72 0.96 -0.72 1.11 5.08 -0.58 -0.66 114.58 120.51 3itt h GLU 197 Ca 0.09 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3itt h GLU 197 Cb 0.79 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 3itt h GLU 197 CO 0.07 0.73 0.35 0.00 -1.00 0.00 0.00 179.01 179.16 3itt h ARG 198 N 0.94 1.02 -0.43 2.33 3.08 -1.08 -2.05 114.38 118.20 3itt h ARG 198 Ca 0.24 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3itt h ARG 198 Cb 0.05 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3itt h ARG 198 CO -0.04 0.80 0.27 -0.92 -1.07 0.00 0.00 179.97 179.01 3itt h TYR 199 N 1.00 0.55 -0.71 3.04 5.03 -0.74 -1.67 116.97 123.47 3itt h TYR 199 Ca 0.25 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.52 3itt h TYR 199 Cb 0.10 -0.18 -0.03 0.00 1.55 0.00 0.00 36.73 38.17 3itt h TYR 199 CO 0.01 0.36 0.26 -0.07 -1.32 0.00 0.00 178.16 177.40 3itt h LEU 200 N 0.57 0.98 -0.44 2.82 3.38 -0.87 -0.12 115.31 121.63 3itt h LEU 200 Ca 0.16 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3itt h LEU 200 Cb -0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3itt h LEU 200 CO -0.03 0.89 -0.14 0.28 0.09 0.00 0.00 178.44 179.52 3itt h SER 201 N 1.03 0.89 -0.49 -0.43 0.02 -1.14 -0.86 113.55 112.57 3itt h SER 201 Ca 0.23 -0.38 -0.06 0.00 -0.84 0.00 0.00 61.79 60.75 3itt h SER 201 Cb 0.23 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3itt h SER 201 CO -0.02 1.06 0.08 0.00 -1.14 0.00 0.00 176.83 176.82 3itt h ALA 202 N 0.85 0.65 0.00 3.77 0.00 -1.04 -2.60 119.26 120.90 3itt h ALA 202 Ca 0.11 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3itt h ALA 202 Cb 0.69 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3itt h ALA 202 CO 0.05 0.38 -0.31 0.52 0.00 0.00 0.00 179.25 179.90 3itt h MET 203 N 0.69 0.00 -0.12 0.00 2.07 -0.90 -1.98 114.93 114.70 3itt h MET 203 Ca 0.15 0.00 -0.10 0.00 -2.07 0.00 0.00 59.70 57.68 3itt h MET 203 Cb 0.39 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.11 3itt h MET 203 CO 0.01 0.31 -0.37 0.00 1.07 0.00 0.00 176.91 177.93 3itt h ALA 204 N 1.69 1.17 -0.24 6.32 0.00 -0.80 0.33 119.26 127.73 3itt h ALA 204 Ca -0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 3itt h ALA 204 Cb 0.59 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3itt h ALA 204 CO 0.04 0.55 -0.18 0.93 0.00 0.00 0.00 179.25 180.60 3itt h GLU 205 N 0.21 0.53 -0.60 0.00 5.08 -1.01 -1.06 114.58 117.72 3itt h GLU 205 Ca 0.02 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 3itt h GLU 205 Cb 0.75 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 3itt h GLU 205 CO 0.06 0.83 0.28 0.82 -1.00 0.00 0.00 179.01 180.00 3itt h ILE 206 N 0.24 1.22 -0.80 3.13 2.04 -1.21 -2.04 117.51 120.09 3itt h ILE 206 Ca 0.04 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.31 3itt h ILE 206 Cb 0.71 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 3itt h ILE 206 CO 0.05 0.25 0.52 0.22 0.00 0.00 0.00 178.15 179.19 3itt h TYR 207 N 0.82 0.95 -0.33 1.37 5.03 -0.78 -0.96 116.97 123.08 3itt h TYR 207 Ca 0.20 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.51 3itt h TYR 207 Cb 0.14 -0.32 -0.02 0.00 1.55 0.00 0.00 36.73 38.09 3itt h TYR 207 CO 0.00 0.55 0.09 0.87 -1.32 0.00 0.00 178.16 178.36 3itt h LYS 208 N 0.98 0.47 -0.39 1.82 1.57 -0.49 -1.60 116.57 118.93 3itt h LYS 208 Ca 0.32 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3itt h LYS 208 Cb 0.03 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3itt h LYS 208 CO -0.09 0.43 0.00 0.41 -0.57 0.00 0.00 179.45 179.63 3itt n GLY 209 N -1.14 0.98 3.70 3.86 0.00 -0.42 -4.90 105.19 107.26 3itt n GLY 209 Ca 0.02 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 3itt n GLY 209 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3itt s LEU 210 N -1.12 4.28 0.80 0.99 2.96 -0.60 -5.03 118.68 120.96 3itt s LEU 210 Ca 0.31 1.41 -0.14 0.00 -0.22 0.00 0.00 54.13 55.49 3itt s LEU 210 Cb 0.16 -3.38 0.06 0.00 0.50 0.00 0.00 46.19 43.53 3itt s LEU 210 CO 0.22 -0.30 1.04 -2.65 -1.32 0.00 0.00 176.35 173.34 3itt n PRO 211 N 4.45 0.21 0.00 0.98 -0.02 -1.26 -4.87 135.00 134.49 3itt n PRO 211 Ca 0.05 0.14 0.07 0.00 -2.02 0.00 0.00 63.50 61.74 3itt n PRO 211 Cb 0.50 -2.30 0.41 0.00 -0.02 0.00 0.00 33.50 32.08 3itt n PRO 211 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3itt n ASP 212 N -2.59 0.00 -0.07 2.55 8.00 -1.26 -2.52 116.55 120.66 3itt n ASP 212 Ca 0.13 -1.53 0.06 0.00 0.71 0.00 0.00 54.79 54.16 3itt n ASP 212 Cb 0.50 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.69 3itt n ASP 212 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3itt n ASP 213 N -0.72 2.03 -4.57 -2.24 5.75 -1.26 -5.03 116.55 110.51 3itt n ASP 213 Ca 0.10 -2.62 -0.24 0.00 -0.01 0.00 0.00 54.79 52.03 3itt n ASP 213 Cb 0.05 -0.27 -0.08 0.00 -1.03 0.00 0.00 41.12 39.79 3itt n ASP 213 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3itt s TRP 214 N -2.03 2.54 0.15 2.11 0.52 -1.05 -4.89 118.94 116.29 3itt s TRP 214 Ca 0.19 -0.26 0.11 0.00 0.02 0.00 0.00 56.10 56.16 3itt s TRP 214 Cb 0.17 -1.13 -0.04 0.00 -1.15 0.00 0.00 33.47 31.31 3itt s TRP 214 CO 0.02 0.64 -0.25 0.15 0.02 0.00 0.00 176.95 177.53 3itt s LYS 215 N -3.51 1.41 -0.22 4.98 1.02 -0.83 -4.87 119.74 117.73 3itt s LYS 215 Ca 0.30 -1.40 -0.00 0.00 0.02 0.00 0.00 55.97 54.89 3itt s LYS 215 Cb -0.06 -1.82 0.03 0.00 -0.52 0.00 0.00 37.83 35.45 3itt s LYS 215 CO 0.18 0.42 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.73 3itt s LEU 216 N -2.28 2.79 -0.15 3.17 2.96 0.67 -1.90 118.68 123.93 3itt s LEU 216 Ca 0.16 -0.81 -0.05 0.00 -0.22 0.00 0.00 54.13 53.21 3itt s LEU 216 Cb -0.09 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 3itt s LEU 216 CO 0.07 -0.08 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.66 3itt s PHE 217 N 1.29 3.11 -0.11 5.38 0.08 0.02 -0.85 117.98 126.90 3itt s PHE 217 Ca 0.01 -0.12 -0.02 0.00 0.12 0.00 0.00 56.93 56.92 3itt s PHE 217 Cb -0.15 -1.97 -0.03 0.00 -0.57 0.00 0.00 43.02 40.30 3itt s PHE 217 CO -0.08 0.09 -0.04 -1.54 -0.10 0.00 0.00 175.22 173.55 3itt s SER 218 N 0.19 4.83 -0.22 1.36 1.04 -0.92 0.54 113.70 120.52 3itt s SER 218 Ca 0.00 -0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.37 3itt s SER 218 Cb -0.13 -1.50 0.00 0.00 0.10 0.00 0.00 66.02 64.49 3itt s SER 218 CO 0.02 0.28 -0.08 -0.70 0.98 0.00 0.00 173.24 173.74 3itt s GLU 219 N -0.32 3.21 0.43 4.02 2.12 -0.71 -1.44 118.70 126.02 3itt s GLU 219 Ca 0.05 -0.73 -0.11 0.00 0.36 0.00 0.00 54.97 54.54 3itt s GLU 219 Cb -0.12 -2.90 -0.07 0.00 0.26 0.00 0.00 34.13 31.30 3itt s GLU 219 CO 0.02 -0.23 0.82 -3.38 -0.54 0.00 0.00 175.26 171.95 3itt s HIS 220 N 1.41 3.47 -0.25 5.30 -3.43 -1.26 -4.70 115.29 115.83 3itt s HIS 220 Ca 0.05 1.13 -0.15 0.00 -0.80 0.00 0.00 55.06 55.29 3itt s HIS 220 Cb -0.14 -2.51 0.07 0.00 -1.43 0.00 0.00 32.58 28.57 3itt s HIS 220 CO -0.06 -0.18 0.63 0.21 -2.00 0.00 0.00 174.74 173.34 3itt s LYS 221 N -3.96 0.64 0.20 -0.38 2.20 -0.45 -4.74 119.74 113.25 3itt s LYS 221 Ca 0.53 1.12 -0.11 0.00 -0.36 0.00 0.00 55.97 57.15 3itt s LYS 221 Cb -0.10 0.11 0.13 0.00 -1.51 0.00 0.00 37.83 36.46 3itt s LYS 221 CO 0.32 -0.15 1.84 1.98 -0.36 0.00 0.00 175.35 178.99 3itt h MET 222 N 6.96 0.95 -2.45 4.03 1.85 -1.13 -3.35 114.93 121.79 3itt h MET 222 Ca -0.31 -0.08 0.12 0.00 -0.61 0.00 0.00 59.70 58.81 3itt h MET 222 Cb 1.22 -0.20 -0.11 0.00 0.43 0.00 0.00 31.60 32.94 3itt h MET 222 CO 0.19 0.67 0.43 1.52 -0.40 0.00 0.00 176.91 179.32 3itt s TYR 223 N -5.99 -0.26 0.00 1.39 1.13 -1.26 -4.51 117.35 107.84 3itt s TYR 223 Ca -0.13 0.01 0.00 0.00 -1.41 0.00 0.00 57.07 55.54 3itt s TYR 223 Cb 0.14 0.60 0.00 0.00 -1.10 0.00 0.00 41.96 41.60 3itt s TYR 223 CO 0.78 -0.76 0.00 -1.91 -2.51 0.00 0.00 175.55 171.15 3itt n GLU 224 N -0.38 0.00 0.11 -3.49 2.13 -1.26 -4.81 120.64 112.94 3itt n GLU 224 Ca -0.08 0.49 0.11 0.00 0.66 0.00 0.00 57.16 58.34 3itt n GLU 224 Cb 0.61 -0.23 0.46 0.00 0.27 0.00 0.00 31.44 32.55 3itt n GLU 224 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3itt n PRO 225 N 0.04 0.15 -3.03 5.31 -0.04 -1.26 -4.97 135.00 131.20 3itt n PRO 225 Ca 0.00 0.42 -0.40 0.00 -0.04 0.00 0.00 63.50 63.48 3itt n PRO 225 Cb 0.00 -1.81 -0.05 0.00 -0.04 0.00 0.00 33.50 31.60 3itt n PRO 225 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3itt s ALA 226 N -3.28 3.45 -1.64 0.55 0.00 -1.26 -4.96 121.76 114.62 3itt s ALA 226 Ca 0.04 -0.01 0.19 0.00 0.00 0.00 0.00 51.96 52.18 3itt s ALA 226 Cb 0.09 -3.03 0.56 0.00 0.00 0.00 0.00 23.12 20.74 3itt s ALA 226 CO 0.34 -0.38 1.47 1.19 0.00 0.00 0.00 175.76 178.38 3itt n PHE 227 N 4.53 0.86 0.04 0.00 3.72 -1.22 -4.52 117.46 120.88 3itt n PHE 227 Ca 0.00 -0.51 0.00 0.00 -0.05 0.00 0.00 57.45 56.89 3itt n PHE 227 Cb 0.50 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 3itt n PHE 227 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3itt n TYR 228 N 1.31 -0.46 -3.97 1.38 9.36 -0.50 -4.93 117.16 119.35 3itt n TYR 228 Ca 0.21 0.08 -0.09 0.00 3.32 0.00 0.00 57.90 61.42 3itt n TYR 228 Cb 0.58 0.17 -0.11 0.00 -0.63 0.00 0.00 39.34 39.36 3itt n TYR 228 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 3itt s SER 229 N -5.38 0.22 -0.04 2.98 1.04 -0.55 -4.97 113.70 107.00 3itt s SER 229 Ca 0.00 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 55.95 3itt s SER 229 Cb 0.00 0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.27 3itt s SER 229 CO 0.00 -0.36 -0.08 -0.89 0.98 0.00 0.00 173.24 172.89 3itt s THR 230 N -1.77 0.79 0.11 2.02 2.01 -1.26 -0.11 115.64 117.42 3itt s THR 230 Ca -0.13 -0.32 -0.30 0.00 0.31 0.00 0.00 61.69 61.25 3itt s THR 230 Cb -0.07 -0.73 -0.11 0.00 0.01 0.00 0.00 72.50 71.60 3itt s THR 230 CO -0.02 0.26 1.60 0.58 -0.69 0.00 0.00 174.62 176.36 3itt h VAL 231 N 5.74 0.23 -2.85 3.82 2.07 -1.64 -2.96 116.25 120.65 3itt h VAL 231 Ca -0.34 0.00 -0.81 0.00 0.82 0.00 0.00 66.70 66.37 3itt h VAL 231 Cb 1.17 0.23 -0.27 0.00 -1.52 0.00 0.00 31.29 30.89 3itt h VAL 231 CO 0.48 0.00 0.85 0.52 0.02 0.00 0.00 177.57 179.44 3itt n VAL 232 N -5.46 5.25 0.08 2.57 0.31 -1.26 -4.83 118.33 114.99 3itt n VAL 232 Ca -0.08 -5.82 -0.05 0.00 -0.01 0.00 0.00 64.34 58.38 3itt n VAL 232 Cb 0.37 -2.12 -0.06 0.00 -0.91 0.00 0.00 33.84 31.12 3itt n VAL 232 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 3itt h GLN 233 N 5.51 0.00 0.00 5.55 -0.00 -1.65 -1.19 115.11 123.33 3itt h GLN 233 Ca 0.21 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.59 3itt h GLN 233 Cb 0.63 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 28.04 3itt h GLN 233 CO 1.34 0.89 -0.13 -0.40 -0.00 0.00 0.00 178.83 180.53 3itt n ASP 234 N -3.40 -1.42 0.26 0.06 5.68 -1.26 -2.24 116.55 114.23 3itt n ASP 234 Ca 0.00 -2.90 0.14 0.00 -0.50 0.00 0.00 54.79 51.53 3itt n ASP 234 Cb 0.87 2.63 0.72 0.00 -1.14 0.00 0.00 41.12 44.20 3itt n ASP 234 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 3itt h TRP 235 N 2.02 0.00 -0.11 2.11 5.08 -1.95 -1.08 115.95 122.03 3itt h TRP 235 Ca -0.28 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.67 3itt h TRP 235 Cb 1.20 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.36 3itt h TRP 235 CO 0.00 0.11 -0.01 0.78 -1.28 0.00 0.00 178.44 178.04 3itt h GLY 236 N 1.16 0.21 1.19 11.11 0.00 -1.99 0.12 103.07 114.87 3itt h GLY 236 Ca -0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 3itt h GLY 236 CO 0.01 0.15 -0.17 -0.84 0.00 0.00 0.00 176.54 175.70 3itt h THR 237 N -0.10 1.27 -0.81 4.70 2.02 -1.88 -2.62 112.91 115.48 3itt h THR 237 Ca 0.03 -1.32 0.02 0.00 0.77 0.00 0.00 66.41 65.91 3itt h THR 237 Cb 0.40 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 3itt h THR 237 CO 0.01 0.45 0.53 -1.13 0.37 0.00 0.00 175.52 175.75 3itt h ASN 238 N 0.82 0.90 -0.53 4.18 -0.00 -1.03 -1.36 115.58 118.56 3itt h ASN 238 Ca 0.12 -0.02 -0.01 0.00 -0.00 0.00 0.00 56.30 56.39 3itt h ASN 238 Cb 0.72 -0.22 -0.02 0.00 -0.00 0.00 0.00 38.32 38.80 3itt h ASN 238 CO 0.06 0.64 0.29 0.22 -0.00 0.00 0.00 177.43 178.64 3itt h TYR 239 N 1.07 0.73 -0.88 0.67 3.20 -0.52 -1.05 116.97 120.18 3itt h TYR 239 Ca 0.31 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.21 3itt h TYR 239 Cb -0.08 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 37.90 3itt h TYR 239 CO -0.02 0.54 0.58 -0.07 -1.64 0.00 0.00 178.16 177.55 3itt h LEU 240 N 0.71 0.90 0.76 2.82 3.38 -1.03 0.74 115.31 123.59 3itt h LEU 240 Ca 0.19 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 3itt h LEU 240 Cb 0.06 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.62 3itt h LEU 240 CO -0.03 0.59 -0.36 0.40 0.09 0.00 0.00 178.44 179.13 3itt h ILE 241 N 1.03 0.02 -0.43 1.22 2.04 -0.64 -1.11 117.51 119.64 3itt h ILE 241 Ca 0.37 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 66.06 3itt h ILE 241 Cb 0.15 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.20 3itt h ILE 241 CO -0.13 0.00 0.02 0.00 0.00 0.00 0.00 178.15 178.04 3itt h ALA 242 N -1.24 0.41 -0.70 1.87 0.00 -0.99 -0.24 119.26 118.37 3itt h ALA 242 Ca -0.10 0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3itt h ALA 242 Cb 0.78 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 3itt h ALA 242 CO 0.17 -0.38 0.45 0.37 0.00 0.00 0.00 179.25 179.86 3itt h GLN 243 N 0.13 0.87 -0.41 0.00 5.75 -0.89 -2.69 115.11 117.88 3itt h GLN 243 Ca 0.21 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.59 3itt h GLN 243 Cb 0.30 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 3itt h GLN 243 CO -0.34 0.58 -0.02 1.15 -2.65 0.00 0.00 178.83 177.56 3itt h THR 244 N 0.90 1.26 -0.34 2.39 2.02 -0.29 -3.32 112.91 115.53 3itt h THR 244 Ca 0.27 -1.05 -0.08 0.00 0.77 0.00 0.00 66.41 66.32 3itt h THR 244 Cb -0.04 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3itt h THR 244 CO -0.08 0.35 -0.10 -0.07 0.37 0.00 0.00 175.52 175.99 3itt h LEU 245 N 0.56 0.69 0.00 2.58 3.38 -0.91 -3.50 115.31 118.11 3itt h LEU 245 Ca 0.11 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3itt h LEU 245 Cb 0.50 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3itt h LEU 245 CO 0.02 0.91 0.00 0.61 0.09 0.00 0.00 178.44 180.07 3itt n GLY 246 N -0.14 1.44 0.30 0.83 0.00 -1.03 -4.92 105.19 101.68 3itt n GLY 246 Ca -0.02 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.34 3itt n GLY 246 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3itt h PRO 247 N 0.00 0.00 -0.00 1.61 0.13 -1.91 -1.84 132.00 129.99 3itt h PRO 247 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3itt h PRO 247 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3itt h PRO 247 CO 0.00 0.00 -0.06 1.63 -0.23 0.00 0.00 178.00 179.34 3itt n LYS 248 N -4.30 0.72 -3.96 0.86 5.02 -1.26 -4.80 118.16 110.44 3itt n LYS 248 Ca 0.00 -0.17 -0.35 0.00 -2.02 0.00 0.00 58.31 55.77 3itt n LYS 248 Cb 0.23 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.64 3itt n LYS 248 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3itt s ALA 249 N -2.40 3.37 0.27 7.82 0.00 -0.69 -0.24 121.76 129.89 3itt s ALA 249 Ca 0.32 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.48 3itt s ALA 249 Cb 0.20 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 3itt s ALA 249 CO 0.45 0.05 0.16 -0.65 0.00 0.00 0.00 175.76 175.76 3itt s GLN 250 N 0.62 1.48 -0.10 0.00 -0.21 -0.03 -4.71 119.66 116.71 3itt s GLN 250 Ca 0.03 -1.83 -0.06 0.00 0.02 0.00 0.00 55.36 53.52 3itt s GLN 250 Cb -0.13 0.04 -0.04 0.00 1.00 0.00 0.00 33.01 33.88 3itt s GLN 250 CO 0.01 -0.44 0.14 0.00 -2.12 0.00 0.00 175.29 172.88 3itt s LEU 252 N -1.13 3.11 -0.26 0.00 0.20 -0.52 0.24 118.68 120.32 3itt s LEU 252 Ca 0.16 -0.18 -0.08 0.00 0.69 0.00 0.00 54.13 54.72 3itt s LEU 252 Cb -0.12 -1.74 -0.03 0.00 -0.43 0.00 0.00 46.19 43.87 3itt s LEU 252 CO 0.06 0.17 0.09 -0.69 -0.29 0.00 0.00 176.35 175.68 3itt s VAL 253 N 0.37 4.45 -0.30 1.68 1.01 -0.53 -4.00 120.40 123.08 3itt s VAL 253 Ca -0.06 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.69 3itt s VAL 253 Cb -0.15 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.13 3itt s VAL 253 CO 0.04 0.31 0.11 -0.62 0.00 0.00 0.00 175.10 174.93 3itt s ASP 254 N 1.63 5.27 0.25 3.32 -1.08 -1.26 -0.89 116.67 123.91 3itt s ASP 254 Ca 0.06 -0.66 -0.13 0.00 -0.52 0.00 0.00 52.55 51.30 3itt s ASP 254 Cb -0.15 -1.92 0.33 0.00 -1.46 0.00 0.00 42.92 39.72 3itt s ASP 254 CO 0.05 -0.20 1.53 0.18 0.52 0.00 0.00 175.17 177.25 3itt n LEU 255 N 4.90 -0.51 -0.19 -1.34 4.77 -1.00 -1.05 117.00 122.58 3itt n LEU 255 Ca -0.14 1.71 0.00 0.00 -0.03 0.00 0.00 56.01 57.55 3itt n LEU 255 Cb 0.48 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3itt n LEU 255 CO 0.32 -1.58 0.42 0.61 -1.33 0.00 0.00 177.39 175.83 3itt n GLY 256 N -1.54 -0.13 1.85 -0.72 0.00 -1.26 -4.02 105.19 99.38 3itt n GLY 256 Ca 0.13 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.19 3itt n GLY 256 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3itt n HIS 257 N -0.31 2.03 -4.37 1.61 8.25 -0.21 -3.61 115.22 118.61 3itt n HIS 257 Ca 0.00 -0.72 -0.23 0.00 -0.26 0.00 0.00 57.72 56.51 3itt n HIS 257 Cb 0.09 -0.51 -0.08 0.00 1.12 0.00 0.00 29.99 30.61 3itt n HIS 257 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3itt s HIS 258 N -2.71 2.52 0.81 4.41 3.76 -1.26 -2.49 115.29 120.33 3itt s HIS 258 Ca 0.52 -0.27 -0.13 0.00 -0.15 0.00 0.00 55.06 55.04 3itt s HIS 258 Cb 0.40 -1.11 0.08 0.00 1.11 0.00 0.00 32.58 33.07 3itt s HIS 258 CO 0.15 0.66 1.19 0.00 -0.85 0.00 0.00 174.74 175.89 3itt s ALA 259 N -2.39 1.86 0.30 -1.40 0.00 -1.26 -4.89 121.76 113.97 3itt s ALA 259 Ca 0.31 0.76 -0.29 0.00 0.00 0.00 0.00 51.96 52.74 3itt s ALA 259 Cb -0.06 -3.46 -0.13 0.00 0.00 0.00 0.00 23.12 19.47 3itt s ALA 259 CO 0.18 -2.24 1.36 -2.30 0.00 0.00 0.00 175.76 172.76 3itt n PRO 260 N -3.35 2.14 -0.86 0.00 -0.02 -1.26 -2.25 135.00 129.40 3itt n PRO 260 Ca 0.13 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3itt n PRO 260 Cb 0.51 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3itt n PRO 260 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3itt n ASN 261 N 1.46 -1.04 -4.69 2.55 3.02 -1.26 -4.99 115.26 110.32 3itt n ASN 261 Ca 0.08 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.22 3itt n ASN 261 Cb 0.34 -1.14 0.01 0.00 -0.61 0.00 0.00 39.78 38.39 3itt n ASN 261 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3itt n THR 262 N -2.15 2.47 -3.02 3.41 -1.04 -0.96 -4.91 114.28 108.08 3itt n THR 262 Ca 0.00 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.05 61.07 3itt n THR 262 Cb 0.05 -1.51 -0.03 0.00 -1.82 0.00 0.00 70.33 67.01 3itt n THR 262 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3itt s ASN 263 N -0.53 6.41 0.12 8.00 3.84 -1.26 -4.88 114.94 126.64 3itt s ASN 263 Ca 0.60 -1.71 -0.13 0.00 0.21 0.00 0.00 52.86 51.83 3itt s ASN 263 Cb -0.52 -2.35 -0.05 0.00 -0.55 0.00 0.00 41.25 37.78 3itt s ASN 263 CO 0.58 -1.10 1.47 0.40 -2.79 0.00 0.00 177.10 175.67 3itt h ILE 264 N 5.76 1.29 -0.28 -5.21 2.04 -1.98 -3.12 117.51 116.02 3itt h ILE 264 Ca -0.09 -1.40 0.05 0.00 1.00 0.00 0.00 64.86 64.42 3itt h ILE 264 Cb 1.06 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 3itt h ILE 264 CO 1.08 0.46 0.19 1.05 0.00 0.00 0.00 178.15 180.94 3itt h GLU 265 N 0.59 0.14 -0.36 2.37 9.09 -1.90 -0.56 114.58 123.95 3itt h GLU 265 Ca 0.07 -0.01 -0.13 0.00 0.05 0.00 0.00 59.36 59.34 3itt h GLU 265 Cb 0.82 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.87 3itt h GLU 265 CO 0.07 0.09 -0.31 1.98 0.05 0.00 0.00 179.01 180.89 3itt h MET 266 N 0.15 0.78 -0.78 1.06 4.05 -1.94 -2.02 114.93 116.23 3itt h MET 266 Ca 0.13 -0.36 0.01 0.00 -0.28 0.00 0.00 59.70 59.20 3itt h MET 266 Cb 0.32 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.07 3itt h MET 266 CO -0.02 0.98 0.51 0.82 0.23 0.00 0.00 176.91 179.44 3itt h ILE 267 N 0.66 1.19 -0.45 1.77 2.04 -1.13 0.01 117.51 121.60 3itt h ILE 267 Ca 0.07 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.59 3itt h ILE 267 Cb 0.85 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3itt h ILE 267 CO 0.07 0.19 0.28 0.58 0.00 0.00 0.00 178.15 179.27 3itt h VAL 268 N 1.04 1.07 -0.29 1.67 2.07 -1.12 -1.28 116.25 119.41 3itt h VAL 268 Ca 0.29 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 3itt h VAL 268 Cb -0.11 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3itt h VAL 268 CO -0.07 0.10 0.10 0.00 0.02 0.00 0.00 177.57 177.73 3itt h ALA 269 N 1.19 0.37 -0.38 1.67 0.00 -0.66 -1.85 119.26 119.60 3itt h ALA 269 Ca 0.18 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3itt h ALA 269 Cb -0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3itt h ALA 269 CO -0.07 -0.01 0.15 0.00 0.00 0.00 0.00 179.25 179.32 3itt h ARG 270 N 0.30 0.31 -0.72 0.00 2.47 -0.77 0.06 114.38 116.02 3itt h ARG 270 Ca 0.09 -0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.74 3itt h ARG 270 Cb 0.21 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.43 3itt h ARG 270 CO -0.01 0.20 0.24 -0.07 0.56 0.00 0.00 179.97 180.89 3itt h LEU 271 N 0.31 1.04 -0.23 3.04 3.38 -1.13 -2.35 115.31 119.37 3itt h LEU 271 Ca 0.17 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3itt h LEU 271 Cb 0.13 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3itt h LEU 271 CO -0.16 0.95 0.07 0.40 0.09 0.00 0.00 178.44 179.79 3itt h ILE 272 N 1.07 1.19 -0.70 1.22 2.04 -0.86 0.14 117.51 121.62 3itt h ILE 272 Ca 0.24 -0.62 0.11 0.00 1.00 0.00 0.00 64.86 65.59 3itt h ILE 272 Cb 0.28 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 3itt h ILE 272 CO -0.01 0.20 0.46 -0.61 0.00 0.00 0.00 178.15 178.19 3itt h GLN 273 N 0.20 0.47 -0.57 2.37 4.15 -0.70 -0.43 115.11 120.61 3itt h GLN 273 Ca 0.07 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3itt h GLN 273 Cb 0.24 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3itt h GLN 273 CO -0.00 0.31 0.00 1.19 -1.93 0.00 0.00 178.83 178.40 3itt n PHE 274 N -4.48 1.65 -2.54 3.99 3.72 -0.91 -4.96 117.46 113.92 3itt n PHE 274 Ca 0.12 -0.69 -0.17 0.00 -0.05 0.00 0.00 57.45 56.66 3itt n PHE 274 Cb 0.41 -0.36 -0.00 0.00 -0.94 0.00 0.00 39.48 38.59 3itt n PHE 274 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3itt n GLY 275 N 0.71 -0.50 0.29 1.37 0.00 -0.17 -4.89 105.19 102.00 3itt n GLY 275 Ca 0.26 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.38 3itt n GLY 275 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3itt n LYS 276 N -3.05 1.89 -2.98 1.61 4.76 0.39 -4.93 118.16 115.85 3itt n LYS 276 Ca -0.17 -2.54 -0.44 0.00 -2.87 0.00 0.00 58.31 52.29 3itt n LYS 276 Cb 0.64 -1.54 -0.04 0.00 -1.84 0.00 0.00 35.03 32.25 3itt n LYS 276 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3itt s LEU 277 N -2.65 4.94 0.13 -0.35 2.96 -1.21 0.39 118.68 122.90 3itt s LEU 277 Ca 0.32 -1.36 -0.06 0.00 -0.22 0.00 0.00 54.13 52.80 3itt s LEU 277 Cb 0.27 -2.36 -0.08 0.00 0.50 0.00 0.00 46.19 44.51 3itt s LEU 277 CO 0.05 -1.24 1.32 1.23 -1.32 0.00 0.00 176.35 176.39 3itt h GLY 278 N 10.58 0.56 0.00 7.98 0.00 -0.49 -3.43 103.07 118.27 3itt h GLY 278 Ca -0.22 -0.90 0.00 0.00 0.00 0.00 0.00 47.33 46.21 3itt h GLY 278 CO 1.13 0.80 0.00 0.61 0.00 0.00 0.00 176.54 179.08 3itt n GLY 279 N 0.83 -1.90 3.45 4.60 0.00 -1.19 -0.38 105.19 110.60 3itt n GLY 279 Ca -0.07 -1.14 -0.26 0.00 0.00 0.00 0.00 46.02 44.55 3itt n GLY 279 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3itt s PHE 280 N -2.11 2.33 -0.28 1.61 0.40 -0.71 -1.45 117.98 117.76 3itt s PHE 280 Ca 0.00 -0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.01 3itt s PHE 280 Cb 0.00 -1.11 0.08 0.00 0.51 0.00 0.00 43.02 42.50 3itt s PHE 280 CO 0.00 0.57 -0.03 -1.01 0.70 0.00 0.00 175.22 175.45 3itt s HIS 281 N -1.92 3.05 0.18 0.36 3.76 -0.07 -1.05 115.29 119.59 3itt s HIS 281 Ca 0.24 -2.32 -0.19 0.00 -0.15 0.00 0.00 55.06 52.64 3itt s HIS 281 Cb -0.07 -2.11 -0.08 0.00 1.11 0.00 0.00 32.58 31.43 3itt s HIS 281 CO 0.12 -0.87 0.67 -0.06 -0.85 0.00 0.00 174.74 173.74 3itt s PHE 282 N 1.17 3.69 0.00 1.40 0.08 0.78 -2.39 117.98 122.70 3itt s PHE 282 Ca -0.01 1.32 0.00 0.00 0.12 0.00 0.00 56.93 58.36 3itt s PHE 282 Cb -0.19 -2.56 0.00 0.00 -0.57 0.00 0.00 43.02 39.70 3itt s PHE 282 CO -0.08 0.41 0.00 0.27 -0.10 0.00 0.00 175.22 175.72 3itt n ASN 283 N 0.97 0.00 -4.40 1.36 2.04 -1.26 -1.33 115.26 112.64 3itt n ASN 283 Ca -0.05 0.00 -0.22 0.00 -0.44 0.00 0.00 54.58 53.88 3itt n ASN 283 Cb 0.51 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.66 3itt n ASN 283 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 3itt s ASP 284 N 0.00 2.31 0.06 0.53 -1.08 0.27 -4.63 116.67 114.12 3itt s ASP 284 Ca 0.00 -1.42 -0.28 0.00 -0.52 0.00 0.00 52.55 50.34 3itt s ASP 284 Cb 0.00 0.02 0.09 0.00 -1.46 0.00 0.00 42.92 41.56 3itt s ASP 284 CO 0.00 -0.66 1.00 -0.94 0.52 0.00 0.00 175.17 175.09 3itt s SER 285 N -3.49 -0.22 0.00 -0.34 1.04 -1.26 -1.47 113.70 107.96 3itt s SER 285 Ca 0.35 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.56 3itt s SER 285 Cb 0.08 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.59 3itt s SER 285 CO 0.15 -0.69 0.00 1.17 0.98 0.00 0.00 173.24 174.85 3itt n LYS 286 N -0.38 1.27 -0.02 4.02 4.81 -1.26 -4.77 118.16 121.83 3itt n LYS 286 Ca -0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.33 3itt n LYS 286 Cb 0.61 -0.73 -0.01 0.00 0.02 0.00 0.00 35.03 34.92 3itt n LYS 286 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3itt n TYR 287 N -1.42 0.00 0.00 5.64 4.01 -1.26 -5.09 117.16 119.04 3itt n TYR 287 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3itt n TYR 287 Cb 0.23 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 3itt n TYR 287 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3itt n GLY 288 N 2.45 5.28 2.88 2.72 0.00 -1.26 -4.92 105.19 112.34 3itt n GLY 288 Ca -0.07 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 3itt n GLY 288 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3itt n ASP 289 N 0.00 4.73 0.25 1.61 2.03 -1.24 -4.72 116.55 119.20 3itt n ASP 289 Ca 0.00 -3.02 0.12 0.00 0.52 0.00 0.00 54.79 52.42 3itt n ASP 289 Cb 0.00 -1.55 0.61 0.00 -0.72 0.00 0.00 41.12 39.47 3itt n ASP 289 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3itt h ASP 290 N 5.96 0.00 -3.90 1.67 3.32 -1.83 -3.47 116.42 118.16 3itt h ASP 290 Ca 0.44 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 57.09 3itt h ASP 290 Cb 0.65 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.22 3itt h ASP 290 CO 1.68 0.15 -0.56 0.47 -1.72 0.00 0.00 179.24 179.26 3itt n ASP 291 N -3.43 -5.79 -4.90 6.45 8.00 -1.22 -4.83 116.55 110.83 3itt n ASP 291 Ca -0.01 -0.15 -0.29 0.00 0.71 0.00 0.00 54.79 55.05 3itt n ASP 291 Cb 0.33 -4.75 0.07 0.00 -0.02 0.00 0.00 41.12 36.75 3itt n ASP 291 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3itt s LEU 292 N -6.35 2.68 0.09 0.64 1.43 -0.54 -1.72 118.68 114.91 3itt s LEU 292 Ca 0.17 0.90 -0.34 0.00 -1.03 0.00 0.00 54.13 53.83 3itt s LEU 292 Cb -0.08 -3.52 -0.14 0.00 0.03 0.00 0.00 46.19 42.49 3itt s LEU 292 CO 0.21 -1.67 1.63 0.47 0.23 0.00 0.00 176.35 177.23 3itt n ASP 293 N -3.17 3.07 -4.65 2.29 9.92 -1.26 -0.57 116.55 122.18 3itt n ASP 293 Ca 0.08 1.06 -0.45 0.00 -0.53 0.00 0.00 54.79 54.94 3itt n ASP 293 Cb 0.59 -1.39 -0.03 0.00 -0.64 0.00 0.00 41.12 39.65 3itt n ASP 293 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3itt n ALA 294 N 4.13 0.76 -0.76 2.24 0.00 -1.26 -1.37 120.51 124.24 3itt n ALA 294 Ca 0.18 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.04 3itt n ALA 294 Cb 0.28 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.51 3itt n ALA 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3itt n GLY 295 N 2.03 0.85 0.23 0.00 0.00 -1.26 -4.75 105.19 102.29 3itt n GLY 295 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 3itt n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itt h ALA 296 N 0.00 1.01 0.00 4.61 0.00 -1.59 -3.31 119.26 119.98 3itt h ALA 296 Ca 0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 3itt h ALA 296 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3itt h ALA 296 CO 0.00 0.20 -1.52 -0.89 0.00 0.00 0.00 179.25 177.05 3itt n ILE 297 N -3.29 0.51 -3.53 0.00 2.08 -1.26 -4.92 119.36 108.95 3itt n ILE 297 Ca 0.01 -0.14 -0.27 0.00 0.56 0.00 0.00 62.75 62.90 3itt n ILE 297 Cb 0.41 -1.45 -0.10 0.00 -0.75 0.00 0.00 39.64 37.75 3itt n ILE 297 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3itt n GLU 298 N -3.27 1.02 0.06 0.38 1.02 -1.26 -4.97 120.64 113.61 3itt n GLU 298 Ca -0.18 -3.76 0.05 0.00 -0.02 0.00 0.00 57.16 53.25 3itt n GLU 298 Cb 0.64 -1.87 0.47 0.00 -0.02 0.00 0.00 31.44 30.66 3itt n GLU 298 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3itt h PRO 299 N 5.19 0.42 -0.25 3.49 0.13 -1.91 -2.86 132.00 136.20 3itt h PRO 299 Ca 0.20 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.26 3itt h PRO 299 Cb 0.83 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 3itt h PRO 299 CO 0.54 0.28 -0.01 -0.92 -0.23 0.00 0.00 178.00 177.66 3itt h TYR 300 N 0.43 0.49 -0.98 1.56 3.20 -1.93 -2.25 116.97 117.49 3itt h TYR 300 Ca 0.12 -0.09 0.14 0.00 3.14 0.00 0.00 58.73 62.03 3itt h TYR 300 Cb -0.05 -0.13 -0.09 0.00 1.54 0.00 0.00 36.73 38.01 3itt h TYR 300 CO 0.00 0.63 0.60 -0.09 -1.64 0.00 0.00 178.16 177.66 3itt h ARG 301 N 0.22 0.87 -0.78 1.82 2.43 -1.94 0.15 114.38 117.15 3itt h ARG 301 Ca 0.07 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3itt h ARG 301 Cb 0.44 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 3itt h ARG 301 CO 0.02 0.58 0.41 1.25 -1.51 0.00 0.00 179.97 180.72 3itt h LEU 302 N 0.90 0.98 -0.42 3.80 5.85 -1.32 -1.95 115.31 123.14 3itt h LEU 302 Ca 0.51 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 59.04 3itt h LEU 302 Cb 0.60 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3itt h LEU 302 CO -0.30 0.80 -0.15 0.15 -0.34 0.00 0.00 178.44 178.60 3itt h PHE 303 N 1.09 0.96 -0.16 1.25 3.57 -0.24 -2.72 116.94 120.69 3itt h PHE 303 Ca 0.27 -0.22 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 3itt h PHE 303 Cb 0.05 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 3itt h PHE 303 CO 0.01 0.98 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.93 3itt h LEU 304 N 0.66 0.22 -0.11 0.59 3.38 -0.47 0.18 115.31 119.76 3itt h LEU 304 Ca 0.10 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3itt h LEU 304 Cb 0.70 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 3itt h LEU 304 CO 0.05 0.32 -0.05 0.58 0.09 0.00 0.00 178.44 179.44 3itt h VAL 305 N 0.23 1.31 0.00 1.22 2.07 -1.26 -2.70 116.25 117.13 3itt h VAL 305 Ca 0.05 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 3itt h VAL 305 Cb 0.27 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3itt h VAL 305 CO 0.01 0.30 -0.09 -0.26 0.02 0.00 0.00 177.57 177.55 3itt h PHE 306 N -0.12 0.00 -0.60 1.57 0.04 -1.09 -1.82 116.94 114.92 3itt h PHE 306 Ca 0.03 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.70 3itt h PHE 306 Cb 0.50 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 3itt h PHE 306 CO 0.06 0.09 0.01 -0.97 -0.60 0.00 0.00 178.31 176.90 3itt h ASN 307 N 0.00 1.01 -0.10 2.17 -1.24 -0.35 -0.18 115.58 116.89 3itt h ASN 307 Ca -0.00 -0.28 -0.13 0.00 0.71 0.00 0.00 56.30 56.60 3itt h ASN 307 Cb 0.32 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 3itt h ASN 307 CO 0.01 1.06 -0.38 -0.33 -1.29 0.00 0.00 177.43 176.50 3itt h GLU 308 N 0.95 0.61 -0.10 6.67 4.39 -1.10 -0.35 114.58 125.65 3itt h GLU 308 Ca 0.17 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 3itt h GLU 308 Cb 0.54 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3itt h GLU 308 CO 0.03 0.89 0.01 -0.07 -1.16 0.00 0.00 179.01 178.71 3itt h LEU 309 N 0.51 0.17 -0.92 1.33 3.38 -1.07 -1.68 115.31 117.04 3itt h LEU 309 Ca 0.05 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 3itt h LEU 309 Cb 0.88 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3itt h LEU 309 CO 0.08 0.41 -0.17 0.58 0.09 0.00 0.00 178.44 179.43 3itt h VAL 310 N -0.08 1.25 -0.57 1.22 2.07 -0.98 -2.59 116.25 116.57 3itt h VAL 310 Ca 0.03 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.32 3itt h VAL 310 Cb 0.32 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3itt h VAL 310 CO 0.00 0.39 0.14 -0.78 0.02 0.00 0.00 177.57 177.34 3itt h ASP 311 N 0.55 0.82 -0.81 0.57 3.58 -0.95 -1.46 116.42 118.72 3itt h ASP 311 Ca 0.09 -0.15 0.10 0.00 0.42 0.00 0.00 57.03 57.49 3itt h ASP 311 Cb 0.60 -0.21 -0.07 0.00 1.72 0.00 0.00 39.33 41.36 3itt h ASP 311 CO 0.04 0.80 0.46 0.00 -2.88 0.00 0.00 179.24 177.66 3itt h ALA 312 N 1.31 1.15 -0.28 -0.78 0.00 -0.90 0.39 119.26 120.15 3itt h ALA 312 Ca 0.18 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3itt h ALA 312 Cb 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3itt h ALA 312 CO -0.00 0.07 -0.09 1.49 0.00 0.00 0.00 179.25 180.72 3itt h GLU 313 N 0.76 0.56 -0.89 0.00 4.81 -1.39 -1.18 114.58 117.25 3itt h GLU 313 Ca 0.39 -0.22 0.05 0.00 -0.13 0.00 0.00 59.36 59.45 3itt h GLU 313 Cb 0.38 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.68 3itt h GLU 313 CO -0.25 0.78 0.58 0.00 -0.73 0.00 0.00 179.01 179.38 3itt h ALA 314 N 0.77 1.48 0.00 2.92 0.00 -0.15 -0.07 119.26 124.21 3itt h ALA 314 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3itt h ALA 314 Cb 0.58 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3itt h ALA 314 CO 0.03 0.41 0.00 0.54 0.00 0.00 0.00 179.25 180.23 3itt n ARG 315 N -4.46 0.19 -0.88 0.00 1.74 0.12 -4.91 116.66 108.46 3itt n ARG 315 Ca 0.12 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 3itt n ARG 315 Cb 0.15 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 3itt n ARG 315 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3itt n GLY 316 N 0.56 0.91 3.74 -0.13 0.00 -0.04 -5.03 105.19 105.20 3itt n GLY 316 Ca 0.04 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 3itt n GLY 316 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3itt s VAL 317 N -2.00 2.79 0.15 1.61 1.01 -0.48 -5.00 120.40 118.48 3itt s VAL 317 Ca 0.00 0.65 0.05 0.00 0.00 0.00 0.00 61.98 62.68 3itt s VAL 317 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 3itt s VAL 317 CO 0.00 0.10 0.11 -0.54 0.00 0.00 0.00 175.10 174.76 3itt s LYS 318 N -0.19 2.82 -1.19 2.72 3.01 -1.26 -4.51 119.74 121.15 3itt s LYS 318 Ca 0.60 -0.87 0.00 0.00 -1.01 0.00 0.00 55.97 54.68 3itt s LYS 318 Cb -0.41 -2.62 0.00 0.00 -1.01 0.00 0.00 37.83 33.80 3itt s LYS 318 CO 0.41 0.49 0.00 0.41 0.51 0.00 0.00 175.35 177.17 3itt n GLY 319 N -0.18 1.23 3.37 -3.33 0.00 -1.26 -4.96 105.19 100.05 3itt n GLY 319 Ca -0.09 -0.41 -0.45 0.00 0.00 0.00 0.00 46.02 45.08 3itt n GLY 319 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3itt s PHE 320 N -2.36 3.13 -0.48 1.61 5.36 -1.26 -4.93 117.98 119.04 3itt s PHE 320 Ca 0.00 -1.16 0.06 0.00 -0.96 0.00 0.00 56.93 54.87 3itt s PHE 320 Cb 0.00 -3.99 0.20 0.00 -0.34 0.00 0.00 43.02 38.89 3itt s PHE 320 CO 0.00 -1.25 0.47 0.72 -1.46 0.00 0.00 175.22 173.70 3itt n HIS 321 N 5.96 0.50 -1.83 10.12 8.25 -1.26 -5.07 115.22 131.88 3itt n HIS 321 Ca -0.04 -3.65 -0.36 0.00 -0.26 0.00 0.00 57.72 53.40 3itt n HIS 321 Cb 0.43 -0.17 0.05 0.00 1.12 0.00 0.00 29.99 31.43 3itt n HIS 321 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3itt s PRO 322 N -0.88 2.70 -0.38 -0.41 0.04 -1.26 -4.98 135.00 129.83 3itt s PRO 322 Ca 0.33 1.90 -0.18 0.00 0.04 0.00 0.00 61.00 63.10 3itt s PRO 322 Cb 0.08 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.74 3itt s PRO 322 CO -0.14 -1.44 0.49 0.00 0.04 0.00 0.00 177.00 175.95 3itt s ALA 323 N -1.58 3.44 -0.04 8.56 0.00 0.49 -4.91 121.76 127.73 3itt s ALA 323 Ca 0.79 -1.21 -0.16 0.00 0.00 0.00 0.00 51.96 51.37 3itt s ALA 323 Cb -0.33 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 3itt s ALA 323 CO 0.37 -1.40 0.45 -1.01 0.00 0.00 0.00 175.76 174.17 3itt s HIS 324 N 2.35 3.65 -0.06 0.00 3.76 -1.26 -1.74 115.29 121.98 3itt s HIS 324 Ca 0.17 0.98 -0.12 0.00 -0.15 0.00 0.00 55.06 55.94 3itt s HIS 324 Cb -0.16 -2.41 0.02 0.00 1.11 0.00 0.00 32.58 31.14 3itt s HIS 324 CO 0.14 0.45 0.28 -1.64 -0.85 0.00 0.00 174.74 173.12 3itt s MET 325 N -0.42 0.49 -0.16 1.40 -1.94 -0.22 -1.50 119.30 116.94 3itt s MET 325 Ca 0.25 0.07 -0.21 0.00 -1.71 0.00 0.00 55.69 54.09 3itt s MET 325 Cb -0.16 0.22 -0.03 0.00 2.01 0.00 0.00 34.83 36.87 3itt s MET 325 CO 0.13 -0.10 0.62 0.42 -0.01 0.00 0.00 175.02 176.07 3itt s ILE 326 N -0.61 5.05 -0.50 2.53 1.01 -0.18 -0.16 121.20 128.33 3itt s ILE 326 Ca -0.07 1.19 0.03 0.00 0.00 0.00 0.00 60.65 61.80 3itt s ILE 326 Cb -0.04 -3.94 0.14 0.00 0.01 0.00 0.00 42.46 38.63 3itt s ILE 326 CO 0.02 0.17 0.28 -0.62 0.00 0.00 0.00 174.94 174.79 3itt s ASP 327 N 1.04 4.04 0.12 3.58 -1.08 -0.44 -3.75 116.67 120.18 3itt s ASP 327 Ca 0.30 -2.95 0.02 0.00 -0.52 0.00 0.00 52.55 49.39 3itt s ASP 327 Cb -0.16 -1.38 -0.04 0.00 -1.46 0.00 0.00 42.92 39.88 3itt s ASP 327 CO 0.12 -0.23 -0.05 -1.10 0.52 0.00 0.00 175.17 174.43 3itt s GLN 328 N -0.16 0.91 -0.05 4.34 -0.21 -1.26 -4.56 119.66 118.67 3itt s GLN 328 Ca 0.18 -1.39 0.03 0.00 0.02 0.00 0.00 55.36 54.21 3itt s GLN 328 Cb -0.23 -0.22 0.00 0.00 1.00 0.00 0.00 33.01 33.57 3itt s GLN 328 CO -0.02 -0.05 -0.14 0.15 -2.12 0.00 0.00 175.29 173.11 3itt s LYS 329 N -3.86 1.56 -0.35 2.91 3.01 -0.70 -4.51 119.74 117.81 3itt s LYS 329 Ca 0.15 -0.48 -0.01 0.00 -1.01 0.00 0.00 55.97 54.62 3itt s LYS 329 Cb 0.05 -1.35 0.08 0.00 -1.01 0.00 0.00 37.83 35.60 3itt s LYS 329 CO -0.02 0.15 0.09 -1.01 0.51 0.00 0.00 175.35 175.06 3itt s HIS 330 N 0.26 3.46 -0.14 3.18 3.76 -1.26 -4.61 115.29 119.94 3itt s HIS 330 Ca -0.07 -2.24 0.21 0.00 -0.15 0.00 0.00 55.06 52.81 3itt s HIS 330 Cb -0.12 -2.67 -0.17 0.00 1.11 0.00 0.00 32.58 30.73 3itt s HIS 330 CO 0.02 -0.89 0.73 0.09 -0.85 0.00 0.00 174.74 173.84 3itt n ASN 331 N 4.56 0.47 -1.12 1.40 3.02 -1.26 -1.15 115.26 121.18 3itt n ASN 331 Ca -0.06 0.19 0.04 0.00 -0.03 0.00 0.00 54.58 54.71 3itt n ASN 331 Cb 0.42 1.02 0.05 0.00 -0.61 0.00 0.00 39.78 40.67 3itt n ASN 331 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3itt n VAL 332 N -2.56 0.44 -4.08 2.41 0.24 -1.26 -4.74 118.33 108.79 3itt n VAL 332 Ca -0.05 -1.25 -0.10 0.00 -2.04 0.00 0.00 64.34 60.89 3itt n VAL 332 Cb 0.65 0.66 -0.07 0.00 -1.47 0.00 0.00 33.84 33.60 3itt n VAL 332 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3itt s THR 333 N -0.65 0.00 -0.29 3.34 -4.23 -1.26 -5.10 115.64 107.44 3itt s THR 333 Ca 0.29 -1.64 -0.29 0.00 -1.18 0.00 0.00 61.69 58.87 3itt s THR 333 Cb 0.31 -2.33 -0.00 0.00 1.34 0.00 0.00 72.50 71.82 3itt s THR 333 CO -0.12 0.00 1.38 -0.62 -0.54 0.00 0.00 174.62 174.72 3itt s ASP 334 N -3.08 6.58 0.39 3.99 -1.08 -1.26 -4.88 116.67 117.33 3itt s ASP 334 Ca 0.29 1.26 0.19 0.00 -0.52 0.00 0.00 52.55 53.77 3itt s ASP 334 Cb 0.02 -2.54 1.12 0.00 -1.46 0.00 0.00 42.92 40.07 3itt s ASP 334 CO 0.11 -1.15 1.74 -0.65 0.52 0.00 0.00 175.17 175.73 3itt h PRO 335 N 9.73 0.36 -0.34 4.34 0.11 -1.86 0.20 132.00 144.53 3itt h PRO 335 Ca -0.28 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.72 3itt h PRO 335 Cb 1.11 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3itt h PRO 335 CO 1.03 0.24 -0.13 0.82 -0.21 0.00 0.00 178.00 179.75 3itt h ILE 336 N 0.37 1.28 -0.53 4.15 2.04 -1.85 -1.29 117.51 121.68 3itt h ILE 336 Ca 0.64 -1.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.21 3itt h ILE 336 Cb 1.64 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 39.06 3itt h ILE 336 CO -0.36 0.40 0.07 -0.33 0.00 0.00 0.00 178.15 177.93 3itt h GLU 337 N 0.47 0.89 -0.36 2.37 5.08 -1.41 -0.84 114.58 120.79 3itt h GLU 337 Ca 0.08 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 3itt h GLU 337 Cb 0.65 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3itt h GLU 337 CO 0.04 0.88 0.14 0.77 -1.00 0.00 0.00 179.01 179.84 3itt h SER 338 N 0.77 0.50 -0.44 1.42 0.02 -1.16 -1.65 113.55 113.01 3itt h SER 338 Ca 0.16 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 3itt h SER 338 Cb 0.43 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 3itt h SER 338 CO 0.01 0.53 0.11 -0.07 -1.14 0.00 0.00 176.83 176.27 3itt h LEU 339 N 0.44 0.73 0.59 5.07 3.38 -1.12 0.10 115.31 124.49 3itt h LEU 339 Ca 0.12 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3itt h LEU 339 Cb 0.19 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3itt h LEU 339 CO -0.01 0.73 -0.30 0.40 0.09 0.00 0.00 178.44 179.34 3itt h ILE 340 N 0.75 0.38 0.00 1.22 2.04 -0.79 -0.47 117.51 120.64 3itt h ILE 340 Ca 0.16 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.96 3itt h ILE 340 Cb 0.30 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3itt h ILE 340 CO 0.00 0.00 -0.29 0.78 0.00 0.00 0.00 178.15 178.64 3itt h ASN 341 N -0.82 0.00 -0.22 1.72 2.35 -1.14 -1.74 115.58 115.73 3itt h ASN 341 Ca -0.08 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.58 3itt h ASN 341 Cb 0.64 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.01 3itt h ASN 341 CO 0.12 0.29 -0.23 0.28 -1.65 0.00 0.00 177.43 176.24 3itt h SER 342 N 0.00 0.58 -0.61 5.81 0.02 -0.63 -0.83 113.55 117.90 3itt h SER 342 Ca -0.00 -0.48 -0.04 0.00 -0.84 0.00 0.00 61.79 60.43 3itt h SER 342 Cb 0.63 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 3itt h SER 342 CO 0.04 0.94 0.25 0.00 -1.14 0.00 0.00 176.83 176.92 3itt h ALA 343 N 0.66 1.25 -0.61 3.77 0.00 -0.82 -1.73 119.26 121.78 3itt h ALA 343 Ca 0.03 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3itt h ALA 343 Cb 0.78 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3itt h ALA 343 CO 0.06 0.55 0.05 -0.91 0.00 0.00 0.00 179.25 179.00 3itt h ASN 344 N 0.92 1.02 -0.00 0.00 -0.26 -1.16 -2.49 115.58 113.60 3itt h ASN 344 Ca 0.22 -0.29 -0.08 0.00 -0.56 0.00 0.00 56.30 55.59 3itt h ASN 344 Cb 0.18 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 3itt h ASN 344 CO -0.02 1.05 -0.24 -0.08 -1.06 0.00 0.00 177.43 177.09 3itt h GLU 345 N 0.95 0.39 -0.46 0.81 4.57 -0.65 0.07 114.58 120.27 3itt h GLU 345 Ca 0.18 -0.14 -0.14 0.00 -1.18 0.00 0.00 59.36 58.08 3itt h GLU 345 Cb 0.50 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 3itt h GLU 345 CO 0.02 0.61 -0.26 0.82 -1.18 0.00 0.00 179.01 179.02 3itt h ILE 346 N 0.35 1.27 -0.00 2.32 2.04 -1.16 -1.49 117.51 120.84 3itt h ILE 346 Ca 0.06 -1.42 -0.11 0.00 1.00 0.00 0.00 64.86 64.38 3itt h ILE 346 Cb 0.61 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 3itt h ILE 346 CO 0.04 0.49 -0.53 0.03 0.00 0.00 0.00 178.15 178.18 3itt h ARG 347 N 0.83 0.00 -0.04 2.37 3.08 -1.06 -2.21 114.38 117.35 3itt h ARG 347 Ca 0.10 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 3itt h ARG 347 Cb 0.84 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 3itt h ARG 347 CO 0.07 0.53 0.01 -0.09 -1.07 0.00 0.00 179.97 179.42 3itt h ARG 348 N 0.00 0.06 -0.72 0.04 2.43 -0.59 -0.31 114.38 115.29 3itt h ARG 348 Ca -0.01 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3itt h ARG 348 Cb 0.93 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 3itt h ARG 348 CO 0.07 0.26 0.25 0.00 -1.51 0.00 0.00 179.97 179.03 3itt h ALA 349 N 0.80 0.94 -0.44 2.80 0.00 -1.23 -1.84 119.26 120.29 3itt h ALA 349 Ca 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3itt h ALA 349 Cb 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3itt h ALA 349 CO -0.00 0.60 0.22 -0.92 0.00 0.00 0.00 179.25 179.15 3itt h TYR 350 N 1.05 0.63 -0.44 0.00 3.20 -1.27 -0.98 116.97 119.15 3itt h TYR 350 Ca 0.23 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.09 3itt h TYR 350 Cb 0.28 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 3itt h TYR 350 CO 0.02 0.50 0.27 0.00 -1.64 0.00 0.00 178.16 177.31 3itt h ALA 351 N 1.07 0.56 -0.76 1.82 0.00 -0.80 -1.55 119.26 119.59 3itt h ALA 351 Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3itt h ALA 351 Cb 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3itt h ALA 351 CO -0.02 -0.03 0.39 1.96 0.00 0.00 0.00 179.25 181.55 3itt h GLN 352 N 0.56 1.08 -0.84 0.00 4.20 -1.12 -1.89 115.11 117.10 3itt h GLN 352 Ca 0.17 -0.14 0.02 0.00 0.06 0.00 0.00 58.65 58.76 3itt h GLN 352 Cb -0.02 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.51 3itt h GLN 352 CO -0.06 0.82 0.56 0.00 -0.67 0.00 0.00 178.83 179.48 3itt h ALA 353 N 1.20 1.44 0.00 3.87 0.00 -0.69 -0.40 119.26 124.68 3itt h ALA 353 Ca 0.26 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3itt h ALA 353 Cb 0.08 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3itt h ALA 353 CO -0.04 0.50 -0.09 -0.07 0.00 0.00 0.00 179.25 179.56 3itt h LEU 354 N 1.10 0.00 -0.04 0.00 3.38 -0.49 -2.64 115.31 116.62 3itt h LEU 354 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3itt h LEU 354 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3itt h LEU 354 CO -0.08 0.09 0.00 -0.07 0.09 0.00 0.00 178.44 178.46 3itt h LEU 355 N 0.00 0.00 -9.59 1.67 3.38 -0.67 -3.46 115.31 106.63 3itt h LEU 355 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 3itt h LEU 355 Cb 0.37 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.18 3itt h LEU 355 CO 0.01 0.00 0.93 0.52 0.09 0.00 0.00 178.44 179.99 3itt n VAL 356 N -2.41 0.01 -2.61 1.22 0.31 -1.00 -4.79 118.33 109.07 3itt n VAL 356 Ca 0.05 -0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.96 3itt n VAL 356 Cb 0.44 -1.81 -0.03 0.00 -0.91 0.00 0.00 33.84 31.53 3itt n VAL 356 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3itt s ASP 357 N 1.13 6.36 0.24 4.52 -1.08 -1.26 -4.87 116.67 121.71 3itt s ASP 357 Ca 0.77 -1.10 -0.07 0.00 -0.52 0.00 0.00 52.55 51.63 3itt s ASP 357 Cb -0.57 -2.54 0.24 0.00 -1.46 0.00 0.00 42.92 38.59 3itt s ASP 357 CO 0.35 -1.59 1.91 0.03 0.52 0.00 0.00 175.17 176.39 3itt h ARG 358 N 9.78 1.19 -0.43 4.34 2.47 -1.96 -0.30 114.38 129.48 3itt h ARG 358 Ca -0.02 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.60 3itt h ARG 358 Cb 1.03 -0.27 -0.02 0.00 -1.65 0.00 0.00 29.97 29.06 3itt h ARG 358 CO 1.33 0.79 0.15 0.00 0.56 0.00 0.00 179.97 182.79 3itt h ALA 359 N 1.35 0.56 -0.15 0.04 0.00 -2.00 -0.43 119.26 118.63 3itt h ALA 359 Ca 0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3itt h ALA 359 Cb -0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3itt h ALA 359 CO -0.08 0.19 0.07 0.00 0.00 0.00 0.00 179.25 179.42 3itt h ALA 360 N 0.99 0.19 -0.48 0.00 0.00 -1.89 -2.32 119.26 115.75 3itt h ALA 360 Ca 0.14 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3itt h ALA 360 Cb 0.24 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3itt h ALA 360 CO -0.01 -0.23 0.23 1.25 0.00 0.00 0.00 179.25 180.50 3itt h LEU 361 N 0.10 0.33 -0.74 0.00 5.85 -0.89 -2.14 115.31 117.82 3itt h LEU 361 Ca 0.05 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.87 3itt h LEU 361 Cb 0.15 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 3itt h LEU 361 CO -0.01 0.23 0.42 0.28 -0.34 0.00 0.00 178.44 179.02 3itt h SER 362 N 0.46 0.61 -0.40 1.25 0.02 -0.91 -0.67 113.55 113.92 3itt h SER 362 Ca 0.21 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 3itt h SER 362 Cb 0.12 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3itt h SER 362 CO -0.15 0.38 0.19 1.23 -1.14 0.00 0.00 176.83 177.34 3itt h GLY 363 N 0.74 0.61 2.00 -3.77 0.00 -0.85 -0.90 103.07 100.90 3itt h GLY 363 Ca 0.34 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 3itt h GLY 363 CO -0.20 0.29 -0.29 -0.97 0.00 0.00 0.00 176.54 175.37 3itt h TYR 364 N 0.50 0.00 -0.06 5.60 0.05 -0.86 -1.11 116.97 121.09 3itt h TYR 364 Ca 0.14 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.77 3itt h TYR 364 Cb 0.12 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.87 3itt h TYR 364 CO -0.01 0.29 -0.51 1.96 -1.05 0.00 0.00 178.16 178.83 3itt h GLN 365 N 0.00 0.46 -0.52 4.88 4.20 -0.79 0.44 115.11 123.78 3itt h GLN 365 Ca -0.00 -0.41 -0.05 0.00 0.06 0.00 0.00 58.65 58.25 3itt h GLN 365 Cb 0.59 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 3itt h GLN 365 CO 0.04 1.05 0.13 0.93 -0.67 0.00 0.00 178.83 180.31 3itt h GLU 366 N 0.01 0.78 -0.01 1.46 4.39 -0.89 -2.38 114.58 117.94 3itt h GLU 366 Ca -0.05 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.50 3itt h GLU 366 Cb 1.18 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 3itt h GLU 366 CO 0.10 0.70 -0.07 -0.25 -1.16 0.00 0.00 179.01 178.34 3itt n ASP 367 N -4.29 0.81 -3.15 1.42 8.00 -0.45 -4.94 116.55 113.97 3itt n ASP 367 Ca 0.04 -1.03 -0.21 0.00 0.71 0.00 0.00 54.79 54.29 3itt n ASP 367 Cb 0.22 -0.01 0.06 0.00 -0.02 0.00 0.00 41.12 41.37 3itt n ASP 367 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3itt n ASN 368 N -0.52 -5.91 -4.11 -2.24 4.13 -0.77 -4.92 115.26 100.93 3itt n ASN 368 Ca 0.18 -0.43 -0.43 0.00 1.68 0.00 0.00 54.58 55.58 3itt n ASN 368 Cb 0.28 -4.58 0.01 0.00 -1.54 0.00 0.00 39.78 33.94 3itt n ASN 368 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3itt n ASP 369 N -2.45 5.74 -0.25 6.41 -0.08 0.07 -4.88 116.55 121.11 3itt n ASP 369 Ca -0.02 -3.20 0.06 0.00 -1.51 0.00 0.00 54.79 50.12 3itt n ASP 369 Cb 0.57 -1.39 0.18 0.00 2.34 0.00 0.00 41.12 42.82 3itt n ASP 369 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3itt h ALA 370 N 6.01 0.89 -0.10 -1.67 0.00 -1.91 -1.35 119.26 121.12 3itt h ALA 370 Ca 0.26 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3itt h ALA 370 Cb 0.71 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3itt h ALA 370 CO 1.33 -0.40 0.06 1.25 0.00 0.00 0.00 179.25 181.49 3itt h LEU 371 N 0.17 0.11 -0.94 0.00 6.46 -1.96 -1.34 115.31 117.81 3itt h LEU 371 Ca 0.42 -0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 58.11 3itt h LEU 371 Cb 0.75 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 3itt h LEU 371 CO -0.60 0.08 -0.35 0.24 -0.62 0.00 0.00 178.44 177.19 3itt h MET 372 N 0.13 0.00 -0.22 1.25 2.86 -1.86 -1.02 114.93 116.06 3itt h MET 372 Ca 0.04 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 3itt h MET 372 Cb -0.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 3itt h MET 372 CO -0.01 0.35 -0.14 0.00 1.06 0.00 0.00 176.91 178.17 3itt h ALA 373 N 1.65 0.32 -0.13 6.32 0.00 -0.95 -0.12 119.26 126.35 3itt h ALA 373 Ca -0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 3itt h ALA 373 Cb 0.89 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3itt h ALA 373 CO 0.05 0.20 -0.52 0.00 0.00 0.00 0.00 179.25 178.97 3itt h THR 374 N 0.19 1.34 0.00 0.00 1.03 -1.13 -2.45 112.91 111.90 3itt h THR 374 Ca 0.05 -1.78 -0.08 0.00 -0.01 0.00 0.00 66.41 64.59 3itt h THR 374 Cb 0.66 1.82 -0.01 0.00 -1.07 0.00 0.00 68.15 69.55 3itt h THR 374 CO 0.04 0.54 -0.38 -0.08 -0.01 0.00 0.00 175.52 175.63 3itt h GLU 375 N 0.28 0.00 -0.12 0.00 4.57 -1.09 -0.94 114.58 117.28 3itt h GLU 375 Ca 0.01 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.07 3itt h GLU 375 Cb 1.01 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.59 3itt h GLU 375 CO 0.09 0.38 -0.47 1.15 -1.18 0.00 0.00 179.01 178.98 3itt h THR 376 N 0.00 1.33 0.00 0.32 2.02 -0.54 -0.12 112.91 115.92 3itt h THR 376 Ca -0.00 -1.66 -0.24 0.00 0.77 0.00 0.00 66.41 65.27 3itt h THR 376 Cb 0.78 1.75 0.02 0.00 -1.74 0.00 0.00 68.15 68.97 3itt h THR 376 CO 0.05 0.50 -0.95 -0.07 0.37 0.00 0.00 175.52 175.41 3itt h LEU 377 N 0.24 0.83 -1.18 2.58 3.38 -1.16 -3.26 115.31 116.75 3itt h LEU 377 Ca 0.01 -0.75 -0.02 0.00 0.09 0.00 0.00 57.88 57.21 3itt h LEU 377 Cb 0.92 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3itt h LEU 377 CO 0.08 1.47 0.27 0.11 0.09 0.00 0.00 178.44 180.45 3itt h LYS 378 N 0.28 0.84 -0.49 1.13 1.79 -0.99 -0.58 116.57 118.55 3itt h LYS 378 Ca -0.12 -0.11 0.03 0.00 -2.18 0.00 0.00 60.65 58.26 3itt h LYS 378 Cb 1.62 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 32.09 3itt h LYS 378 CO 0.19 0.66 0.33 0.00 -1.08 0.00 0.00 179.45 179.55 3itt h ARG 379 N 0.84 0.56 0.06 3.15 3.08 -1.06 0.26 114.38 121.27 3itt h ARG 379 Ca 0.20 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 3itt h ARG 379 Cb 0.11 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3itt h ARG 379 CO -0.02 0.37 -0.03 0.00 -1.07 0.00 0.00 179.97 179.22 3itt h ALA 380 N 1.71 -0.07 -0.78 0.04 0.00 -1.44 -3.30 119.26 115.42 3itt h ALA 380 Ca 0.20 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.86 3itt h ALA 380 Cb 0.07 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 3itt h ALA 380 CO -0.05 -0.15 0.46 -0.92 0.00 0.00 0.00 179.25 178.59 3itt h TYR 381 N -0.86 0.85 0.00 0.00 3.20 -0.71 -2.09 116.97 117.35 3itt h TYR 381 Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3itt h TYR 381 Cb 0.64 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.65 3itt h TYR 381 CO 0.15 0.41 0.00 0.54 -1.64 0.00 0.00 178.16 177.63 3itt n ARG 382 N -4.70 0.13 -2.22 1.82 1.74 0.89 -4.74 116.66 109.58 3itt n ARG 382 Ca 0.11 0.40 -0.42 0.00 -0.77 0.00 0.00 57.85 57.16 3itt n ARG 382 Cb 0.19 -1.76 -0.03 0.00 -1.02 0.00 0.00 32.46 29.84 3itt n ARG 382 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3itt s THR 383 N -3.23 3.69 -0.73 0.55 2.01 -0.79 -4.95 115.64 112.19 3itt s THR 383 Ca 0.04 1.09 -0.27 0.00 0.31 0.00 0.00 61.69 62.87 3itt s THR 383 Cb 0.09 -3.70 0.03 0.00 0.01 0.00 0.00 72.50 68.93 3itt s THR 383 CO 0.32 0.01 1.25 -0.62 -0.69 0.00 0.00 174.62 174.89 3itt s ASP 384 N 1.82 6.16 0.00 3.53 2.15 -1.26 -4.85 116.67 124.21 3itt s ASP 384 Ca 0.64 -0.51 0.13 0.00 0.43 0.00 0.00 52.55 53.23 3itt s ASP 384 Cb -0.32 -2.55 0.38 0.00 -0.30 0.00 0.00 42.92 40.14 3itt s ASP 384 CO 0.27 -1.80 1.31 1.33 -0.17 0.00 0.00 175.17 176.11 3itt n VAL 385 N 6.34 0.49 -0.35 1.11 0.24 -1.26 -4.43 118.33 120.47 3itt n VAL 385 Ca 0.03 -0.51 0.11 0.00 -2.04 0.00 0.00 64.34 61.93 3itt n VAL 385 Cb 0.49 0.28 0.29 0.00 -1.47 0.00 0.00 33.84 33.42 3itt n VAL 385 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3itt h GLU 386 N 2.29 0.78 -1.00 7.34 4.57 -1.97 -0.60 114.58 125.98 3itt h GLU 386 Ca 0.00 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3itt h GLU 386 Cb 0.52 -0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 28.89 3itt h GLU 386 CO 0.00 0.51 0.66 -1.35 -1.18 0.00 0.00 179.01 177.66 3itt h PRO 387 N 0.80 1.31 -0.64 0.92 0.11 -1.92 0.22 132.00 132.80 3itt h PRO 387 Ca 0.55 -0.08 -0.09 0.00 0.11 0.00 0.00 66.00 66.49 3itt h PRO 387 Cb 0.77 -0.30 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 3itt h PRO 387 CO -0.35 0.87 0.04 0.82 -0.21 0.00 0.00 178.00 179.17 3itt h ILE 388 N 1.35 1.27 -0.18 4.15 2.04 -1.47 -0.29 117.51 124.37 3itt h ILE 388 Ca 0.37 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 3itt h ILE 388 Cb -0.14 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3itt h ILE 388 CO -0.08 0.41 0.01 -0.07 0.00 0.00 0.00 178.15 178.42 3itt h LEU 389 N 1.01 0.30 -0.47 1.44 3.38 -0.59 -0.99 115.31 119.40 3itt h LEU 389 Ca 0.19 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3itt h LEU 389 Cb 0.52 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3itt h LEU 389 CO 0.02 0.53 0.15 0.00 0.09 0.00 0.00 178.44 179.23 3itt h ALA 390 N 0.79 0.61 -0.35 1.53 0.00 -0.49 -2.08 119.26 119.26 3itt h ALA 390 Ca 0.05 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3itt h ALA 390 Cb 0.37 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3itt h ALA 390 CO 0.01 0.26 -0.14 1.49 0.00 0.00 0.00 179.25 180.86 3itt h GLU 391 N 0.62 0.63 -0.17 0.00 4.57 -1.04 -0.03 114.58 119.15 3itt h GLU 391 Ca 0.15 -0.21 0.01 0.00 -1.18 0.00 0.00 59.36 58.13 3itt h GLU 391 Cb 0.26 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 3itt h GLU 391 CO -0.01 0.75 0.08 0.00 -1.18 0.00 0.00 179.01 178.66 3itt h ALA 392 N 1.27 0.20 -0.02 2.92 0.00 -0.91 -0.23 119.26 122.50 3itt h ALA 392 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3itt h ALA 392 Cb 0.58 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3itt h ALA 392 CO 0.04 -0.34 0.01 0.00 0.00 0.00 0.00 179.25 178.95 3itt h ARG 393 N 0.18 0.02 -0.90 0.00 3.08 -0.99 -2.52 114.38 113.26 3itt h ARG 393 Ca 0.07 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.20 3itt h ARG 393 Cb 0.01 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 3itt h ARG 393 CO -0.05 0.08 0.54 -0.09 -1.07 0.00 0.00 179.97 179.39 3itt h ARG 394 N -0.04 0.90 0.00 0.04 2.43 -0.76 0.67 114.38 117.63 3itt h ARG 394 Ca 0.01 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 3itt h ARG 394 Cb 0.06 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 3itt h ARG 394 CO -0.00 0.60 -0.23 0.00 -1.51 0.00 0.00 179.97 178.83 3itt h ARG 395 N 0.93 0.00 -0.46 0.20 3.08 -0.88 -3.23 114.38 114.02 3itt h ARG 395 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 3itt h ARG 395 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3itt h ARG 395 CO -0.23 0.23 0.00 0.25 -1.07 0.00 0.00 179.97 179.15 3itt n THR 396 N -3.37 2.02 -0.35 2.04 -2.24 -0.80 -4.94 114.28 106.64 3itt n THR 396 Ca 0.00 -1.43 0.00 0.00 -2.27 0.00 0.00 64.05 60.36 3itt n THR 396 Cb 0.44 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 3itt n THR 396 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3itt n GLY 397 N 0.41 0.79 0.00 3.38 0.00 -1.02 -5.00 105.19 103.75 3itt n GLY 397 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3itt n GLY 397 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3itt n GLY 398 N -2.25 1.17 3.68 -0.02 0.00 0.23 -4.84 105.19 103.14 3itt n GLY 398 Ca 0.00 -1.98 -0.35 0.00 0.00 0.00 0.00 46.02 43.69 3itt n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itt s ALA 399 N -2.52 3.26 0.23 4.61 0.00 -0.60 -4.22 121.76 122.53 3itt s ALA 399 Ca 0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 51.96 51.05 3itt s ALA 399 Cb 0.00 -1.44 0.22 0.00 0.00 0.00 0.00 23.12 21.89 3itt s ALA 399 CO 0.00 0.60 1.90 0.28 0.00 0.00 0.00 175.76 178.54 3itt h VAL 400 N 4.08 1.22 -3.06 0.00 2.07 -1.87 -3.31 116.25 115.38 3itt h VAL 400 Ca -0.50 -0.41 -0.62 0.00 0.82 0.00 0.00 66.70 65.99 3itt h VAL 400 Cb 1.19 -0.08 -0.40 0.00 -1.52 0.00 0.00 31.29 30.48 3itt h VAL 400 CO 0.54 0.22 -0.72 -0.62 0.02 0.00 0.00 177.57 177.02 3itt s ASP 401 N -5.99 3.77 0.15 0.57 -1.08 -1.26 -4.71 116.67 108.12 3itt s ASP 401 Ca -0.13 -2.75 -0.28 0.00 -0.52 0.00 0.00 52.55 48.87 3itt s ASP 401 Cb 0.17 -1.16 -0.02 0.00 -1.46 0.00 0.00 42.92 40.45 3itt s ASP 401 CO 0.80 -0.25 1.57 -0.65 0.52 0.00 0.00 175.17 177.15 3itt h PRO 402 N 6.62 -0.33 -0.59 4.34 0.11 -1.85 -0.87 132.00 139.44 3itt h PRO 402 Ca -0.01 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.08 3itt h PRO 402 Cb 0.91 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 3itt h PRO 402 CO 0.53 -0.22 0.19 0.28 -0.21 0.00 0.00 178.00 178.57 3itt h VAL 403 N -0.34 1.22 -0.58 3.15 2.07 -1.95 0.56 116.25 120.38 3itt h VAL 403 Ca 0.13 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 3itt h VAL 403 Cb 0.59 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3itt h VAL 403 CO -0.59 0.29 0.12 0.00 0.02 0.00 0.00 177.57 177.42 3itt h ALA 404 N 1.35 0.76 -0.44 1.67 0.00 -1.88 -1.21 119.26 119.50 3itt h ALA 404 Ca 0.20 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3itt h ALA 404 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3itt h ALA 404 CO -0.01 0.49 -0.14 1.15 0.00 0.00 0.00 179.25 180.73 3itt h THR 405 N 0.84 1.27 -0.53 0.00 2.02 -0.84 -1.06 112.91 114.61 3itt h THR 405 Ca 0.18 -1.27 0.06 0.00 0.77 0.00 0.00 66.41 66.14 3itt h THR 405 Cb 0.38 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.91 3itt h THR 405 CO 0.01 0.43 0.25 0.22 0.37 0.00 0.00 175.52 176.80 3itt h TYR 406 N 0.71 0.45 -0.30 3.16 3.20 -0.69 -0.04 116.97 123.45 3itt h TYR 406 Ca 0.11 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.85 3itt h TYR 406 Cb 0.70 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 3itt h TYR 406 CO 0.05 0.20 -0.43 0.00 -1.64 0.00 0.00 178.16 176.34 3itt h ARG 407 N 0.47 0.76 -0.27 1.82 3.08 -1.05 -2.87 114.38 116.32 3itt h ARG 407 Ca 0.24 -0.41 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 3itt h ARG 407 Cb 0.19 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3itt h ARG 407 CO -0.19 1.04 -0.04 0.00 -1.07 0.00 0.00 179.97 179.70 3itt h ALA 408 N 0.90 1.43 0.00 0.04 0.00 -0.72 -2.39 119.26 118.52 3itt h ALA 408 Ca 0.04 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3itt h ALA 408 Cb 0.99 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3itt h ALA 408 CO 0.09 0.40 -0.22 0.66 0.00 0.00 0.00 179.25 180.19 3itt h SER 409 N 0.40 0.00 -0.63 0.00 4.64 -0.79 -3.46 113.55 113.70 3itt h SER 409 Ca 0.09 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.22 3itt h SER 409 Cb 0.33 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.37 3itt h SER 409 CO 0.01 0.22 -0.18 0.61 -0.87 0.00 0.00 176.83 176.62 3itt n GLY 410 N -0.43 0.81 0.17 -0.77 0.00 -0.90 -4.94 105.19 99.12 3itt n GLY 410 Ca -0.01 -0.60 -0.05 0.00 0.00 0.00 0.00 46.02 45.36 3itt n GLY 410 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3itt h TYR 411 N 0.00 0.03 -0.39 1.61 5.03 -1.85 -1.82 116.97 119.59 3itt h TYR 411 Ca -0.19 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.18 3itt h TYR 411 Cb 0.72 0.05 -0.04 0.00 1.55 0.00 0.00 36.73 39.01 3itt h TYR 411 CO 0.25 -0.05 0.17 -0.09 -1.32 0.00 0.00 178.16 177.12 3itt h ARG 412 N 0.14 0.34 -0.95 1.82 9.65 -1.92 -0.55 114.38 122.91 3itt h ARG 412 Ca 0.20 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 59.07 3itt h ARG 412 Cb 0.26 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.72 3itt h ARG 412 CO -0.30 0.23 0.63 0.00 2.80 0.00 0.00 179.97 183.33 3itt h ALA 413 N 1.22 1.34 0.82 2.80 0.00 -1.90 0.60 119.26 124.15 3itt h ALA 413 Ca 0.17 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3itt h ALA 413 Cb 0.11 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 17.53 3itt h ALA 413 CO -0.14 0.59 -0.39 -0.09 0.00 0.00 0.00 179.25 179.22 3itt h ARG 414 N 1.26 -1.06 0.00 0.00 2.43 -0.41 -2.36 114.38 114.24 3itt h ARG 414 Ca 0.36 0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.57 3itt h ARG 414 Cb -0.09 0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3itt h ARG 414 CO -0.09 -0.70 -0.17 -0.39 -1.51 0.00 0.00 179.97 177.11 3itt h VAL 415 N -1.14 0.79 -0.82 0.20 -1.51 -1.01 -2.01 116.25 110.75 3itt h VAL 415 Ca -0.11 -0.65 -0.01 0.00 -1.23 0.00 0.00 66.70 64.70 3itt h VAL 415 Cb 0.85 1.39 -0.04 0.00 -2.13 0.00 0.00 31.29 31.36 3itt h VAL 415 CO 0.19 0.16 0.49 0.00 -1.23 0.00 0.00 177.57 177.18 3itt h ALA 416 N 1.83 1.05 0.00 5.19 0.00 -0.64 -0.18 119.26 126.51 3itt h ALA 416 Ca -0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3itt h ALA 416 Cb 0.38 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3itt h ALA 416 CO 0.02 0.52 -0.34 0.00 0.00 0.00 0.00 179.25 179.46 3itt h ALA 417 N 1.26 0.90 0.00 0.00 0.00 -0.85 -3.20 119.26 117.38 3itt h ALA 417 Ca 0.29 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3itt h ALA 417 Cb -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3itt h ALA 417 CO -0.05 0.42 -0.62 0.93 0.00 0.00 0.00 179.25 179.94 3itt h GLU 418 N 0.00 0.00 -6.26 0.00 5.08 -0.86 -3.47 114.58 109.06 3itt h GLU 418 Ca -0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 3itt h GLU 418 Cb 0.99 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.12 3itt h GLU 418 CO 0.04 0.00 -0.70 1.03 -1.00 0.00 0.00 179.01 178.38 3itt s ARG 419 N -3.29 2.04 0.65 2.33 0.52 -0.15 -5.08 118.95 115.97 3itt s ARG 419 Ca 0.03 -1.50 -0.15 0.00 -0.52 0.00 0.00 55.73 53.59 3itt s ARG 419 Cb 0.08 -2.03 -0.00 0.00 0.52 0.00 0.00 34.95 33.52 3itt s ARG 419 CO 0.74 0.37 1.11 -1.25 0.02 0.00 0.00 175.30 176.29 3itt s PRO 420 N -3.44 2.84 0.60 3.54 0.04 -1.26 -4.81 135.00 132.51 3itt s PRO 420 Ca 0.29 1.41 -0.17 0.00 0.04 0.00 0.00 61.00 62.57 3itt s PRO 420 Cb -0.06 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 3itt s PRO 420 CO 0.17 -1.22 1.14 0.00 0.04 0.00 0.00 177.00 177.13 3itt s ALA 421 N -2.30 2.56 0.34 8.56 0.00 -1.26 -4.66 121.76 125.00 3itt s ALA 421 Ca 0.67 0.75 0.07 0.00 0.00 0.00 0.00 51.96 53.46 3itt s ALA 421 Cb -0.21 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 3itt s ALA 421 CO 0.40 -1.07 0.31 -1.12 0.00 0.00 0.00 175.76 174.28 3itt s SER 422 N -2.06 5.34 -0.07 0.00 0.01 -1.26 -5.09 113.70 110.58 3itt s SER 422 Ca 0.71 -0.47 0.03 0.00 1.31 0.00 0.00 55.95 57.53 3itt s SER 422 Cb -0.24 -0.99 0.01 0.00 0.21 0.00 0.00 66.02 65.01 3itt s SER 422 CO 0.34 -0.37 -0.15 0.54 0.41 0.00 0.00 173.24 174.02 3itt s VAL 423 N -2.30 1.32 0.27 3.43 0.11 -1.26 -5.04 120.40 116.94 3itt s VAL 423 Ca 0.41 -0.60 -0.29 0.00 -2.93 0.00 0.00 61.98 58.58 3itt s VAL 423 Cb -0.06 -1.19 -0.09 0.00 -1.53 0.00 0.00 36.38 33.51 3itt s VAL 423 CO 0.27 0.40 0.98 0.00 -3.33 0.00 0.00 175.10 173.42 3itt s ALA 424 N 0.55 3.32 0.00 1.54 0.00 -1.26 -4.82 121.76 121.09 3itt s ALA 424 Ca -0.14 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.49 3itt s ALA 424 Cb -0.16 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3itt s ALA 424 CO 0.05 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.32 3itt n GLY 425 N 1.23 4.13 0.58 0.00 0.00 -1.20 -5.04 105.19 104.90 3itt n GLY 425 Ca -0.01 -0.61 -0.05 0.00 0.00 0.00 0.00 46.02 45.35 3itt n GLY 425 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3itt n GLY 426 N 0.00 -3.11 2.32 -0.02 0.00 -1.26 -2.91 105.19 100.21 3itt n GLY 426 Ca 0.00 -1.35 -0.21 0.00 0.00 0.00 0.00 46.02 44.46 3itt n GLY 426 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3itt n GLY 427 N 0.14 -3.33 0.00 -0.02 0.00 -1.24 -2.63 105.19 98.11 3itt n GLY 427 Ca 0.03 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.68 3itt n GLY 427 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3itt n GLY 428 N -3.35 4.45 0.05 -0.02 0.00 -0.88 -4.79 105.19 100.66 3itt n GLY 428 Ca 0.10 -1.17 0.16 0.00 0.00 0.00 0.00 46.02 45.11 3itt n GLY 428 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71