#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 0.57 -5.08 -1.08 2.47 -1.92 -3.38 114.38 105.95 3itt h ARG 5 Ca 0.00 -0.03 -0.65 0.00 -1.26 0.00 0.00 59.98 58.03 3itt h ARG 5 Cb 0.00 -0.13 -0.27 0.00 -1.65 0.00 0.00 29.97 27.93 3itt h ARG 5 CO 0.00 0.38 -0.72 0.42 0.56 0.00 0.00 179.97 180.61 3itt s ILE 6 N -5.52 3.44 0.17 2.04 -1.09 -1.26 -5.03 121.20 113.94 3itt s ILE 6 Ca -0.09 -0.48 -0.33 0.00 -2.23 0.00 0.00 60.65 57.52 3itt s ILE 6 Cb 0.18 -2.54 -0.16 0.00 -1.58 0.00 0.00 42.46 38.36 3itt s ILE 6 CO 0.74 0.44 1.20 0.00 -1.23 0.00 0.00 174.94 176.09 3itt n ALA 7 N 4.45 -0.65 0.19 9.38 0.00 -1.26 -4.86 120.51 127.76 3itt n ALA 7 Ca -0.18 0.46 0.03 0.00 0.00 0.00 0.00 53.44 53.75 3itt n ALA 7 Cb 0.51 -2.05 0.38 0.00 0.00 0.00 0.00 19.45 18.29 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 3.56 0.01 0.00 0.00 4.20 -1.98 -2.48 115.11 118.42 3itt h GLN 8 Ca -0.44 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.21 3itt h GLN 8 Cb 1.34 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.11 3itt h GLN 8 CO 0.71 0.34 -0.26 0.38 -0.67 0.00 0.00 178.83 179.33 3itt h ASP 9 N 0.01 0.00 0.15 1.46 -0.00 -1.99 0.63 116.42 116.68 3itt h ASP 9 Ca -0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.03 56.75 3itt h ASP 9 Cb 0.59 0.00 0.02 0.00 -0.00 0.00 0.00 39.33 39.94 3itt h ASP 9 CO 0.04 0.26 -1.13 0.58 -0.00 0.00 0.00 179.24 179.00 3itt h VAL 10 N 0.00 1.31 -0.10 4.15 2.07 -1.82 -1.62 116.25 120.24 3itt h VAL 10 Ca -0.00 -2.42 -0.01 0.00 0.82 0.00 0.00 66.70 65.08 3itt h VAL 10 Cb 0.63 2.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.95 3itt h VAL 10 CO 0.03 0.74 0.01 0.58 0.02 0.00 0.00 177.57 178.95 3itt h VAL 11 N 0.30 1.23 -0.48 2.57 2.07 -1.19 0.60 116.25 121.36 3itt h VAL 11 Ca -0.15 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 3itt h VAL 11 Cb 1.79 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 33.06 3itt h VAL 11 CO 0.21 0.21 0.25 0.00 0.02 0.00 0.00 177.57 178.27 3itt h ALA 12 N 0.77 0.61 -0.32 1.67 0.00 -0.96 -0.98 119.26 120.05 3itt h ALA 12 Ca 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3itt h ALA 12 Cb 0.31 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3itt h ALA 12 CO 0.00 0.14 0.19 -0.09 0.00 0.00 0.00 179.25 179.50 3itt h ARG 13 N 0.63 0.44 0.00 0.00 2.43 -1.18 0.28 114.38 116.98 3itt h ARG 13 Ca 0.17 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3itt h ARG 13 Cb 0.07 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3itt h ARG 13 CO -0.03 0.34 -0.13 0.93 -1.51 0.00 0.00 179.97 179.57 3itt h GLU 14 N 0.42 0.00 0.09 0.20 4.39 -0.72 -2.21 114.58 116.75 3itt h GLU 14 Ca 0.12 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.70 3itt h GLU 14 Cb 0.01 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3itt h GLU 14 CO -0.02 0.13 -0.53 -0.91 -1.16 0.00 0.00 179.01 176.52 3itt h ASN 15 N 0.00 0.29 -0.74 1.42 2.35 -0.69 -3.25 115.58 114.96 3itt h ASN 15 Ca -0.00 -0.97 0.08 0.00 -0.55 0.00 0.00 56.30 54.87 3itt h ASN 15 Cb 0.61 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.84 3itt h ASN 15 CO 0.02 1.25 0.49 0.44 -1.65 0.00 0.00 177.43 177.98 3itt h ASP 16 N -0.61 0.63 0.22 5.81 3.32 -0.86 0.28 116.42 125.21 3itt h ASP 16 Ca -0.09 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 3itt h ASP 16 Cb 1.40 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.83 3itt h ASP 16 CO 0.09 0.39 -0.09 -0.09 -1.72 0.00 0.00 179.24 177.82 3itt h ARG 17 N 0.70 0.00 -0.02 3.56 2.43 -1.47 -2.89 114.38 116.69 3itt h ARG 17 Ca 0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 3itt h ARG 17 Cb 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3itt h ARG 17 CO -0.12 0.09 0.00 0.54 -1.51 0.00 0.00 179.97 178.98 3itt n ARG 18 N -3.83 0.06 -0.22 0.20 1.74 -0.18 -4.73 116.66 109.68 3itt n ARG 18 Ca -0.02 -0.90 -0.03 0.00 -0.77 0.00 0.00 57.85 56.12 3itt n ARG 18 Cb 0.19 -1.10 0.07 0.00 -1.02 0.00 0.00 32.46 30.61 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 0.97 0.85 0.02 7.54 0.00 -0.30 -2.21 119.26 126.13 3itt h ALA 19 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3itt h ALA 19 Cb 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3itt h ALA 19 CO 0.00 0.12 -0.07 1.03 0.00 0.00 0.00 179.25 180.32 3itt h SER 20 N 0.75 -0.21 -0.68 0.00 0.87 -1.85 -1.18 113.55 111.25 3itt h SER 20 Ca 0.27 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.80 3itt h SER 20 Cb 0.07 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 3itt h SER 20 CO -0.13 -0.11 0.20 0.00 -0.53 0.00 0.00 176.83 176.27 3itt h ALA 21 N 0.83 0.89 -0.28 6.23 0.00 -1.88 -2.66 119.26 122.39 3itt h ALA 21 Ca 0.02 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3itt h ALA 21 Cb 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3itt h ALA 21 CO -0.06 0.57 0.16 1.25 0.00 0.00 0.00 179.25 181.17 3itt h LEU 22 N 0.99 0.26 -0.65 0.00 5.85 -1.19 -0.64 115.31 119.93 3itt h LEU 22 Ca 0.22 0.00 0.07 0.00 0.84 0.00 0.00 57.88 59.01 3itt h LEU 22 Cb 0.31 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 3itt h LEU 22 CO -0.01 0.19 0.33 0.50 -0.34 0.00 0.00 178.44 179.12 3itt h LYS 23 N 0.34 0.59 -0.24 1.25 3.64 -1.06 0.46 116.57 121.54 3itt h LYS 23 Ca 0.11 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3itt h LYS 23 Cb 0.00 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 3itt h LYS 23 CO -0.06 0.39 0.06 0.93 -2.27 0.00 0.00 179.45 178.50 3itt h GLU 24 N 0.60 0.39 -0.48 1.90 4.39 -1.10 -1.52 114.58 118.76 3itt h GLU 24 Ca 0.31 -0.09 -0.11 0.00 0.34 0.00 0.00 59.36 59.80 3itt h GLU 24 Cb 0.26 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3itt h GLU 24 CO -0.22 0.50 -0.13 -0.44 -1.16 0.00 0.00 179.01 177.56 3itt h ASP 25 N 0.21 0.95 -0.13 1.42 3.32 -0.57 -1.08 116.42 120.55 3itt h ASP 25 Ca 0.08 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 3itt h ASP 25 Cb 0.28 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3itt h ASP 25 CO 0.00 1.09 0.02 0.22 -1.72 0.00 0.00 179.24 178.86 3itt h TYR 26 N 0.79 0.22 -0.77 4.55 5.03 -0.08 0.38 116.97 127.09 3itt h TYR 26 Ca 0.12 -0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.38 3itt h TYR 26 Cb 0.68 -0.06 -0.04 0.00 1.55 0.00 0.00 36.73 38.87 3itt h TYR 26 CO 0.05 0.38 0.38 0.93 -1.32 0.00 0.00 178.16 178.59 3itt h GLU 27 N -0.01 1.09 -0.13 1.82 5.08 -1.27 0.37 114.58 121.53 3itt h GLU 27 Ca 0.04 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3itt h GLU 27 Cb 0.28 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3itt h GLU 27 CO 0.00 0.83 0.04 0.00 -1.00 0.00 0.00 179.01 178.88 3itt h ALA 28 N 1.33 0.17 -0.52 3.43 0.00 -0.96 -1.67 119.26 121.04 3itt h ALA 28 Ca 0.27 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3itt h ALA 28 Cb 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3itt h ALA 28 CO -0.04 -0.22 0.03 1.25 0.00 0.00 0.00 179.25 180.28 3itt h LEU 29 N 0.02 0.82 -0.92 0.00 5.85 -0.56 -2.21 115.31 118.31 3itt h LEU 29 Ca 0.04 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.62 3itt h LEU 29 Cb 0.22 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 3itt h LEU 29 CO -0.00 0.86 0.59 1.23 -0.34 0.00 0.00 178.44 180.78 3itt h GLY 30 N 0.99 1.36 1.21 3.75 0.00 -0.01 -0.06 103.07 110.31 3itt h GLY 30 Ca 0.16 -0.44 -0.16 0.00 0.00 0.00 0.00 47.33 46.89 3itt h GLY 30 CO 0.02 0.35 -0.41 0.00 0.00 0.00 0.00 176.54 176.50 3itt h ALA 31 N 1.40 0.62 -0.20 3.60 0.00 -1.00 -1.37 119.26 122.31 3itt h ALA 31 Ca 0.38 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3itt h ALA 31 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3itt h ALA 31 CO -0.14 0.67 0.09 -0.97 0.00 0.00 0.00 179.25 178.90 3itt h ASN 32 N 0.69 0.27 -0.54 0.00 -0.73 -0.80 -1.54 115.58 112.94 3itt h ASN 32 Ca 0.05 -0.15 -0.05 0.00 1.87 0.00 0.00 56.30 58.02 3itt h ASN 32 Cb 0.99 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 39.48 3itt h ASN 32 CO 0.10 0.34 0.15 -0.07 -0.37 0.00 0.00 177.43 177.58 3itt h LEU 33 N 0.18 0.85 -0.97 0.34 3.38 -0.99 -2.16 115.31 115.93 3itt h LEU 33 Ca 0.07 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3itt h LEU 33 Cb 0.15 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 3itt h LEU 33 CO -0.01 0.82 0.58 0.00 0.09 0.00 0.00 178.44 179.93 3itt h ALA 34 N 1.29 1.23 0.00 1.53 0.00 -0.94 0.45 119.26 122.82 3itt h ALA 34 Ca 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3itt h ALA 34 Cb 0.30 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3itt h ALA 34 CO -0.00 0.66 -0.04 0.00 0.00 0.00 0.00 179.25 179.87 3itt h ARG 35 N 1.31 0.00 -0.65 0.00 3.08 -0.67 -0.98 114.38 116.47 3itt h ARG 35 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 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 -0.07 0.04 0.00 0.54 -1.07 0.00 0.00 179.97 179.42 3itt n ARG 36 N -3.23 2.93 -2.05 0.04 1.74 0.56 -4.92 116.66 111.74 3itt n ARG 36 Ca -0.01 -2.45 -0.11 0.00 -0.77 0.00 0.00 57.85 54.51 3itt n ARG 36 Cb 0.23 -1.65 -0.01 0.00 -1.02 0.00 0.00 32.46 30.01 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 1.34 0.15 3.17 -0.13 0.00 -0.37 -5.02 105.19 104.32 3itt n GLY 37 Ca 0.22 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.51 1.77 -0.50 1.61 1.01 0.13 -4.98 120.40 116.92 3itt s VAL 38 Ca 0.00 -0.86 -0.21 0.00 0.00 0.00 0.00 61.98 60.91 3itt s VAL 38 Cb 0.00 -1.53 0.05 0.00 0.00 0.00 0.00 36.38 34.89 3itt s VAL 38 CO 0.00 0.50 0.73 -0.62 0.00 0.00 0.00 175.10 175.71 3itt s ASP 39 N 0.31 6.28 0.33 3.32 2.15 -1.26 -2.52 116.67 125.29 3itt s ASP 39 Ca -0.14 -0.60 0.08 0.00 0.43 0.00 0.00 52.55 52.32 3itt s ASP 39 Cb -0.16 -2.34 0.80 0.00 -0.30 0.00 0.00 42.92 40.92 3itt s ASP 39 CO 0.06 -0.97 1.80 -0.29 -0.17 0.00 0.00 175.17 175.60 3itt h ILE 40 N 5.92 0.72 -0.50 4.11 2.10 -1.93 -0.60 117.51 127.34 3itt h ILE 40 Ca -0.27 -0.24 0.02 0.00 1.08 0.00 0.00 64.86 65.46 3itt h ILE 40 Cb 1.09 -0.04 -0.03 0.00 -1.09 0.00 0.00 36.82 36.75 3itt h ILE 40 CO 0.99 0.13 0.33 -0.08 -1.08 0.00 0.00 178.15 178.44 3itt h GLU 41 N 0.71 0.57 -0.01 2.19 4.57 -1.98 -1.28 114.58 119.35 3itt h GLU 41 Ca 0.54 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.60 3itt h GLU 41 Cb 0.92 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 3itt h GLU 41 CO -0.32 0.38 -0.41 0.00 -1.18 0.00 0.00 179.01 177.48 3itt h ALA 42 N 1.71 1.29 0.01 2.92 0.00 -1.52 -1.44 119.26 122.22 3itt h ALA 42 Ca 0.20 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3itt h ALA 42 Cb 0.06 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.78 3itt h ALA 42 CO -0.05 0.53 -0.23 0.28 0.00 0.00 0.00 179.25 179.78 3itt h VAL 43 N 0.03 1.58 -1.00 0.00 2.07 -1.22 -3.09 116.25 114.60 3itt h VAL 43 Ca -0.00 -2.01 0.03 0.00 0.82 0.00 0.00 66.70 65.53 3itt h VAL 43 Cb 0.74 2.87 -0.06 0.00 -1.52 0.00 0.00 31.29 33.33 3itt h VAL 43 CO 0.05 0.55 0.66 0.74 0.02 0.00 0.00 177.57 179.59 3itt h THR 44 N -0.57 1.21 -0.49 2.57 2.02 -1.28 0.95 112.91 117.31 3itt h THR 44 Ca -0.03 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 3itt h THR 44 Cb 1.02 -0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3itt h THR 44 CO 0.05 0.24 0.25 0.00 0.37 0.00 0.00 175.52 176.42 3itt h ALA 45 N 1.39 1.51 0.16 6.16 0.00 -1.34 0.08 119.26 127.23 3itt h ALA 45 Ca 0.39 -0.09 -0.31 0.00 0.00 0.00 0.00 54.91 54.89 3itt h ALA 45 Cb -0.06 -0.20 0.03 0.00 0.00 0.00 0.00 17.79 17.56 3itt h ALA 45 CO -0.11 0.40 -1.33 0.87 0.00 0.00 0.00 179.25 179.08 3itt h LYS 46 N 0.69 0.61 -0.84 0.00 1.57 -1.21 -3.28 116.57 114.10 3itt h LYS 46 Ca 0.17 -0.87 -0.03 0.00 -1.87 0.00 0.00 60.65 58.05 3itt h LYS 46 Cb 0.05 0.30 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 3itt h LYS 46 CO -0.03 1.41 0.41 0.28 -0.57 0.00 0.00 179.45 180.95 3itt h VAL 47 N 0.24 1.26 -0.06 0.50 2.07 -0.44 -1.75 116.25 118.07 3itt h VAL 47 Ca -0.21 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.62 3itt h VAL 47 Cb 2.00 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3itt h VAL 47 CO 0.25 0.31 0.06 -0.33 0.02 0.00 0.00 177.57 177.88 3itt h GLU 48 N 1.19 0.00 -0.20 1.57 5.08 -1.07 -1.81 114.58 119.34 3itt h GLU 48 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3itt h GLU 48 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3itt h GLU 48 CO -0.04 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.60 3itt n LYS 49 N -4.14 2.19 -3.17 2.33 5.02 -0.68 -4.90 118.16 114.81 3itt n LYS 49 Ca -0.01 -1.77 -0.40 0.00 -2.02 0.00 0.00 58.31 54.12 3itt n LYS 49 Cb 0.16 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.64 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 -1.76 3.41 0.08 2.13 5.36 -0.68 -5.06 117.98 121.46 3itt s PHE 50 Ca 0.34 0.91 0.07 0.00 -0.96 0.00 0.00 56.93 57.29 3itt s PHE 50 Cb 0.21 -2.74 -0.03 0.00 -0.34 0.00 0.00 43.02 40.12 3itt s PHE 50 CO 0.30 -0.09 -0.18 -0.06 -1.46 0.00 0.00 175.22 173.73 3itt s PHE 51 N 1.60 1.51 -0.03 10.12 0.08 -1.26 -4.74 117.98 125.26 3itt s PHE 51 Ca 0.28 -0.43 0.00 0.00 0.12 0.00 0.00 56.93 56.90 3itt s PHE 51 Cb -0.16 -0.84 0.03 0.00 -0.57 0.00 0.00 43.02 41.48 3itt s PHE 51 CO 0.11 0.13 0.01 0.54 -0.10 0.00 0.00 175.22 175.91 3itt s VAL 52 N -1.18 0.10 0.46 -0.44 0.11 -0.35 -4.75 120.40 114.35 3itt s VAL 52 Ca 0.03 0.14 -0.23 0.00 -2.93 0.00 0.00 61.98 58.99 3itt s VAL 52 Cb -0.10 -0.22 -0.07 0.00 -1.53 0.00 0.00 36.38 34.45 3itt s VAL 52 CO 0.03 0.14 1.15 0.00 -3.33 0.00 0.00 175.10 173.09 3itt s ALA 53 N 1.15 2.95 -0.01 1.54 0.00 -0.22 -4.26 121.76 122.92 3itt s ALA 53 Ca -0.08 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.78 3itt s ALA 53 Cb -0.13 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3itt s ALA 53 CO -0.02 -0.62 0.04 0.14 0.00 0.00 0.00 175.76 175.29 3itt s VAL 54 N -1.59 4.42 -0.03 0.00 -7.23 -0.69 -0.78 120.40 114.50 3itt s VAL 54 Ca 0.64 -0.50 -0.27 0.00 -1.81 0.00 0.00 61.98 60.04 3itt s VAL 54 Cb -0.27 -2.99 -0.03 0.00 0.56 0.00 0.00 36.38 33.64 3itt s VAL 54 CO 0.33 0.37 0.85 -2.16 -0.31 0.00 0.00 175.10 174.18 3itt s PRO 55 N -1.61 4.51 0.39 4.82 0.04 -1.24 -0.50 135.00 141.41 3itt s PRO 55 Ca 0.21 1.17 0.07 0.00 0.04 0.00 0.00 61.00 62.48 3itt s PRO 55 Cb -0.12 -3.45 0.82 0.00 0.04 0.00 0.00 34.50 31.80 3itt s PRO 55 CO 0.11 0.02 2.02 0.66 0.04 0.00 0.00 177.00 179.85 3itt h SER 56 N 6.71 0.54 0.21 6.66 4.64 -1.70 0.90 113.55 131.51 3itt h SER 56 Ca -0.41 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3itt h SER 56 Cb 1.21 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3itt h SER 56 CO 0.75 0.37 0.00 -2.67 -0.87 0.00 0.00 176.83 174.41 3itt n TRP 57 N -4.47 0.00 0.41 4.77 2.14 -1.26 -3.28 117.44 115.75 3itt n TRP 57 Ca 0.06 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.75 3itt n TRP 57 Cb 0.15 -0.11 0.11 0.00 -0.81 0.00 0.00 31.31 30.64 3itt n TRP 57 CO 0.00 0.00 0.00 0.78 2.07 0.00 0.00 177.69 180.54 3itt h GLY 58 N 4.72 0.00 0.87 -1.67 0.00 -1.07 -3.33 103.07 102.59 3itt h GLY 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3itt h GLY 58 CO 0.00 0.00 -0.07 3.33 0.00 0.00 0.00 176.54 179.80 3itt n VAL 59 N -2.32 0.00 -4.07 4.60 0.24 -1.20 -4.69 118.33 110.89 3itt n VAL 59 Ca 0.02 -0.06 -0.25 0.00 -2.04 0.00 0.00 64.34 62.01 3itt n VAL 59 Cb 0.48 -0.16 -0.05 0.00 -1.47 0.00 0.00 33.84 32.64 3itt n VAL 59 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3itt s GLY 60 N -2.36 1.66 0.30 7.63 0.00 -1.25 -4.70 107.32 108.60 3itt s GLY 60 Ca 0.33 -1.22 -0.29 0.00 0.00 0.00 0.00 44.72 43.53 3itt s GLY 60 CO 0.44 -1.24 1.25 -1.59 0.00 0.00 0.00 173.10 171.96 3itt s THR 61 N -1.81 2.97 0.10 0.90 2.01 -1.26 -4.61 115.64 113.94 3itt s THR 61 Ca 0.32 0.96 0.00 0.00 0.31 0.00 0.00 61.69 63.29 3itt s THR 61 Cb -0.10 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.82 3itt s THR 61 CO 0.24 0.22 0.14 0.61 -0.69 0.00 0.00 174.62 175.15 3itt n GLY 62 N 1.05 1.15 3.83 4.40 0.00 0.24 -4.93 105.19 110.93 3itt n GLY 62 Ca 0.00 -2.03 -0.07 0.00 0.00 0.00 0.00 46.02 43.92 3itt n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3itt s GLY 63 N -2.66 0.34 0.49 -0.02 0.00 -1.23 -4.39 107.32 99.85 3itt s GLY 63 Ca 0.10 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 44.14 3itt s GLY 63 CO 0.06 0.55 0.06 -1.30 0.00 0.00 0.00 173.10 172.47 3itt n THR 64 N -0.59 0.00 0.47 0.90 -2.24 0.14 -4.41 114.28 108.54 3itt n THR 64 Ca -0.07 -2.24 0.10 0.00 -2.27 0.00 0.00 64.05 59.56 3itt n THR 64 Cb 0.60 0.38 0.41 0.00 -2.10 0.00 0.00 70.33 69.62 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 -1.28 0.11 -0.02 -0.78 1.85 -1.26 -2.10 116.66 113.17 3itt n ARG 65 Ca -0.17 0.33 -0.12 0.00 -1.00 0.00 0.00 57.85 56.88 3itt n ARG 65 Cb 0.61 -1.69 -0.14 0.00 -1.05 0.00 0.00 32.46 30.18 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 -1.89 0.96 -3.66 2.89 3.72 -1.26 -3.39 117.46 114.82 3itt n PHE 66 Ca 0.03 0.30 0.01 0.00 -0.05 0.00 0.00 57.45 57.74 3itt n PHE 66 Cb 0.21 -1.16 -0.01 0.00 -0.94 0.00 0.00 39.48 37.59 3itt n PHE 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3itt s ALA 67 N -2.58 -2.12 -0.08 4.37 0.00 -1.13 -4.12 121.76 116.10 3itt s ALA 67 Ca -0.10 0.54 -0.03 0.00 0.00 0.00 0.00 51.96 52.37 3itt s ALA 67 Cb 0.08 0.44 0.04 0.00 0.00 0.00 0.00 23.12 23.68 3itt s ALA 67 CO 0.81 -1.06 0.16 0.50 0.00 0.00 0.00 175.76 176.17 3itt s ARG 68 N -2.57 0.08 -0.72 0.00 3.52 -1.04 -0.69 118.95 117.53 3itt s ARG 68 Ca 0.14 0.45 0.04 0.00 -0.13 0.00 0.00 55.73 56.24 3itt s ARG 68 Cb 0.03 -0.20 0.17 0.00 -1.56 0.00 0.00 34.95 33.39 3itt s ARG 68 CO -0.02 -0.22 0.52 -0.06 -0.81 0.00 0.00 175.30 174.71 3itt s PHE 69 N 1.58 3.61 0.60 5.12 0.40 -1.26 -2.86 117.98 125.17 3itt s PHE 69 Ca -0.05 -3.30 -0.19 0.00 -0.60 0.00 0.00 56.93 52.78 3itt s PHE 69 Cb -0.12 -2.78 -0.03 0.00 0.51 0.00 0.00 43.02 40.61 3itt s PHE 69 CO -0.06 -0.57 1.29 -1.25 0.70 0.00 0.00 175.22 175.33 3itt s PRO 70 N -1.42 2.83 0.00 0.24 0.04 -1.26 -4.95 135.00 130.49 3itt s PRO 70 Ca 0.25 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.35 3itt s PRO 70 Cb -0.05 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3itt s PRO 70 CO -0.16 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 175.92 3itt n GLY 71 N 0.76 1.04 3.89 0.56 0.00 -1.26 -4.93 105.19 105.26 3itt n GLY 71 Ca 0.14 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 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 1.34 4.88 -1.46 2.61 -4.23 -1.26 -4.28 115.64 113.25 3itt s THR 72 Ca 0.00 0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 60.75 3itt s THR 72 Cb 0.00 -3.77 0.05 0.00 1.34 0.00 0.00 72.50 70.12 3itt s THR 72 CO 0.00 -0.56 0.98 0.61 -0.54 0.00 0.00 174.62 175.11 3itt n GLY 73 N -1.48 -0.52 3.77 3.99 0.00 -1.26 -4.79 105.19 104.90 3itt n GLY 73 Ca 0.01 0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 -6.35 3.97 0.25 1.61 0.41 -1.26 -4.72 118.70 112.61 3itt s GLU 74 Ca 0.58 2.47 -0.30 0.00 -0.41 0.00 0.00 54.97 57.30 3itt s GLU 74 Cb -0.27 -2.86 -0.11 0.00 -1.78 0.00 0.00 34.13 29.12 3itt s GLU 74 CO 0.71 -0.61 1.53 -2.14 -0.49 0.00 0.00 175.26 174.26 3itt s PRO 75 N -2.21 4.20 -0.07 0.39 0.02 -1.26 -4.80 135.00 131.27 3itt s PRO 75 Ca 0.56 2.43 -0.26 0.00 0.02 0.00 0.00 61.00 63.74 3itt s PRO 75 Cb -0.45 -3.08 -0.22 0.00 0.02 0.00 0.00 34.50 30.78 3itt s PRO 75 CO 0.59 -0.54 1.03 0.00 -0.33 0.00 0.00 177.00 177.75 3itt h ARG 76 N 5.23 -0.03 0.00 5.54 3.08 -1.91 -3.48 114.38 122.82 3itt h ARG 76 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3itt h ARG 76 Cb 1.22 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3itt h ARG 76 CO 0.81 0.63 0.00 0.41 -1.07 0.00 0.00 179.97 180.75 3itt n GLY 77 N 0.78 3.93 0.35 0.04 0.00 -1.26 -5.00 105.19 104.03 3itt n GLY 77 Ca -0.09 -1.39 0.08 0.00 0.00 0.00 0.00 46.02 44.62 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 0.60 0.99 -0.48 -0.61 6.09 -1.93 -0.93 117.51 121.25 3itt h ILE 78 Ca 0.00 -0.22 -0.11 0.00 -1.37 0.00 0.00 64.86 63.16 3itt h ILE 78 Cb 0.00 0.29 -0.02 0.00 0.47 0.00 0.00 36.82 37.56 3itt h ILE 78 CO 0.00 0.12 -0.15 -0.26 -3.07 0.00 0.00 178.15 174.79 3itt h PHE 79 N 0.64 1.02 -0.55 2.19 0.04 -1.97 0.15 116.94 118.46 3itt h PHE 79 Ca 0.29 -0.21 -0.11 0.00 2.80 0.00 0.00 57.97 60.73 3itt h PHE 79 Cb 0.32 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 3itt h PHE 79 CO -0.00 0.99 -0.10 -0.44 -0.60 0.00 0.00 178.31 178.15 3itt h ASP 80 N 0.81 1.03 -0.43 2.17 5.19 -1.77 -2.42 116.42 121.00 3itt h ASP 80 Ca 0.12 -0.34 -0.01 0.00 -0.62 0.00 0.00 57.03 56.18 3itt h ASP 80 Cb 0.68 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.89 3itt h ASP 80 CO 0.05 1.14 0.22 0.11 -3.12 0.00 0.00 179.24 177.63 3itt h LYS 81 N 0.92 0.60 -0.96 3.56 1.57 -0.76 -2.20 116.57 119.30 3itt h LYS 81 Ca 0.14 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3itt h LYS 81 Cb 0.67 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 3itt h LYS 81 CO 0.05 0.51 0.59 -0.07 -0.57 0.00 0.00 179.45 179.96 3itt h LEU 82 N 0.55 1.14 -1.04 2.94 3.38 -0.60 -0.01 115.31 121.66 3itt h LEU 82 Ca 0.15 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.12 3itt h LEU 82 Cb 0.09 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 3itt h LEU 82 CO -0.02 0.86 0.64 0.44 0.09 0.00 0.00 178.44 180.44 3itt h ASP 83 N 1.31 1.02 0.20 -0.43 3.32 -1.00 -0.67 116.42 120.16 3itt h ASP 83 Ca 0.35 0.01 -0.20 0.00 0.02 0.00 0.00 57.03 57.20 3itt h ASP 83 Cb -0.08 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.25 3itt h ASP 83 CO -0.07 0.66 -0.77 0.44 -1.72 0.00 0.00 179.24 177.78 3itt h ASP 84 N 1.16 0.57 0.32 6.45 3.32 -0.69 -2.96 116.42 124.59 3itt h ASP 84 Ca 0.42 -0.39 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3itt h ASP 84 Cb 0.15 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3itt h ASP 84 CO -0.16 1.15 -0.19 0.00 -1.72 0.00 0.00 179.24 178.32 3itt h ALA 86 N 1.81 0.72 -0.26 0.00 0.00 -0.98 -1.67 119.26 118.87 3itt h ALA 86 Ca -0.00 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.75 3itt h ALA 86 Cb 0.40 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3itt h ALA 86 CO 0.02 0.38 0.05 0.28 0.00 0.00 0.00 179.25 179.99 3itt h VAL 87 N 0.76 0.88 -0.31 0.00 2.07 -1.31 0.20 116.25 118.53 3itt h VAL 87 Ca 0.18 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.69 3itt h VAL 87 Cb 0.29 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3itt h VAL 87 CO -0.00 0.03 0.08 0.40 0.02 0.00 0.00 177.57 178.10 3itt h ILE 88 N 0.15 0.88 -0.46 4.57 2.04 -1.24 -1.89 117.51 121.55 3itt h ILE 88 Ca 0.12 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.84 3itt h ILE 88 Cb 0.12 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3itt h ILE 88 CO -0.16 0.04 0.03 -0.61 0.00 0.00 0.00 178.15 177.45 3itt h GLN 89 N 0.21 0.79 -0.78 2.37 5.75 -0.89 -1.62 115.11 120.94 3itt h GLN 89 Ca 0.14 -0.24 -0.00 0.00 -0.15 0.00 0.00 58.65 58.40 3itt h GLN 89 Cb 0.14 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.57 3itt h GLN 89 CO -0.17 0.83 0.47 0.37 -2.65 0.00 0.00 178.83 177.68 3itt h GLN 90 N 0.65 1.06 0.05 1.69 4.15 -0.33 0.62 115.11 123.00 3itt h GLN 90 Ca 0.13 -0.10 -0.26 0.00 0.77 0.00 0.00 58.65 59.20 3itt h GLN 90 Cb 0.45 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 3itt h GLN 90 CO 0.02 0.75 -1.27 -0.07 -1.93 0.00 0.00 178.83 176.32 3itt h LEU 91 N 1.07 0.18 0.00 -2.39 3.38 -1.32 -3.35 115.31 112.87 3itt h LEU 91 Ca 0.28 -0.22 -0.20 0.00 0.09 0.00 0.00 57.88 57.84 3itt h LEU 91 Cb -0.04 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3itt h LEU 91 CO -0.05 1.18 -2.09 0.35 0.09 0.00 0.00 178.44 177.91 3itt n THR 92 N -3.37 0.73 -1.64 0.22 -2.24 -0.62 -1.37 114.28 106.00 3itt n THR 92 Ca -0.08 -0.63 -0.19 0.00 -2.27 0.00 0.00 64.05 60.87 3itt n THR 92 Cb 1.00 -0.29 -0.08 0.00 -2.10 0.00 0.00 70.33 68.86 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 -2.47 -1.46 -0.00 -0.78 5.12 0.22 -4.77 116.66 112.52 3itt n ARG 93 Ca -0.19 1.12 0.02 0.00 -1.93 0.00 0.00 57.85 56.87 3itt n ARG 93 Cb 0.85 -5.51 0.02 0.00 -1.16 0.00 0.00 32.46 26.67 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 0.90 2.46 -3.13 7.54 0.00 -1.26 -4.80 120.51 122.22 3itt n ALA 94 Ca -0.20 -0.57 -0.23 0.00 0.00 0.00 0.00 53.44 52.45 3itt n ALA 94 Cb 0.64 -0.14 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 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 0.20 1.04 0.26 0.00 -2.24 -1.26 -1.21 114.28 111.08 3itt n THR 95 Ca 0.03 -4.89 0.15 0.00 -2.27 0.00 0.00 64.05 57.06 3itt n THR 95 Cb 0.12 -1.02 0.63 0.00 -2.10 0.00 0.00 70.33 67.95 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 3.23 0.00 -6.38 -0.78 0.13 -1.87 -3.39 132.00 122.94 3itt h PRO 96 Ca 0.11 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.56 3itt h PRO 96 Cb 0.78 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.69 3itt h PRO 96 CO 0.63 0.08 -0.76 -0.80 -0.23 0.00 0.00 178.00 176.92 3itt s ASN 97 N -5.88 4.11 0.04 1.44 0.01 -1.26 0.47 114.94 113.88 3itt s ASN 97 Ca 0.01 -0.24 0.06 0.00 -0.71 0.00 0.00 52.86 51.98 3itt s ASN 97 Cb 0.10 -0.84 -0.03 0.00 0.41 0.00 0.00 41.25 40.88 3itt s ASN 97 CO 0.57 0.31 -0.13 -0.69 -1.51 0.00 0.00 177.10 175.65 3itt s VAL 98 N -0.84 3.17 -0.22 1.60 1.01 -0.45 -1.71 120.40 122.96 3itt s VAL 98 Ca 0.13 -1.08 -0.08 0.00 0.00 0.00 0.00 61.98 60.95 3itt s VAL 98 Cb -0.11 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 3itt s VAL 98 CO 0.03 0.31 0.09 -0.55 0.00 0.00 0.00 175.10 174.97 3itt s SER 99 N -1.60 5.53 0.18 3.32 0.15 0.34 -0.12 113.70 121.51 3itt s SER 99 Ca 0.17 -0.03 -0.06 0.00 0.70 0.00 0.00 55.95 56.72 3itt s SER 99 Cb -0.11 -1.98 -0.06 0.00 -1.71 0.00 0.00 66.02 62.17 3itt s SER 99 CO 0.08 0.07 0.45 -0.76 1.20 0.00 0.00 173.24 174.27 3itt s LEU 100 N 1.02 4.22 -0.12 3.45 1.02 -1.25 -1.69 118.68 125.32 3itt s LEU 100 Ca 0.05 0.71 0.02 0.00 0.02 0.00 0.00 54.13 54.92 3itt s LEU 100 Cb -0.14 -3.45 0.01 0.00 0.02 0.00 0.00 46.19 42.63 3itt s LEU 100 CO 0.03 -0.01 -0.17 -2.28 0.02 0.00 0.00 176.35 173.94 3itt s HIS 101 N -1.75 2.19 -0.04 0.29 2.46 -1.26 -1.09 115.29 116.09 3itt s HIS 101 Ca 0.43 -1.06 0.00 0.00 0.47 0.00 0.00 55.06 54.91 3itt s HIS 101 Cb -0.12 -1.54 -0.03 0.00 -0.13 0.00 0.00 32.58 30.75 3itt s HIS 101 CO 0.24 -0.52 0.00 0.42 -2.47 0.00 0.00 174.74 172.41 3itt s ILE 102 N 0.94 4.24 -2.08 0.89 -1.09 -0.16 0.74 121.20 124.68 3itt s ILE 102 Ca -0.07 -0.44 0.22 0.00 -2.23 0.00 0.00 60.65 58.13 3itt s ILE 102 Cb -0.15 -2.85 0.59 0.00 -1.58 0.00 0.00 42.46 38.48 3itt s ILE 102 CO -0.02 0.47 1.79 -0.81 -1.23 0.00 0.00 174.94 175.15 3itt n PRO 103 N 1.71 1.17 -0.10 2.79 -0.04 -1.26 -2.53 135.00 136.74 3itt n PRO 103 Ca -0.16 -0.25 -0.06 0.00 -0.04 0.00 0.00 63.50 62.99 3itt n PRO 103 Cb 0.53 -1.36 0.01 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.53 0.07 -0.49 0.54 6.55 -1.87 -2.39 115.95 118.87 3itt h TRP 104 Ca 0.00 0.02 -0.10 0.00 0.95 0.00 0.00 58.89 59.77 3itt h TRP 104 Cb 0.11 0.02 -0.06 0.00 -0.86 0.00 0.00 29.16 28.38 3itt h TRP 104 CO 0.02 -0.01 0.12 -0.25 -1.05 0.00 0.00 178.44 177.27 3itt n ASP 105 N -5.12 4.21 -4.70 -3.49 8.00 0.23 -4.75 116.55 110.93 3itt n ASP 105 Ca 0.01 -2.80 -0.42 0.00 0.71 0.00 0.00 54.79 52.29 3itt n ASP 105 Cb 0.16 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.57 3itt n ASP 105 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3itt s LYS 106 N -2.30 4.17 0.14 -1.24 2.47 -0.90 -4.94 119.74 117.14 3itt s LYS 106 Ca 0.40 2.47 -0.25 0.00 -1.56 0.00 0.00 55.97 57.03 3itt s LYS 106 Cb 0.31 -3.51 0.07 0.00 -1.46 0.00 0.00 37.83 33.24 3itt s LYS 106 CO 0.11 -0.77 0.98 0.00 0.16 0.00 0.00 175.35 175.83 3itt s ALA 107 N 2.42 -1.69 -0.21 3.13 0.00 -1.26 -5.01 121.76 119.14 3itt s ALA 107 Ca 0.77 0.14 -0.28 0.00 0.00 0.00 0.00 51.96 52.58 3itt s ALA 107 Cb -0.44 0.63 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 3itt s ALA 107 CO 0.34 -1.05 2.21 -3.47 0.00 0.00 0.00 175.76 173.80 3itt n ASP 108 N -0.49 3.27 0.18 0.00 2.03 -1.26 -4.81 116.55 115.47 3itt n ASP 108 Ca -0.06 0.24 0.16 0.00 0.52 0.00 0.00 54.79 55.65 3itt n ASP 108 Cb 0.61 -1.55 0.58 0.00 -0.72 0.00 0.00 41.12 40.04 3itt n ASP 108 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3itt h PRO 109 N 14.81 0.00 0.13 -0.67 0.11 -1.93 0.36 132.00 144.81 3itt h PRO 109 Ca -0.41 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.41 3itt h PRO 109 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3itt h PRO 109 CO 0.96 0.00 -1.34 0.87 -0.21 0.00 0.00 178.00 178.29 3itt h LYS 110 N 0.00 0.28 0.05 1.05 1.57 -1.87 -2.72 116.57 114.93 3itt h LYS 110 Ca 0.13 -0.48 -0.23 0.00 -1.87 0.00 0.00 60.65 58.20 3itt h LYS 110 Cb 1.39 0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.88 3itt h LYS 110 CO -0.00 1.20 -1.03 0.93 -0.57 0.00 0.00 179.45 179.98 3itt h GLU 111 N 0.08 0.28 0.42 3.15 5.08 -0.73 -1.66 114.58 121.20 3itt h GLU 111 Ca -0.17 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 57.80 3itt h GLU 111 Cb 2.00 0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.37 3itt h GLU 111 CO 0.20 1.10 -0.20 -0.07 -1.00 0.00 0.00 179.01 179.03 3itt h LEU 112 N 0.13 -0.48 -1.49 1.33 3.38 -1.22 -0.09 115.31 116.88 3itt h LEU 112 Ca -0.09 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.84 3itt h LEU 112 Cb 1.71 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.55 3itt h LEU 112 CO 0.17 -0.24 0.36 0.50 0.09 0.00 0.00 178.44 179.31 3itt h LYS 113 N -0.71 0.68 0.06 1.13 1.63 -1.56 -0.74 116.57 117.07 3itt h LYS 113 Ca -0.06 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.70 3itt h LYS 113 Cb 0.51 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 3itt h LYS 113 CO 0.10 0.45 -0.03 0.00 -3.45 0.00 0.00 179.45 176.51 3itt h ALA 114 N 1.67 -0.09 -0.28 5.00 0.00 -0.93 -1.94 119.26 122.69 3itt h ALA 114 Ca 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3itt h ALA 114 Cb -0.04 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3itt h ALA 114 CO -0.05 -0.47 0.06 -0.09 0.00 0.00 0.00 179.25 178.70 3itt h ARG 115 N -0.24 0.46 0.02 0.00 9.65 -0.66 -1.82 114.38 121.80 3itt h ARG 115 Ca -0.01 -0.12 0.03 0.00 -1.10 0.00 0.00 59.98 58.78 3itt h ARG 115 Cb 0.21 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.68 3itt h ARG 115 CO 0.01 0.56 -0.44 0.78 2.80 0.00 0.00 179.97 183.68 3itt h GLY 116 N 0.29 -0.86 0.47 2.80 0.00 -1.10 0.51 103.07 105.17 3itt h GLY 116 Ca 0.09 0.54 0.09 0.00 0.00 0.00 0.00 47.33 48.05 3itt h GLY 116 CO 0.00 -0.25 0.29 -0.55 0.00 0.00 0.00 176.54 176.04 3itt h ASP 117 N -0.61 0.36 -0.78 0.19 3.32 -1.33 0.65 116.42 118.21 3itt h ASP 117 Ca 0.04 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 3itt h ASP 117 Cb 0.68 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 3itt h ASP 117 CO -0.31 0.21 0.48 0.00 -1.72 0.00 0.00 179.24 177.90 3itt h ALA 118 N 1.41 1.00 -0.00 3.45 0.00 -0.41 -2.22 119.26 122.49 3itt h ALA 118 Ca 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3itt h ALA 118 Cb 0.34 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3itt h ALA 118 CO -0.27 0.45 -0.19 1.28 0.00 0.00 0.00 179.25 180.52 3itt n LEU 119 N -4.49 0.29 -0.61 0.00 4.77 0.17 -4.93 117.00 112.19 3itt n LEU 119 Ca 0.08 0.20 -0.02 0.00 -0.03 0.00 0.00 56.01 56.24 3itt n LEU 119 Cb 0.05 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3itt n LEU 119 CO 0.37 0.06 0.01 0.61 -1.33 0.00 0.00 177.39 177.11 3itt n GLY 120 N 1.44 0.64 3.29 -0.72 0.00 0.19 -4.91 105.19 105.12 3itt n GLY 120 Ca 0.08 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.28 2.11 0.00 0.99 1.43 0.86 -4.90 118.68 117.90 3itt s LEU 121 Ca 0.04 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 52.70 3itt s LEU 121 Cb -0.02 -1.19 0.06 0.00 0.03 0.00 0.00 46.19 45.07 3itt s LEU 121 CO 0.05 0.25 0.50 0.61 0.23 0.00 0.00 176.35 177.99 3itt n GLY 122 N 2.12 2.39 3.16 -3.19 0.00 0.18 -3.86 105.19 105.98 3itt n GLY 122 Ca -0.16 -2.25 -0.29 0.00 0.00 0.00 0.00 46.02 43.32 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 -2.14 2.08 0.00 1.61 0.40 -1.26 -1.34 117.98 117.32 3itt s PHE 123 Ca 0.38 -0.75 0.00 0.00 -0.60 0.00 0.00 56.93 55.96 3itt s PHE 123 Cb -0.03 -1.41 0.00 0.00 0.51 0.00 0.00 43.02 42.09 3itt s PHE 123 CO 0.24 -0.30 0.00 -3.47 0.70 0.00 0.00 175.22 172.39 3itt n ASP 124 N 3.44 0.00 -4.57 1.36 -0.08 0.83 -4.34 116.55 113.19 3itt n ASP 124 Ca -0.20 -0.53 -0.43 0.00 -1.51 0.00 0.00 54.79 52.13 3itt n ASP 124 Cb 0.52 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.98 3itt n ASP 124 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3itt n ALA 125 N -3.00 -0.30 -1.79 -1.67 0.00 -1.26 -4.60 120.51 107.89 3itt n ALA 125 Ca 0.00 0.28 -0.32 0.00 0.00 0.00 0.00 53.44 53.41 3itt n ALA 125 Cb 0.00 -2.00 -0.00 0.00 0.00 0.00 0.00 19.45 17.45 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 -1.75 3.62 -0.16 0.00 -1.94 0.18 -3.91 119.30 115.33 3itt s MET 126 Ca 0.61 0.92 -0.00 0.00 -1.71 0.00 0.00 55.69 55.51 3itt s MET 126 Cb -0.63 -2.08 0.04 0.00 2.01 0.00 0.00 34.83 34.17 3itt s MET 126 CO 0.58 -0.55 -0.07 -0.80 -0.01 0.00 0.00 175.02 174.17 3itt s ASN 127 N -3.49 2.80 0.54 3.03 0.01 -0.25 -0.44 114.94 117.13 3itt s ASN 127 Ca 0.58 -0.62 -0.10 0.00 -0.71 0.00 0.00 52.86 52.01 3itt s ASN 127 Cb -0.12 -0.97 -0.05 0.00 0.41 0.00 0.00 41.25 40.52 3itt s ASN 127 CO 0.43 -0.16 0.93 -0.94 -1.51 0.00 0.00 177.10 175.85 3itt s SER 128 N 1.60 6.34 -0.32 -1.22 1.04 -1.20 -0.98 113.70 118.96 3itt s SER 128 Ca 0.02 1.28 -0.01 0.00 0.48 0.00 0.00 55.95 57.72 3itt s SER 128 Cb -0.15 -2.40 0.10 0.00 0.10 0.00 0.00 66.02 63.68 3itt s SER 128 CO -0.08 -0.69 0.11 0.21 0.98 0.00 0.00 173.24 173.77 3itt s ASN 129 N -3.85 3.98 -0.18 7.02 3.84 -1.05 -4.67 114.94 120.04 3itt s ASN 129 Ca 0.53 -1.71 0.15 0.00 0.21 0.00 0.00 52.86 52.04 3itt s ASN 129 Cb -0.11 -0.86 0.44 0.00 -0.55 0.00 0.00 41.25 40.17 3itt s ASN 129 CO 0.45 -0.40 1.19 0.35 -2.79 0.00 0.00 177.10 175.90 3itt n THR 130 N 4.75 1.64 -0.15 -5.21 -2.24 -1.26 -4.65 114.28 107.17 3itt n THR 130 Ca -0.01 -2.85 0.04 0.00 -2.27 0.00 0.00 64.05 58.96 3itt n THR 130 Cb 0.41 0.04 0.11 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.60 0.33 -3.51 4.78 1.16 -1.26 -4.62 117.46 113.74 3itt n PHE 131 Ca 0.19 -0.51 -0.14 0.00 -1.87 0.00 0.00 57.45 55.12 3itt n PHE 131 Cb 0.86 -0.04 -0.04 0.00 -1.61 0.00 0.00 39.48 38.65 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 -1.03 -0.52 -0.00 5.98 1.04 -1.26 -4.93 113.70 112.97 3itt s SER 132 Ca 0.17 0.20 -0.10 0.00 0.48 0.00 0.00 55.95 56.70 3itt s SER 132 Cb 0.09 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.70 3itt s SER 132 CO 0.11 -0.79 0.31 -1.81 0.98 0.00 0.00 173.24 172.04 3itt s ASP 133 N -2.12 6.59 0.24 7.02 1.01 -1.26 -4.86 116.67 123.29 3itt s ASP 133 Ca -0.04 0.70 0.08 0.00 0.71 0.00 0.00 52.55 54.01 3itt s ASP 133 Cb -0.00 -2.15 -0.04 0.00 1.01 0.00 0.00 42.92 41.74 3itt s ASP 133 CO -0.04 0.28 0.07 0.00 0.21 0.00 0.00 175.17 175.70 3itt s ALA 134 N -1.21 3.34 0.49 5.23 0.00 -1.26 -5.07 121.76 123.28 3itt s ALA 134 Ca 0.25 -1.49 -0.23 0.00 0.00 0.00 0.00 51.96 50.49 3itt s ALA 134 Cb -0.14 -1.03 -0.07 0.00 0.00 0.00 0.00 23.12 21.88 3itt s ALA 134 CO 0.14 0.32 1.25 -2.30 0.00 0.00 0.00 175.76 175.16 3itt n PRO 135 N -0.80 1.68 -0.13 0.00 -0.02 -1.26 -2.11 135.00 132.36 3itt n PRO 135 Ca -0.08 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3itt n PRO 135 Cb 0.58 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 0.87 1.95 3.67 -1.23 0.00 -1.26 -4.96 105.19 104.23 3itt n GLY 136 Ca 0.09 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.65 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 2.13 -0.14 1.61 7.27 -0.90 -4.91 117.38 120.44 3itt n GLN 137 Ca 0.00 0.77 -0.11 0.00 0.07 0.00 0.00 57.00 57.73 3itt n GLN 137 Cb 0.00 -2.54 0.01 0.00 2.41 0.00 0.00 30.24 30.11 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 6.34 0.69 -4.04 1.69 0.00 -1.93 -3.44 119.26 118.57 3itt h ALA 138 Ca -0.45 -0.40 -0.56 0.00 0.00 0.00 0.00 54.91 53.49 3itt h ALA 138 Cb 1.26 -0.16 -0.31 0.00 0.00 0.00 0.00 17.79 18.59 3itt h ALA 138 CO 0.89 0.67 -0.84 -1.01 0.00 0.00 0.00 179.25 178.97 3itt s HIS 139 N -4.61 1.67 0.32 0.00 3.76 -1.26 -5.13 115.29 110.03 3itt s HIS 139 Ca -0.11 -0.43 -0.25 0.00 -0.15 0.00 0.00 55.06 54.12 3itt s HIS 139 Cb 0.12 -1.11 -0.10 0.00 1.11 0.00 0.00 32.58 32.60 3itt s HIS 139 CO 0.87 -0.12 0.92 0.45 -0.85 0.00 0.00 174.74 176.00 3itt s SER 140 N -0.11 7.28 -0.14 1.40 0.15 -1.26 -4.96 113.70 116.07 3itt s SER 140 Ca -0.00 1.77 0.15 0.00 0.70 0.00 0.00 55.95 58.57 3itt s SER 140 Cb -0.10 -2.56 0.68 0.00 -1.71 0.00 0.00 66.02 62.33 3itt s SER 140 CO 0.01 -0.07 1.56 -1.22 1.20 0.00 0.00 173.24 174.73 3itt n TYR 141 N 0.52 1.51 -0.30 3.44 4.01 -1.26 -4.52 117.16 120.55 3itt n TYR 141 Ca 0.02 -0.57 0.07 0.00 -0.16 0.00 0.00 57.90 57.26 3itt n TYR 141 Cb 0.50 -0.30 0.23 0.00 -0.31 0.00 0.00 39.34 39.46 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 3.65 0.66 -0.46 -0.72 3.64 -1.94 -1.38 116.57 120.02 3itt h LYS 142 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3itt h LYS 142 Cb 1.49 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 3itt h LYS 142 CO 0.28 0.43 0.00 0.66 -2.27 0.00 0.00 179.45 178.56 3itt n TYR 143 N -4.83 1.59 0.00 1.91 4.01 -1.26 -5.05 117.16 113.52 3itt n TYR 143 Ca 0.17 -0.77 0.00 0.00 -0.16 0.00 0.00 57.90 57.14 3itt n TYR 143 Cb 0.42 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 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 0.24 1.36 0.00 2.72 0.00 -0.52 -4.67 105.19 104.32 3itt n GLY 144 Ca 0.25 -2.14 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 0.29 1.61 3.41 -1.26 -4.23 113.62 113.44 3itt n SER 145 Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.77 3itt n SER 145 Cb 0.00 0.00 0.91 0.00 -0.26 0.00 0.00 64.21 64.86 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 -2.53 1.04 3.38 -1.86 -2.30 115.31 113.03 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 0.04 0.00 -1.54 0.09 0.00 0.00 178.44 177.03 3itt n SER 147 N -3.54 2.60 -4.65 -0.43 3.41 -1.26 -3.93 113.62 105.82 3itt n SER 147 Ca -0.02 -1.86 -0.39 0.00 -0.26 0.00 0.00 58.87 56.34 3itt n SER 147 Cb 0.15 -0.16 0.04 0.00 -0.26 0.00 0.00 64.21 63.97 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 0.46 1.37 0.21 7.33 -0.00 -0.87 -4.79 115.22 118.94 3itt n HIS 148 Ca 0.09 0.47 0.07 0.00 -0.00 0.00 0.00 57.72 58.35 3itt n HIS 148 Cb 0.37 -2.23 0.47 0.00 -0.00 0.00 0.00 29.99 28.60 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 1.10 0.95 -3.15 3.57 1.35 -1.91 -3.43 112.91 111.39 3itt h THR 149 Ca -0.48 -1.06 -0.58 0.00 -0.55 0.00 0.00 66.41 63.74 3itt h THR 149 Cb 1.34 1.62 -0.07 0.00 -1.73 0.00 0.00 68.15 69.31 3itt h THR 149 CO 0.54 0.28 0.74 0.21 -0.25 0.00 0.00 175.52 177.04 3itt s ASN 150 N -6.58 7.02 0.24 5.36 2.47 -1.26 -4.95 114.94 117.23 3itt s ASN 150 Ca -0.02 1.26 -0.05 0.00 0.42 0.00 0.00 52.86 54.46 3itt s ASN 150 Cb 0.13 -2.52 0.35 0.00 -1.45 0.00 0.00 41.25 37.77 3itt s ASN 150 CO 0.67 -0.67 1.82 0.00 -3.72 0.00 0.00 177.10 175.20 3itt h ALA 151 N 7.59 1.12 -0.40 1.71 0.00 -1.99 -1.61 119.26 125.68 3itt h ALA 151 Ca -0.20 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3itt h ALA 151 Cb 1.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3itt h ALA 151 CO 0.97 0.13 0.19 0.00 0.00 0.00 0.00 179.25 180.53 3itt h ALA 152 N 1.42 1.59 -0.39 0.00 0.00 -1.96 -0.62 119.26 119.30 3itt h ALA 152 Ca 0.37 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 55.04 3itt h ALA 152 Cb 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3itt h ALA 152 CO -0.22 0.33 -0.37 1.15 0.00 0.00 0.00 179.25 180.14 3itt h THR 153 N 0.55 1.27 -0.64 0.00 2.02 -1.67 -1.47 112.91 112.97 3itt h THR 153 Ca 0.14 -1.55 -0.09 0.00 0.77 0.00 0.00 66.41 65.68 3itt h THR 153 Cb 0.07 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 3itt h THR 153 CO -0.02 0.52 0.04 0.03 0.37 0.00 0.00 175.52 176.46 3itt h ARG 154 N 0.75 1.10 -0.78 6.66 3.08 -0.85 -1.95 114.38 122.39 3itt h ARG 154 Ca 0.06 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.76 3itt h ARG 154 Cb 0.97 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.87 3itt h ARG 154 CO 0.09 1.04 0.40 0.00 -1.07 0.00 0.00 179.97 180.43 3itt h ALA 155 N 1.01 1.00 -0.40 0.04 0.00 -1.01 0.09 119.26 119.99 3itt h ALA 155 Ca 0.19 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3itt h ALA 155 Cb 0.52 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3itt h ALA 155 CO 0.02 0.54 -0.10 0.37 0.00 0.00 0.00 179.25 180.08 3itt h GLN 156 N 1.09 0.70 -0.40 0.00 4.15 -1.06 -1.02 115.11 118.57 3itt h GLN 156 Ca 0.27 -0.22 -0.10 0.00 0.77 0.00 0.00 58.65 59.38 3itt h GLN 156 Cb 0.08 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 3itt h GLN 156 CO -0.04 0.78 -0.13 0.00 -1.93 0.00 0.00 178.83 177.51 3itt h ALA 157 N 1.25 0.55 -0.24 3.38 0.00 -0.71 -2.11 119.26 121.38 3itt h ALA 157 Ca 0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3itt h ALA 157 Cb 0.54 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3itt h ALA 157 CO 0.03 0.45 0.09 0.28 0.00 0.00 0.00 179.25 180.10 3itt h VAL 158 N 0.60 1.18 -0.90 0.00 2.07 -0.76 -2.45 116.25 115.99 3itt h VAL 158 Ca 0.10 -0.57 0.04 0.00 0.82 0.00 0.00 66.70 67.09 3itt h VAL 158 Cb 0.66 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 3itt h VAL 158 CO 0.05 0.19 0.59 -0.08 0.02 0.00 0.00 177.57 178.34 3itt h GLU 159 N 0.23 1.09 -0.37 1.57 4.57 -1.11 -1.36 114.58 119.19 3itt h GLU 159 Ca 0.08 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 3itt h GLU 159 Cb 0.21 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 3itt h GLU 159 CO -0.00 0.72 0.15 1.25 -1.18 0.00 0.00 179.01 179.95 3itt h HIS 160 N 1.12 0.56 -0.37 0.92 2.76 -1.16 -0.72 115.15 118.27 3itt h HIS 160 Ca 0.36 -0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.47 3itt h HIS 160 Cb 0.04 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.81 3itt h HIS 160 CO -0.00 0.50 0.11 -0.91 -1.30 0.00 0.00 177.93 176.33 3itt h ASN 161 N 0.46 0.48 0.24 3.26 2.35 -0.95 -1.14 115.58 120.28 3itt h ASN 161 Ca 0.12 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.70 3itt h ASN 161 Cb 0.17 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3itt h ASN 161 CO -0.01 0.47 -0.47 -0.07 -1.65 0.00 0.00 177.43 175.70 3itt h LEU 162 N 0.52 0.29 -0.65 1.61 3.38 -0.76 -2.28 115.31 117.43 3itt h LEU 162 Ca 0.13 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 3itt h LEU 162 Cb 0.16 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3itt h LEU 162 CO -0.01 0.72 -0.19 -0.08 0.09 0.00 0.00 178.44 178.97 3itt h GLU 163 N 0.22 0.86 -0.90 1.13 4.81 -0.13 -2.11 114.58 118.46 3itt h GLU 163 Ca 0.01 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3itt h GLU 163 Cb 0.91 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.21 3itt h GLU 163 CO 0.07 0.97 0.55 0.00 -0.73 0.00 0.00 179.01 179.88 3itt h ILE 165 N 1.24 1.21 -0.49 0.00 2.04 -1.11 -0.67 117.51 119.73 3itt h ILE 165 Ca 0.32 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.55 3itt h ILE 165 Cb -0.07 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 3itt h ILE 165 CO -0.06 0.25 0.31 -0.33 0.00 0.00 0.00 178.15 178.32 3itt h GLU 166 N 0.71 0.61 -0.41 2.37 4.39 -0.69 -0.10 114.58 121.46 3itt h GLU 166 Ca 0.18 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 3itt h GLU 166 Cb 0.18 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3itt h GLU 166 CO -0.02 0.41 0.18 0.82 -1.16 0.00 0.00 179.01 179.24 3itt h ILE 167 N 0.63 1.19 -0.06 3.13 2.04 -0.97 -2.66 117.51 120.81 3itt h ILE 167 Ca 0.19 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 3itt h ILE 167 Cb -0.04 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3itt h ILE 167 CO -0.06 0.21 -0.11 1.23 0.00 0.00 0.00 178.15 179.41 3itt h GLY 168 N 0.52 0.10 1.80 5.37 0.00 -0.72 -1.88 103.07 108.26 3itt h GLY 168 Ca 0.14 -0.05 -0.12 0.00 0.00 0.00 0.00 47.33 47.29 3itt h GLY 168 CO -0.01 0.05 -0.50 0.50 0.00 0.00 0.00 176.54 176.58 3itt h LYS 169 N 0.09 0.22 0.00 4.80 1.57 -0.69 0.52 116.57 123.08 3itt h LYS 169 Ca 0.02 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3itt h LYS 169 Cb 0.26 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3itt h LYS 169 CO 0.02 0.67 0.00 0.00 -0.57 0.00 0.00 179.45 179.56 3itt n ALA 170 N -2.47 2.30 0.29 3.86 0.00 -0.73 -3.62 120.51 120.12 3itt n ALA 170 Ca -0.02 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.40 3itt n ALA 170 Cb 0.54 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 3itt n ALA 170 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3itt n ILE 171 N -1.98 0.00 -0.04 0.00 -5.35 -1.03 -4.79 119.36 106.17 3itt n ILE 171 Ca 0.06 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 3itt n ILE 171 Cb 0.40 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 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 0.88 0.98 3.79 3.28 0.00 -0.61 -4.67 105.19 108.84 3itt n GLY 172 Ca 0.02 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.01 5.11 -0.06 1.61 0.15 0.17 -4.80 113.70 113.88 3itt s SER 173 Ca 0.00 1.81 0.11 0.00 0.70 0.00 0.00 55.95 58.57 3itt s SER 173 Cb 0.00 -2.52 0.20 0.00 -1.71 0.00 0.00 66.02 61.99 3itt s SER 173 CO 0.00 -1.62 1.09 0.29 1.20 0.00 0.00 173.24 174.20 3itt n LYS 174 N -2.87 0.50 -3.52 5.44 4.76 -1.26 -4.53 118.16 116.68 3itt n LYS 174 Ca 0.09 -1.85 -0.10 0.00 -2.87 0.00 0.00 58.31 53.58 3itt n LYS 174 Cb 0.53 -0.78 -0.03 0.00 -1.84 0.00 0.00 35.03 32.91 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 -1.09 -1.83 -0.10 7.82 0.00 -1.26 -1.83 121.76 123.46 3itt s ALA 175 Ca 0.19 1.16 0.01 0.00 0.00 0.00 0.00 51.96 53.32 3itt s ALA 175 Cb 0.19 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.44 3itt s ALA 175 CO -0.03 -0.57 -0.13 -1.17 0.00 0.00 0.00 175.76 173.86 3itt s LEU 176 N -2.03 1.60 -0.21 0.00 2.96 -0.60 0.48 118.68 120.88 3itt s LEU 176 Ca 0.02 -0.38 -0.07 0.00 -0.22 0.00 0.00 54.13 53.47 3itt s LEU 176 Cb -0.01 -0.99 -0.04 0.00 0.50 0.00 0.00 46.19 45.66 3itt s LEU 176 CO -0.05 -0.01 0.07 -0.89 -1.32 0.00 0.00 176.35 174.15 3itt s THR 177 N 1.09 4.64 -0.31 3.68 2.01 0.42 -1.05 115.64 126.12 3itt s THR 177 Ca -0.05 -0.08 -0.04 0.00 0.31 0.00 0.00 61.69 61.83 3itt s THR 177 Cb -0.14 -3.12 0.04 0.00 0.01 0.00 0.00 72.50 69.28 3itt s THR 177 CO -0.02 0.41 0.04 -0.69 -0.69 0.00 0.00 174.62 173.67 3itt s VAL 178 N 0.83 3.34 -0.13 3.82 1.01 0.64 -3.21 120.40 126.70 3itt s VAL 178 Ca 0.04 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 60.82 3itt s VAL 178 Cb -0.14 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.39 3itt s VAL 178 CO 0.02 -0.09 -0.12 0.86 0.00 0.00 0.00 175.10 175.77 3itt s TRP 179 N 1.33 1.90 0.25 5.22 -0.00 -1.26 -2.41 118.94 123.98 3itt s TRP 179 Ca -0.03 -1.00 0.11 0.00 -0.00 0.00 0.00 56.10 55.17 3itt s TRP 179 Cb -0.19 -1.44 -0.05 0.00 -0.00 0.00 0.00 33.47 31.79 3itt s TRP 179 CO 0.00 -0.58 -0.19 0.96 -0.00 0.00 0.00 176.95 177.14 3itt s ILE 180 N 1.46 2.26 -2.14 5.86 -4.36 -1.26 -4.65 121.20 118.37 3itt s ILE 180 Ca 0.03 -2.32 0.27 0.00 -0.26 0.00 0.00 60.65 58.36 3itt s ILE 180 Cb -0.13 -2.21 0.37 0.00 1.25 0.00 0.00 42.46 41.74 3itt s ILE 180 CO -0.08 -0.43 1.60 0.61 0.24 0.00 0.00 174.94 176.87 3itt n GLY 181 N -0.48 -0.24 3.24 6.27 0.00 -1.26 -4.96 105.19 107.75 3itt n GLY 181 Ca -0.06 -0.45 -0.57 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.17 0.64 0.00 1.61 9.92 -1.26 -4.13 116.55 123.15 3itt n ASP 182 Ca 0.15 1.05 0.00 0.00 -0.53 0.00 0.00 54.79 55.45 3itt n ASP 182 Cb 0.37 -0.80 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 2.66 -0.55 3.08 0.44 0.00 -1.26 -1.66 105.19 107.89 3itt n GLY 183 Ca 0.24 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 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 0.35 0.00 1.61 1.04 0.12 -4.89 113.70 107.92 3itt s SER 184 Ca 0.00 -0.77 0.15 0.00 0.48 0.00 0.00 55.95 55.81 3itt s SER 184 Cb 0.00 0.19 0.03 0.00 0.10 0.00 0.00 66.02 66.34 3itt s SER 184 CO 0.00 -0.52 0.86 0.59 0.98 0.00 0.00 173.24 175.14 3itt n ASN 185 N 0.56 1.74 -3.87 7.02 4.13 -1.26 -0.59 115.26 122.99 3itt n ASN 185 Ca -0.17 -1.37 -0.12 0.00 1.68 0.00 0.00 54.58 54.59 3itt n ASN 185 Cb 0.59 0.34 -0.14 0.00 -1.54 0.00 0.00 39.78 39.04 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 -1.66 0.00 0.35 3.10 0.08 -1.26 -4.44 117.98 114.16 3itt s PHE 186 Ca 0.14 0.00 -0.29 0.00 0.12 0.00 0.00 56.93 56.90 3itt s PHE 186 Cb 0.12 -0.00 -0.11 0.00 -0.57 0.00 0.00 43.02 42.46 3itt s PHE 186 CO 0.33 -0.00 1.52 -2.14 -0.10 0.00 0.00 175.22 174.82 3itt s PRO 187 N 0.01 4.11 0.00 0.24 0.02 -1.26 -1.66 135.00 136.46 3itt s PRO 187 Ca -0.00 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.59 3itt s PRO 187 Cb -0.00 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.53 3itt s PRO 187 CO -0.00 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.52 3itt n GLY 188 N 0.98 2.82 0.31 0.52 0.00 -1.26 -4.87 105.19 103.70 3itt n GLY 188 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 0.31 0.65 -6.53 1.61 4.15 -1.75 -3.42 115.11 110.14 3itt h GLN 189 Ca 0.00 -0.04 -0.62 0.00 0.77 0.00 0.00 58.65 58.76 3itt h GLN 189 Cb 0.00 -0.15 -0.22 0.00 0.21 0.00 0.00 27.48 27.33 3itt h GLN 189 CO 0.00 0.43 -0.85 -1.12 -1.93 0.00 0.00 178.83 175.37 3itt s SER 190 N -5.47 2.95 -0.39 -0.69 0.01 -1.26 -5.09 113.70 103.76 3itt s SER 190 Ca -0.12 -0.73 -0.16 0.00 1.31 0.00 0.00 55.95 56.24 3itt s SER 190 Cb 0.21 -0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.27 3itt s SER 190 CO 0.78 0.11 0.41 0.21 0.41 0.00 0.00 173.24 175.16 3itt s ASN 191 N -2.04 6.19 0.19 2.44 3.84 -1.26 -4.97 114.94 119.33 3itt s ASN 191 Ca 0.11 -0.53 -0.17 0.00 0.21 0.00 0.00 52.86 52.48 3itt s ASN 191 Cb -0.10 -2.21 0.17 0.00 -0.55 0.00 0.00 41.25 38.56 3itt s ASN 191 CO 0.05 -0.49 1.61 -0.26 -2.79 0.00 0.00 177.10 175.23 3itt h PHE 192 N 8.63 -0.56 0.16 0.43 0.04 -1.98 -0.88 116.94 122.78 3itt h PHE 192 Ca -0.28 0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.55 3itt h PHE 192 Cb 1.12 0.33 0.00 0.00 2.20 0.00 0.00 35.95 39.61 3itt h PHE 192 CO 0.64 -0.31 -0.08 1.15 -0.60 0.00 0.00 178.31 179.11 3itt h THR 193 N -0.09 0.95 -0.79 -1.55 2.02 -1.99 -2.03 112.91 109.43 3itt h THR 193 Ca 0.26 -0.54 0.10 0.00 0.77 0.00 0.00 66.41 67.00 3itt h THR 193 Cb 0.49 1.28 -0.07 0.00 -1.74 0.00 0.00 68.15 68.11 3itt h THR 193 CO -0.62 0.13 0.44 0.03 0.37 0.00 0.00 175.52 175.86 3itt h ARG 194 N -0.47 0.71 -0.71 6.66 2.47 -1.93 0.75 114.38 121.86 3itt h ARG 194 Ca -0.02 -0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 58.60 3itt h ARG 194 Cb 0.37 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.50 3itt h ARG 194 CO 0.04 0.47 0.23 0.00 0.56 0.00 0.00 179.97 181.27 3itt h ALA 195 N 1.45 1.06 -0.30 0.04 0.00 -1.13 -1.75 119.26 118.62 3itt h ALA 195 Ca 0.39 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 3itt h ALA 195 Cb 0.37 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3itt h ALA 195 CO -0.25 0.64 -0.45 0.35 0.00 0.00 0.00 179.25 179.53 3itt h PHE 196 N 1.05 0.95 -0.76 0.00 3.57 -0.51 -1.90 116.94 119.35 3itt h PHE 196 Ca 0.23 -0.30 0.01 0.00 3.53 0.00 0.00 57.97 61.44 3itt h PHE 196 Cb 0.28 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 3itt h PHE 196 CO 0.02 1.09 0.50 0.93 -2.23 0.00 0.00 178.31 178.62 3itt h GLU 197 N 0.62 1.00 -0.57 1.11 5.08 -0.62 -0.19 114.58 121.00 3itt h GLU 197 Ca 0.04 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 3itt h GLU 197 Cb 1.02 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 3itt h GLU 197 CO 0.10 0.66 0.09 0.00 -1.00 0.00 0.00 179.01 178.86 3itt h ARG 198 N 1.02 0.94 -0.36 2.33 3.08 -1.18 -1.58 114.38 118.64 3itt h ARG 198 Ca 0.28 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3itt h ARG 198 Cb -0.12 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 3itt h ARG 198 CO -0.06 0.90 0.23 -0.92 -1.07 0.00 0.00 179.97 179.05 3itt h TYR 199 N 0.84 0.47 -0.37 3.04 5.03 -0.78 -1.74 116.97 123.45 3itt h TYR 199 Ca 0.17 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.50 3itt h TYR 199 Cb 0.41 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.51 3itt h TYR 199 CO 0.03 0.32 0.22 -0.07 -1.32 0.00 0.00 178.16 177.34 3itt h LEU 200 N 0.48 0.36 -0.71 2.82 3.38 -0.82 -0.47 115.31 120.35 3itt h LEU 200 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3itt h LEU 200 Cb -0.03 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3itt h LEU 200 CO -0.03 0.26 0.41 -1.28 0.09 0.00 0.00 178.44 177.90 3itt h SER 201 N 0.45 0.86 -0.25 -0.43 0.87 -1.07 -1.31 113.55 112.68 3itt h SER 201 Ca 0.14 -0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 3itt h SER 201 Cb -0.00 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 3itt h SER 201 CO -0.06 0.69 -0.18 0.00 -0.53 0.00 0.00 176.83 176.74 3itt h ALA 202 N 1.21 0.36 -0.52 6.23 0.00 -1.08 -2.93 119.26 122.54 3itt h ALA 202 Ca 0.25 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3itt h ALA 202 Cb -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3itt h ALA 202 CO -0.05 0.28 0.34 0.52 0.00 0.00 0.00 179.25 180.34 3itt h MET 203 N 0.28 0.61 -0.79 0.00 2.07 -0.90 -0.80 114.93 115.39 3itt h MET 203 Ca 0.05 -0.04 -0.00 0.00 -2.07 0.00 0.00 59.70 57.64 3itt h MET 203 Cb 0.72 -0.14 -0.04 0.00 -1.87 0.00 0.00 31.60 30.27 3itt h MET 203 CO 0.05 0.40 0.48 0.00 1.07 0.00 0.00 176.91 178.91 3itt h ALA 204 N 1.69 1.35 -0.12 6.32 0.00 -1.06 0.42 119.26 127.87 3itt h ALA 204 Ca 0.20 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3itt h ALA 204 Cb 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3itt h ALA 204 CO -0.05 0.56 -0.30 0.93 0.00 0.00 0.00 179.25 180.39 3itt h GLU 205 N 1.09 0.23 -0.14 0.00 5.08 -1.03 -2.08 114.58 117.73 3itt h GLU 205 Ca 0.29 -0.08 -0.22 0.00 -1.00 0.00 0.00 59.36 58.34 3itt h GLU 205 Cb -0.05 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.20 3itt h GLU 205 CO -0.05 0.51 -0.77 0.82 -1.00 0.00 0.00 179.01 178.52 3itt h ILE 206 N 0.20 1.28 -0.55 3.13 2.04 -0.90 -3.21 117.51 119.50 3itt h ILE 206 Ca 0.03 -1.97 0.03 0.00 1.00 0.00 0.00 64.86 63.95 3itt h ILE 206 Cb 0.64 2.02 -0.04 0.00 -0.74 0.00 0.00 36.82 38.70 3itt h ILE 206 CO 0.05 0.62 0.32 0.22 0.00 0.00 0.00 178.15 179.35 3itt h TYR 207 N 0.50 0.59 -0.24 1.37 5.03 -0.66 -1.18 116.97 122.38 3itt h TYR 207 Ca -0.06 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.34 3itt h TYR 207 Cb 1.40 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 39.49 3itt h TYR 207 CO 0.09 0.32 0.18 0.87 -1.32 0.00 0.00 178.16 178.30 3itt h LYS 208 N 0.62 0.00 -0.25 1.82 1.57 -1.40 0.11 116.57 119.04 3itt h LYS 208 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3itt h LYS 208 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3itt h LYS 208 CO -0.12 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.17 3itt n GLY 209 N -1.57 0.30 3.70 3.86 0.00 -0.46 -4.90 105.19 106.13 3itt n GLY 209 Ca 0.03 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 3itt n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3itt s LEU 210 N -1.20 4.31 1.11 0.99 1.43 0.02 -5.03 118.68 120.32 3itt s LEU 210 Ca 0.24 1.42 -0.12 0.00 -1.03 0.00 0.00 54.13 54.64 3itt s LEU 210 Cb 0.13 -3.36 0.25 0.00 0.03 0.00 0.00 46.19 43.24 3itt s LEU 210 CO 0.18 -0.25 1.06 -2.84 0.23 0.00 0.00 176.35 174.72 3itt s PRO 211 N 1.19 -0.48 0.33 1.29 0.02 -1.26 -4.91 135.00 131.19 3itt s PRO 211 Ca 0.45 1.00 0.09 0.00 0.02 0.00 0.00 61.00 62.56 3itt s PRO 211 Cb -0.19 -1.59 0.57 0.00 0.02 0.00 0.00 34.50 33.31 3itt s PRO 211 CO 0.22 -3.47 1.77 0.22 -0.33 0.00 0.00 177.00 175.40 3itt h ASP 212 N -2.45 0.18 -0.75 2.53 3.58 -1.99 -2.96 116.42 114.55 3itt h ASP 212 Ca -0.57 -0.06 -0.21 0.00 0.42 0.00 0.00 57.03 56.60 3itt h ASP 212 Cb 1.32 -0.05 -0.13 0.00 1.72 0.00 0.00 39.33 42.19 3itt h ASP 212 CO 0.48 0.53 0.27 -0.90 -2.88 0.00 0.00 179.24 176.74 3itt n ASP 213 N -4.08 4.94 -4.71 2.28 5.75 -1.26 -4.95 116.55 114.51 3itt n ASP 213 Ca -0.01 -3.22 -0.24 0.00 -0.01 0.00 0.00 54.79 51.31 3itt n ASP 213 Cb 0.43 -0.75 -0.06 0.00 -1.03 0.00 0.00 41.12 39.70 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 -3.00 2.90 0.07 2.11 0.52 -1.12 -4.84 118.94 115.58 3itt s TRP 214 Ca 0.56 -0.15 0.10 0.00 0.02 0.00 0.00 56.10 56.62 3itt s TRP 214 Cb 0.44 -1.33 -0.03 0.00 -1.15 0.00 0.00 33.47 31.40 3itt s TRP 214 CO 0.14 0.56 -0.26 0.15 0.02 0.00 0.00 176.95 177.56 3itt s LYS 215 N -3.47 1.63 -0.27 4.98 -0.14 -0.76 -4.86 119.74 116.84 3itt s LYS 215 Ca 0.31 -1.16 -0.02 0.00 -1.36 0.00 0.00 55.97 53.74 3itt s LYS 215 Cb -0.08 -1.89 0.04 0.00 -1.68 0.00 0.00 37.83 34.21 3itt s LYS 215 CO 0.21 0.48 -0.03 -1.17 -0.76 0.00 0.00 175.35 174.08 3itt s LEU 216 N -1.48 3.55 -0.20 3.17 2.96 0.15 -1.56 118.68 125.28 3itt s LEU 216 Ca 0.12 -1.05 -0.06 0.00 -0.22 0.00 0.00 54.13 52.92 3itt s LEU 216 Cb -0.10 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 3itt s LEU 216 CO 0.03 -0.19 0.02 -0.36 -1.32 0.00 0.00 176.35 174.53 3itt s PHE 217 N 1.30 3.10 -0.16 5.38 0.08 -0.21 -0.93 117.98 126.55 3itt s PHE 217 Ca -0.02 -0.26 -0.07 0.00 0.12 0.00 0.00 56.93 56.70 3itt s PHE 217 Cb -0.18 -2.09 -0.04 0.00 -0.57 0.00 0.00 43.02 40.14 3itt s PHE 217 CO -0.03 -0.10 0.06 -1.54 -0.10 0.00 0.00 175.22 173.51 3itt s SER 218 N 0.81 5.69 -0.25 1.36 1.04 -0.91 -0.26 113.70 121.17 3itt s SER 218 Ca 0.02 0.15 -0.06 0.00 0.48 0.00 0.00 55.95 56.53 3itt s SER 218 Cb -0.14 -1.91 -0.02 0.00 0.10 0.00 0.00 66.02 64.06 3itt s SER 218 CO 0.02 0.24 0.04 -0.70 0.98 0.00 0.00 173.24 173.82 3itt s GLU 219 N -0.02 3.47 0.41 4.02 2.12 -1.01 -1.44 118.70 126.25 3itt s GLU 219 Ca 0.06 -0.59 -0.12 0.00 0.36 0.00 0.00 54.97 54.68 3itt s GLU 219 Cb -0.12 -3.25 -0.07 0.00 0.26 0.00 0.00 34.13 30.95 3itt s GLU 219 CO 0.01 -0.24 0.80 -3.38 -0.54 0.00 0.00 175.26 171.90 3itt s HIS 220 N 1.56 3.45 -0.22 5.30 -3.43 -1.25 -4.76 115.29 115.94 3itt s HIS 220 Ca 0.05 1.13 -0.11 0.00 -0.80 0.00 0.00 55.06 55.33 3itt s HIS 220 Cb -0.15 -2.50 0.08 0.00 -1.43 0.00 0.00 32.58 28.57 3itt s HIS 220 CO 0.02 -0.12 0.53 0.21 -2.00 0.00 0.00 174.74 173.38 3itt s LYS 221 N -3.77 0.51 0.21 -0.38 2.20 -0.08 -4.73 119.74 113.71 3itt s LYS 221 Ca 0.53 1.03 -0.10 0.00 -0.36 0.00 0.00 55.97 57.06 3itt s LYS 221 Cb -0.10 0.15 0.15 0.00 -1.51 0.00 0.00 37.83 36.52 3itt s LYS 221 CO 0.30 -0.17 1.87 1.98 -0.36 0.00 0.00 175.35 178.97 3itt h MET 222 N 7.27 0.98 -2.69 4.03 1.85 -1.20 -3.34 114.93 121.83 3itt h MET 222 Ca -0.30 -0.06 0.12 0.00 -0.61 0.00 0.00 59.70 58.84 3itt h MET 222 Cb 1.18 -0.22 -0.06 0.00 0.43 0.00 0.00 31.60 32.94 3itt h MET 222 CO 0.21 0.65 0.36 1.52 -0.40 0.00 0.00 176.91 179.25 3itt s TYR 223 N -6.12 -0.14 0.04 1.39 1.13 -1.26 -4.53 117.35 107.87 3itt s TYR 223 Ca -0.13 -0.27 0.00 0.00 -1.41 0.00 0.00 57.07 55.26 3itt s TYR 223 Cb 0.15 0.69 0.00 0.00 -1.10 0.00 0.00 41.96 41.69 3itt s TYR 223 CO 0.78 -1.07 0.00 -1.91 -2.51 0.00 0.00 175.55 170.84 3itt n GLU 224 N -0.48 -1.54 0.08 -3.49 2.13 -1.26 -4.80 120.64 111.28 3itt n GLU 224 Ca -0.05 1.46 0.10 0.00 0.66 0.00 0.00 57.16 59.33 3itt n GLU 224 Cb 0.60 -1.41 0.43 0.00 0.27 0.00 0.00 31.44 31.33 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 0.53 0.12 -3.08 5.31 -0.04 -1.26 -4.98 135.00 131.60 3itt n PRO 225 Ca 0.00 0.34 -0.39 0.00 -0.04 0.00 0.00 63.50 63.40 3itt n PRO 225 Cb 0.00 -1.73 -0.05 0.00 -0.04 0.00 0.00 33.50 31.68 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 -3.18 3.36 -1.23 0.55 0.00 -1.26 -4.98 121.76 115.02 3itt s ALA 226 Ca 0.06 0.11 0.15 0.00 0.00 0.00 0.00 51.96 52.27 3itt s ALA 226 Cb 0.10 -2.91 0.43 0.00 0.00 0.00 0.00 23.12 20.74 3itt s ALA 226 CO 0.36 -0.06 1.36 1.19 0.00 0.00 0.00 175.76 178.62 3itt n PHE 227 N 3.61 0.68 0.04 0.00 3.72 -1.21 -4.56 117.46 119.74 3itt n PHE 227 Ca -0.02 -0.52 0.00 0.00 -0.05 0.00 0.00 57.45 56.86 3itt n PHE 227 Cb 0.51 -0.04 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 0.86 -0.37 -3.97 1.38 9.36 0.24 -4.91 117.16 119.74 3itt n TYR 228 Ca 0.16 0.07 -0.09 0.00 3.32 0.00 0.00 57.90 61.36 3itt n TYR 228 Cb 0.52 0.14 -0.10 0.00 -0.63 0.00 0.00 39.34 39.27 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 -5.43 0.25 -0.03 2.98 1.04 -0.29 -4.97 113.70 107.26 3itt s SER 229 Ca 0.00 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 55.86 3itt s SER 229 Cb 0.00 0.18 0.01 0.00 0.10 0.00 0.00 66.02 66.31 3itt s SER 229 CO 0.00 -0.45 -0.07 -0.89 0.98 0.00 0.00 173.24 172.82 3itt s THR 230 N -2.39 0.63 0.11 2.02 2.01 -1.26 0.14 115.64 116.91 3itt s THR 230 Ca -0.07 -0.25 -0.25 0.00 0.31 0.00 0.00 61.69 61.44 3itt s THR 230 Cb -0.03 -0.59 -0.07 0.00 0.01 0.00 0.00 72.50 71.82 3itt s THR 230 CO -0.04 0.22 1.67 0.58 -0.69 0.00 0.00 174.62 176.35 3itt h VAL 231 N 5.64 0.58 -2.87 3.82 2.07 -1.66 -2.92 116.25 120.91 3itt h VAL 231 Ca -0.34 0.00 -0.79 0.00 0.82 0.00 0.00 66.70 66.38 3itt h VAL 231 Cb 1.17 0.58 -0.29 0.00 -1.52 0.00 0.00 31.29 31.23 3itt h VAL 231 CO 0.49 0.00 0.67 0.52 0.02 0.00 0.00 177.57 179.27 3itt n VAL 232 N -5.31 5.10 0.07 2.57 0.31 -1.26 -4.83 118.33 114.99 3itt n VAL 232 Ca -0.05 -5.88 -0.07 0.00 -0.01 0.00 0.00 64.34 58.33 3itt n VAL 232 Cb 0.22 -2.08 -0.08 0.00 -0.91 0.00 0.00 33.84 30.99 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 5.35 0.01 0.00 5.55 -0.00 -1.64 -0.17 115.11 124.22 3itt h GLN 233 Ca 0.20 -0.02 -0.20 0.00 -0.00 0.00 0.00 58.65 58.62 3itt h GLN 233 Cb 0.62 0.01 -0.05 0.00 -0.00 0.00 0.00 27.48 28.06 3itt h GLN 233 CO 1.29 0.95 -0.09 -0.40 -0.00 0.00 0.00 178.83 180.58 3itt n ASP 234 N -3.43 -1.11 0.23 0.06 5.68 -1.26 -2.17 116.55 114.55 3itt n ASP 234 Ca -0.01 -2.45 0.09 0.00 -0.50 0.00 0.00 54.79 51.92 3itt n ASP 234 Cb 0.89 2.04 0.53 0.00 -1.14 0.00 0.00 41.12 43.44 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 1.79 0.00 -0.05 2.11 5.08 -1.95 -1.44 115.95 121.49 3itt h TRP 235 Ca -0.21 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.75 3itt h TRP 235 Cb 0.92 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.08 3itt h TRP 235 CO 0.00 0.24 0.00 0.78 -1.28 0.00 0.00 178.44 178.18 3itt h GLY 236 N 1.32 0.10 1.13 11.11 0.00 -1.99 0.21 103.07 114.95 3itt h GLY 236 Ca -0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 3itt h GLY 236 CO 0.03 0.07 0.10 -0.84 0.00 0.00 0.00 176.54 175.90 3itt h THR 237 N -0.20 1.26 -0.82 4.70 2.02 -1.92 -2.20 112.91 115.75 3itt h THR 237 Ca 0.01 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 3itt h THR 237 Cb 0.33 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 3itt h THR 237 CO 0.00 0.38 0.47 -1.13 0.37 0.00 0.00 175.52 175.62 3itt h ASN 238 N 1.00 1.01 -0.53 4.18 -1.24 -1.04 -1.02 115.58 117.93 3itt h ASN 238 Ca 0.20 -0.07 -0.05 0.00 0.71 0.00 0.00 56.30 57.08 3itt h ASN 238 Cb 0.43 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.21 3itt h ASN 238 CO 0.01 0.79 0.13 0.22 -1.29 0.00 0.00 177.43 177.29 3itt h TYR 239 N 1.14 0.89 -0.79 0.67 3.20 -0.16 -1.46 116.97 120.46 3itt h TYR 239 Ca 0.29 -0.11 0.01 0.00 3.14 0.00 0.00 58.73 62.06 3itt h TYR 239 Cb -0.01 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 37.97 3itt h TYR 239 CO 0.01 0.78 0.52 -0.07 -1.64 0.00 0.00 178.16 177.76 3itt h LEU 240 N 0.74 0.91 0.87 2.82 3.38 -0.79 -0.11 115.31 123.12 3itt h LEU 240 Ca 0.17 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3itt h LEU 240 Cb 0.34 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.87 3itt h LEU 240 CO 0.00 0.66 -0.42 0.40 0.09 0.00 0.00 178.44 179.17 3itt h ILE 241 N 1.07 0.04 -0.81 1.22 2.04 -0.72 -1.62 117.51 118.72 3itt h ILE 241 Ca 0.29 -0.12 0.11 0.00 1.00 0.00 0.00 64.86 66.13 3itt h ILE 241 Cb -0.12 0.04 -0.08 0.00 -0.74 0.00 0.00 36.82 35.92 3itt h ILE 241 CO -0.06 0.00 0.44 0.00 0.00 0.00 0.00 178.15 178.53 3itt h ALA 242 N -1.25 1.17 -0.13 1.87 0.00 -1.04 0.27 119.26 120.15 3itt h ALA 242 Ca -0.12 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3itt h ALA 242 Cb 0.90 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3itt h ALA 242 CO 0.20 0.02 -0.42 0.37 0.00 0.00 0.00 179.25 179.41 3itt h GLN 243 N 0.71 0.31 0.00 0.00 5.75 -1.03 -2.78 115.11 118.07 3itt h GLN 243 Ca 0.41 -0.15 -0.14 0.00 -0.15 0.00 0.00 58.65 58.62 3itt h GLN 243 Cb 0.45 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.01 3itt h GLN 243 CO -0.28 0.68 -0.56 1.15 -2.65 0.00 0.00 178.83 177.17 3itt h THR 244 N 0.26 1.45 -0.04 2.39 2.02 -0.35 -3.36 112.91 115.27 3itt h THR 244 Ca 0.02 -2.07 -0.00 0.00 0.77 0.00 0.00 66.41 65.12 3itt h THR 244 Cb 0.85 2.64 -0.00 0.00 -1.74 0.00 0.00 68.15 69.90 3itt h THR 244 CO 0.07 0.60 0.01 -0.07 0.37 0.00 0.00 175.52 176.50 3itt h LEU 245 N -0.17 0.06 0.00 2.58 3.38 -1.00 -3.50 115.31 116.66 3itt h LEU 245 Ca -0.07 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3itt h LEU 245 Cb 1.28 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3itt h LEU 245 CO 0.11 0.26 0.00 0.61 0.09 0.00 0.00 178.44 179.51 3itt n GLY 246 N -0.53 0.58 0.31 0.83 0.00 -1.05 -4.94 105.19 100.39 3itt n GLY 246 Ca -0.07 -1.67 0.18 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.01 1.61 0.13 -1.91 -1.71 132.00 130.11 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 0.03 -0.13 1.63 -0.23 0.00 0.00 178.00 179.29 3itt n LYS 248 N -3.34 0.82 -3.84 0.86 5.02 -1.26 -4.77 118.16 111.65 3itt n LYS 248 Ca -0.02 -0.35 -0.36 0.00 -2.02 0.00 0.00 58.31 55.56 3itt n LYS 248 Cb 0.15 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.55 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 -2.42 3.34 0.27 7.82 0.00 -0.64 0.34 121.76 130.46 3itt s ALA 249 Ca 0.29 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.32 3itt s ALA 249 Cb 0.20 -2.09 -0.05 0.00 0.00 0.00 0.00 23.12 21.18 3itt s ALA 249 CO 0.47 -0.20 0.11 -0.65 0.00 0.00 0.00 175.76 175.49 3itt s GLN 250 N 1.08 1.45 -0.08 0.00 -0.21 -0.10 -4.71 119.66 117.09 3itt s GLN 250 Ca 0.05 -1.79 -0.10 0.00 0.02 0.00 0.00 55.36 53.53 3itt s GLN 250 Cb -0.14 -0.23 -0.05 0.00 1.00 0.00 0.00 33.01 33.59 3itt s GLN 250 CO 0.04 -0.33 0.25 0.00 -2.12 0.00 0.00 175.29 173.13 3itt s LEU 252 N -0.97 3.57 -0.36 0.00 0.20 -0.52 0.54 118.68 121.13 3itt s LEU 252 Ca 0.18 0.04 -0.05 0.00 0.69 0.00 0.00 54.13 54.99 3itt s LEU 252 Cb -0.14 -1.86 0.07 0.00 -0.43 0.00 0.00 46.19 43.83 3itt s LEU 252 CO 0.07 0.24 0.13 -0.69 -0.29 0.00 0.00 176.35 175.81 3itt s VAL 253 N -0.02 3.56 -0.25 1.68 1.01 -0.78 -3.92 120.40 121.68 3itt s VAL 253 Ca 0.04 -1.46 -0.15 0.00 0.00 0.00 0.00 61.98 60.40 3itt s VAL 253 Cb -0.13 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 3itt s VAL 253 CO 0.02 -0.35 0.39 -0.62 0.00 0.00 0.00 175.10 174.54 3itt s ASP 254 N 1.61 6.31 0.19 3.32 -1.08 -1.26 -1.73 116.67 124.03 3itt s ASP 254 Ca 0.01 0.36 -0.17 0.00 -0.52 0.00 0.00 52.55 52.22 3itt s ASP 254 Cb -0.21 -2.22 0.16 0.00 -1.46 0.00 0.00 42.92 39.19 3itt s ASP 254 CO 0.00 -0.16 1.62 -0.07 0.52 0.00 0.00 175.17 177.08 3itt h LEU 255 N 8.38 -0.77 -1.09 -1.34 3.38 -1.75 -2.02 115.31 120.10 3itt h LEU 255 Ca -0.32 0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3itt h LEU 255 Cb 1.16 0.43 0.00 0.00 0.09 0.00 0.00 40.66 42.34 3itt h LEU 255 CO 0.67 -0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.56 3itt n GLY 256 N -1.42 1.35 1.70 0.83 0.00 -1.26 -4.02 105.19 102.38 3itt n GLY 256 Ca 0.05 -0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 0.01 1.97 -4.46 1.61 8.25 -0.76 -3.46 115.22 118.37 3itt n HIS 257 Ca 0.02 -1.00 -0.24 0.00 -0.26 0.00 0.00 57.72 56.24 3itt n HIS 257 Cb 0.29 -0.55 -0.10 0.00 1.12 0.00 0.00 29.99 30.76 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 -2.91 2.38 0.73 4.41 3.76 -1.26 -2.65 115.29 119.75 3itt s HIS 258 Ca 0.52 -0.37 -0.15 0.00 -0.15 0.00 0.00 55.06 54.91 3itt s HIS 258 Cb 0.41 -1.15 0.04 0.00 1.11 0.00 0.00 32.58 32.99 3itt s HIS 258 CO 0.13 0.66 1.21 0.00 -0.85 0.00 0.00 174.74 175.89 3itt s ALA 259 N -2.52 2.12 0.28 -1.40 0.00 -1.26 -4.90 121.76 114.09 3itt s ALA 259 Ca 0.31 0.90 -0.29 0.00 0.00 0.00 0.00 51.96 52.88 3itt s ALA 259 Cb -0.03 -3.48 -0.13 0.00 0.00 0.00 0.00 23.12 19.48 3itt s ALA 259 CO 0.16 -1.88 1.28 -2.30 0.00 0.00 0.00 175.76 173.02 3itt n PRO 260 N -2.69 1.90 -0.87 0.00 -0.02 -1.26 -2.11 135.00 129.96 3itt n PRO 260 Ca 0.14 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3itt n PRO 260 Cb 0.50 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 1.44 -0.75 -4.70 2.55 3.02 -1.26 -5.00 115.26 110.57 3itt n ASN 261 Ca 0.09 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.24 3itt n ASN 261 Cb 0.33 -0.95 0.02 0.00 -0.61 0.00 0.00 39.78 38.57 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 -2.13 2.87 -3.03 3.41 -1.04 -0.90 -4.90 114.28 108.57 3itt n THR 262 Ca 0.00 -0.50 -0.45 0.00 -2.04 0.00 0.00 64.05 61.06 3itt n THR 262 Cb 0.03 -1.56 -0.03 0.00 -1.82 0.00 0.00 70.33 66.96 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 -0.65 6.61 0.19 8.00 3.84 -1.26 -4.86 114.94 126.80 3itt s ASN 263 Ca 0.64 -2.11 -0.07 0.00 0.21 0.00 0.00 52.86 51.53 3itt s ASN 263 Cb -0.48 -2.35 0.10 0.00 -0.55 0.00 0.00 41.25 37.97 3itt s ASN 263 CO 0.56 -0.97 1.62 0.40 -2.79 0.00 0.00 177.10 175.91 3itt h ILE 264 N 5.60 1.27 0.00 -5.21 2.04 -1.98 -2.91 117.51 116.32 3itt h ILE 264 Ca 0.10 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 64.67 3itt h ILE 264 Cb 1.03 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 3itt h ILE 264 CO 1.03 0.44 -0.09 1.05 0.00 0.00 0.00 178.15 180.58 3itt h GLU 265 N 0.84 0.00 -0.37 2.37 9.09 -1.91 -1.27 114.58 123.33 3itt h GLU 265 Ca 0.13 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.44 3itt h GLU 265 Cb 0.68 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.77 3itt h GLU 265 CO 0.05 0.09 -0.16 1.98 0.05 0.00 0.00 179.01 181.02 3itt h MET 266 N 0.00 0.76 -0.89 1.06 4.05 -1.92 -2.23 114.93 115.76 3itt h MET 266 Ca -0.00 -0.33 0.07 0.00 -0.28 0.00 0.00 59.70 59.16 3itt h MET 266 Cb 0.18 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 30.89 3itt h MET 266 CO 0.01 0.94 0.56 0.82 0.23 0.00 0.00 176.91 179.47 3itt h ILE 267 N 0.55 1.04 -0.23 1.77 2.04 -1.21 -0.44 117.51 121.03 3itt h ILE 267 Ca 0.08 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.60 3itt h ILE 267 Cb 0.70 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3itt h ILE 267 CO 0.05 0.18 0.14 0.58 0.00 0.00 0.00 178.15 179.11 3itt h VAL 268 N 1.01 1.04 -0.50 1.67 2.07 -1.20 -1.21 116.25 119.12 3itt h VAL 268 Ca 0.39 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.78 3itt h VAL 268 Cb 0.19 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3itt h VAL 268 CO -0.18 0.05 0.20 0.00 0.02 0.00 0.00 177.57 177.67 3itt h ALA 269 N 1.09 1.41 -0.16 1.67 0.00 -0.71 -1.49 119.26 121.07 3itt h ALA 269 Ca 0.09 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3itt h ALA 269 Cb -0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3itt h ALA 269 CO -0.03 0.45 -0.13 0.00 0.00 0.00 0.00 179.25 179.54 3itt h ARG 270 N 0.72 0.38 -0.12 0.00 2.47 -0.69 -0.81 114.38 116.32 3itt h ARG 270 Ca 0.17 -0.19 -0.05 0.00 -1.26 0.00 0.00 59.98 58.66 3itt h ARG 270 Cb 0.14 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 3itt h ARG 270 CO -0.02 0.73 -0.15 -0.07 0.56 0.00 0.00 179.97 181.03 3itt h LEU 271 N 0.03 0.19 -0.22 3.04 3.38 -1.08 -1.84 115.31 118.80 3itt h LEU 271 Ca 0.03 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3itt h LEU 271 Cb 0.65 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3itt h LEU 271 CO 0.03 0.35 -0.18 0.40 0.09 0.00 0.00 178.44 179.14 3itt h ILE 272 N 0.19 1.32 -0.89 1.22 2.04 -1.15 0.47 117.51 120.70 3itt h ILE 272 Ca 0.04 -1.31 0.07 0.00 1.00 0.00 0.00 64.86 64.66 3itt h ILE 272 Cb 0.38 1.68 -0.07 0.00 -0.74 0.00 0.00 36.82 38.07 3itt h ILE 272 CO 0.02 0.40 0.55 -0.61 0.00 0.00 0.00 178.15 178.52 3itt h GLN 273 N 0.21 0.95 -0.72 2.37 4.15 -0.47 -1.57 115.11 120.04 3itt h GLN 273 Ca 0.04 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.27 3itt h GLN 273 Cb 0.71 -0.22 -0.08 0.00 0.21 0.00 0.00 27.48 28.10 3itt h GLN 273 CO 0.05 0.63 0.18 1.19 -1.93 0.00 0.00 178.83 178.94 3itt n PHE 274 N -4.62 2.22 -3.98 3.99 3.72 -0.76 -4.95 117.46 113.09 3itt n PHE 274 Ca 0.14 -0.99 -0.31 0.00 -0.05 0.00 0.00 57.45 56.23 3itt n PHE 274 Cb 0.21 -0.61 0.02 0.00 -0.94 0.00 0.00 39.48 38.15 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 0.12 -0.49 0.18 1.37 0.00 -0.59 -4.90 105.19 100.89 3itt n GLY 275 Ca 0.35 0.18 0.05 0.00 0.00 0.00 0.00 46.02 46.60 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 -4.63 1.05 -2.75 1.61 4.76 0.16 -4.96 118.16 113.40 3itt n LYS 276 Ca 0.05 -1.86 -0.42 0.00 -2.87 0.00 0.00 58.31 53.21 3itt n LYS 276 Cb 0.52 -1.09 -0.03 0.00 -1.84 0.00 0.00 35.03 32.59 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 -1.63 4.08 0.20 -0.35 2.96 -1.10 0.35 118.68 123.19 3itt s LEU 277 Ca 0.17 -1.10 0.01 0.00 -0.22 0.00 0.00 54.13 52.98 3itt s LEU 277 Cb 0.15 -2.47 0.14 0.00 0.50 0.00 0.00 46.19 44.51 3itt s LEU 277 CO 0.02 -1.49 1.50 1.23 -1.32 0.00 0.00 176.35 176.29 3itt h GLY 278 N 11.81 0.39 0.00 7.98 0.00 -0.18 -3.42 103.07 119.64 3itt h GLY 278 Ca -0.14 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.67 3itt h GLY 278 CO 1.23 0.46 0.00 0.61 0.00 0.00 0.00 176.54 178.84 3itt n GLY 279 N 0.40 -1.60 3.39 4.60 0.00 -1.17 -0.65 105.19 110.16 3itt n GLY 279 Ca -0.03 -1.15 -0.22 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.78 1.97 -0.33 1.61 0.08 0.20 -1.87 117.98 116.86 3itt s PHE 280 Ca 0.00 -0.46 0.01 0.00 0.12 0.00 0.00 56.93 56.61 3itt s PHE 280 Cb 0.00 -0.90 0.10 0.00 -0.57 0.00 0.00 43.02 41.65 3itt s PHE 280 CO 0.00 0.48 0.08 -1.01 -0.10 0.00 0.00 175.22 174.68 3itt s HIS 281 N -2.55 2.52 0.28 0.36 3.76 -0.70 -1.30 115.29 117.66 3itt s HIS 281 Ca 0.24 -2.25 -0.24 0.00 -0.15 0.00 0.00 55.06 52.66 3itt s HIS 281 Cb -0.04 -2.19 -0.09 0.00 1.11 0.00 0.00 32.58 31.37 3itt s HIS 281 CO 0.10 -0.90 0.86 -0.06 -0.85 0.00 0.00 174.74 173.88 3itt s PHE 282 N 1.31 3.68 0.00 1.40 0.40 0.10 -2.15 117.98 122.71 3itt s PHE 282 Ca 0.10 1.63 0.00 0.00 -0.60 0.00 0.00 56.93 58.06 3itt s PHE 282 Cb -0.18 -2.80 0.00 0.00 0.51 0.00 0.00 43.02 40.55 3itt s PHE 282 CO -0.18 0.26 0.00 0.27 0.70 0.00 0.00 175.22 176.27 3itt n ASN 283 N 0.64 0.00 -4.33 1.36 0.23 -1.26 -1.49 115.26 110.41 3itt n ASN 283 Ca 0.00 0.00 -0.17 0.00 -0.53 0.00 0.00 54.58 53.88 3itt n ASN 283 Cb 0.50 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.10 3itt n ASN 283 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3itt s ASP 284 N 0.00 1.48 0.13 0.53 -1.08 0.05 -4.59 116.67 113.19 3itt s ASP 284 Ca 0.00 -1.32 -0.26 0.00 -0.52 0.00 0.00 52.55 50.45 3itt s ASP 284 Cb 0.00 0.09 0.07 0.00 -1.46 0.00 0.00 42.92 41.62 3itt s ASP 284 CO 0.00 -0.65 0.97 -0.94 0.52 0.00 0.00 175.17 175.07 3itt s SER 285 N -3.31 -0.19 0.00 -0.34 1.04 -1.26 -1.10 113.70 108.53 3itt s SER 285 Ca 0.34 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.41 3itt s SER 285 Cb 0.07 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3itt s SER 285 CO 0.11 -0.85 0.00 1.17 0.98 0.00 0.00 173.24 174.66 3itt n LYS 286 N -0.45 1.88 0.02 4.02 4.81 -1.26 -4.77 118.16 122.41 3itt n LYS 286 Ca -0.06 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.36 3itt n LYS 286 Cb 0.61 -0.67 -0.01 0.00 0.02 0.00 0.00 35.03 34.98 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 -0.92 0.00 0.00 5.64 4.01 -1.26 -5.11 117.16 119.52 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 0.14 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 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 3.08 4.89 2.63 2.72 0.00 -1.26 -4.91 105.19 112.34 3itt n GLY 288 Ca -0.03 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 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 6.79 0.30 1.61 2.03 -1.22 -4.73 116.55 121.33 3itt n ASP 289 Ca 0.00 -3.09 0.18 0.00 0.52 0.00 0.00 54.79 52.40 3itt n ASP 289 Cb 0.00 -1.42 0.95 0.00 -0.72 0.00 0.00 41.12 39.93 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 5.12 0.00 -5.55 1.67 3.32 -1.83 -3.47 116.42 115.68 3itt h ASP 290 Ca 0.58 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 57.21 3itt h ASP 290 Cb 0.44 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3itt h ASP 290 CO 1.57 0.03 -0.65 0.47 -1.72 0.00 0.00 179.24 178.94 3itt n ASP 291 N -3.37 -4.95 -4.90 6.45 8.00 -1.23 -4.81 116.55 111.74 3itt n ASP 291 Ca -0.02 -0.52 -0.29 0.00 0.71 0.00 0.00 54.79 54.67 3itt n ASP 291 Cb 0.15 -3.99 0.05 0.00 -0.02 0.00 0.00 41.12 37.31 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 -6.90 2.93 0.12 0.64 1.43 -0.26 -1.48 118.68 115.16 3itt s LEU 292 Ca 0.49 0.94 -0.35 0.00 -1.03 0.00 0.00 54.13 54.18 3itt s LEU 292 Cb -0.24 -3.70 -0.14 0.00 0.03 0.00 0.00 46.19 42.14 3itt s LEU 292 CO 0.61 -1.36 1.55 0.47 0.23 0.00 0.00 176.35 177.85 3itt n ASP 293 N -2.93 2.79 -4.59 2.29 9.92 -1.26 -0.77 116.55 122.00 3itt n ASP 293 Ca 0.06 1.08 -0.46 0.00 -0.53 0.00 0.00 54.79 54.95 3itt n ASP 293 Cb 0.58 -1.37 -0.02 0.00 -0.64 0.00 0.00 41.12 39.67 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 3.45 -0.31 -0.50 2.24 0.00 -1.26 -1.57 120.51 122.55 3itt n ALA 294 Ca 0.18 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.03 3itt n ALA 294 Cb 0.26 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 1.59 0.57 0.23 0.00 0.00 -1.26 -4.76 105.19 101.55 3itt n GLY 295 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 1.07 0.00 4.61 0.00 -1.65 -3.28 119.26 120.01 3itt h ALA 296 Ca 0.00 -0.19 -0.26 0.00 0.00 0.00 0.00 54.91 54.46 3itt h ALA 296 Cb 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3itt h ALA 296 CO 0.00 0.27 -1.86 -0.89 0.00 0.00 0.00 179.25 176.77 3itt n ILE 297 N -3.45 0.85 -3.64 0.00 2.08 -1.26 -4.90 119.36 109.04 3itt n ILE 297 Ca -0.00 -0.22 -0.28 0.00 0.56 0.00 0.00 62.75 62.80 3itt n ILE 297 Cb 0.40 -1.65 -0.11 0.00 -0.75 0.00 0.00 39.64 37.52 3itt n ILE 297 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3itt s GLU 298 N -2.28 1.51 0.34 0.38 2.02 -1.26 -4.97 118.70 114.44 3itt s GLU 298 Ca -0.21 -2.49 0.05 0.00 0.02 0.00 0.00 54.97 52.33 3itt s GLU 298 Cb 0.08 -2.30 0.62 0.00 0.10 0.00 0.00 34.13 32.62 3itt s GLU 298 CO 0.28 -1.30 1.88 -1.00 0.02 0.00 0.00 175.26 175.14 3itt h PRO 299 N 5.83 0.51 -0.71 0.39 0.13 -1.91 -2.85 132.00 133.40 3itt h PRO 299 Ca 0.16 -0.11 -0.06 0.00 -0.87 0.00 0.00 66.00 65.12 3itt h PRO 299 Cb 0.86 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 31.89 3itt h PRO 299 CO 0.51 0.54 0.19 -0.92 -0.23 0.00 0.00 178.00 178.10 3itt h TYR 300 N 0.49 1.16 -0.63 1.56 3.20 -1.93 -2.14 116.97 118.68 3itt h TYR 300 Ca 0.11 -0.13 0.02 0.00 3.14 0.00 0.00 58.73 61.87 3itt h TYR 300 Cb 0.32 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 3itt h TYR 300 CO 0.01 0.93 0.40 -0.09 -1.64 0.00 0.00 178.16 177.77 3itt h ARG 301 N 1.07 0.78 -0.98 1.82 2.43 -1.93 -0.76 114.38 116.79 3itt h ARG 301 Ca 0.23 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3itt h ARG 301 Cb 0.34 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 3itt h ARG 301 CO -0.00 0.51 0.63 1.25 -1.51 0.00 0.00 179.97 180.85 3itt h LEU 302 N 0.80 1.15 -0.42 3.80 5.85 -1.38 -1.94 115.31 123.18 3itt h LEU 302 Ca 0.24 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 3itt h LEU 302 Cb -0.03 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 3itt h LEU 302 CO -0.08 0.85 0.09 0.15 -0.34 0.00 0.00 178.44 179.11 3itt h PHE 303 N 1.34 0.71 -0.24 1.25 3.57 -0.73 -2.41 116.94 120.42 3itt h PHE 303 Ca 0.36 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 3itt h PHE 303 Cb -0.12 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.40 3itt h PHE 303 CO 0.00 0.68 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.67 3itt h LEU 304 N 0.54 0.33 -0.41 0.59 3.38 -0.76 0.23 115.31 119.21 3itt h LEU 304 Ca 0.13 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3itt h LEU 304 Cb 0.33 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3itt h LEU 304 CO 0.00 0.41 -0.07 0.58 0.09 0.00 0.00 178.44 179.45 3itt h VAL 305 N 0.35 1.27 0.00 1.22 2.07 -1.19 -2.61 116.25 117.37 3itt h VAL 305 Ca 0.08 -1.15 -0.06 0.00 0.82 0.00 0.00 66.70 66.40 3itt h VAL 305 Cb 0.27 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3itt h VAL 305 CO 0.01 0.39 -0.26 -0.26 0.02 0.00 0.00 177.57 177.46 3itt h PHE 306 N 0.58 0.00 -0.28 1.57 0.04 -0.81 -2.20 116.94 115.84 3itt h PHE 306 Ca 0.11 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.83 3itt h PHE 306 Cb 0.58 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.72 3itt h PHE 306 CO 0.05 0.26 -0.04 -0.97 -0.60 0.00 0.00 178.31 177.01 3itt h ASN 307 N 0.00 0.41 -0.09 2.17 -1.24 -0.21 0.28 115.58 116.90 3itt h ASN 307 Ca -0.00 -0.08 -0.13 0.00 0.71 0.00 0.00 56.30 56.80 3itt h ASN 307 Cb 0.65 -0.11 0.01 0.00 0.73 0.00 0.00 38.32 39.60 3itt h ASN 307 CO 0.03 0.50 -0.45 -0.33 -1.29 0.00 0.00 177.43 175.90 3itt h GLU 308 N 0.42 0.46 -0.45 6.67 4.39 -1.22 -1.75 114.58 123.10 3itt h GLU 308 Ca 0.09 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.40 3itt h GLU 308 Cb 0.34 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 3itt h GLU 308 CO 0.01 1.01 0.24 -0.07 -1.16 0.00 0.00 179.01 179.05 3itt h LEU 309 N 0.03 0.57 -0.54 1.33 3.38 -1.05 -1.88 115.31 117.15 3itt h LEU 309 Ca -0.03 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 3itt h LEU 309 Cb 1.09 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 3itt h LEU 309 CO 0.09 0.50 0.04 0.58 0.09 0.00 0.00 178.44 179.74 3itt h VAL 310 N 0.60 1.26 -0.92 1.22 2.07 -0.51 0.21 116.25 120.17 3itt h VAL 310 Ca 0.16 -1.05 0.06 0.00 0.82 0.00 0.00 66.70 66.70 3itt h VAL 310 Cb 0.06 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 3itt h VAL 310 CO -0.02 0.38 0.58 -0.78 0.02 0.00 0.00 177.57 177.74 3itt h ASP 311 N 0.81 0.93 -0.14 0.57 3.58 -1.06 0.48 116.42 121.59 3itt h ASP 311 Ca 0.16 0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.52 3itt h ASP 311 Cb 0.48 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.35 3itt h ASP 311 CO 0.02 0.59 -0.30 0.00 -2.88 0.00 0.00 179.24 176.67 3itt h ALA 312 N 1.43 0.22 -0.10 -0.78 0.00 -1.06 -0.43 119.26 118.54 3itt h ALA 312 Ca 0.40 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3itt h ALA 312 Cb 0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3itt h ALA 312 CO -0.18 0.24 0.19 1.49 0.00 0.00 0.00 179.25 181.00 3itt h GLU 313 N 0.05 0.00 0.00 0.00 4.81 0.47 -2.91 114.58 117.00 3itt h GLU 313 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3itt h GLU 313 Cb 0.89 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 3itt h GLU 313 CO 0.07 0.00 -0.66 0.00 -0.73 0.00 0.00 179.01 177.68 3itt h ALA 314 N 1.71 0.07 0.00 2.92 0.00 0.27 -3.40 119.26 120.84 3itt h ALA 314 Ca 0.05 -0.66 -0.34 0.00 0.00 0.00 0.00 54.91 53.96 3itt h ALA 314 Cb 0.43 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3itt h ALA 314 CO -0.00 0.51 1.54 2.89 0.00 0.00 0.00 179.25 184.19 3itt n ARG 315 N -4.58 2.23 -1.61 0.00 1.85 -0.20 -4.81 116.66 109.53 3itt n ARG 315 Ca -0.14 -1.31 -0.01 0.00 -1.00 0.00 0.00 57.85 55.40 3itt n ARG 315 Cb 0.36 -2.26 0.00 0.00 -1.05 0.00 0.00 32.46 29.52 3itt n ARG 315 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3itt n GLY 316 N 3.15 -0.01 2.73 2.89 0.00 -1.24 -4.82 105.19 107.88 3itt n GLY 316 Ca 0.48 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 46.10 3itt n GLY 316 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3itt n VAL 317 N -0.21 5.35 0.00 1.61 0.31 -1.22 -4.89 118.33 119.28 3itt n VAL 317 Ca -0.00 -5.21 0.00 0.00 -0.01 0.00 0.00 64.34 59.12 3itt n VAL 317 Cb 0.01 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 30.96 3itt n VAL 317 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3itt n LYS 318 N 1.53 0.00 -2.66 5.55 5.02 -1.26 -1.45 118.16 124.89 3itt n LYS 318 Ca 0.45 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.30 3itt n LYS 318 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.30 3itt n LYS 318 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3itt n GLY 319 N -0.85 3.76 3.04 0.72 0.00 -1.26 -4.86 105.19 105.73 3itt n GLY 319 Ca 0.00 -1.96 -0.02 0.00 0.00 0.00 0.00 46.02 44.04 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 1.58 -1.27 -0.48 1.61 2.19 -0.53 -5.05 117.98 116.03 3itt s PHE 320 Ca 0.43 1.22 0.06 0.00 0.33 0.00 0.00 56.93 58.98 3itt s PHE 320 Cb 0.02 0.28 0.23 0.00 -1.31 0.00 0.00 43.02 42.25 3itt s PHE 320 CO 0.01 -0.84 0.80 0.72 1.83 0.00 0.00 175.22 177.74 3itt n HIS 321 N 5.40 -3.01 -1.77 10.12 8.25 -1.26 -5.02 115.22 127.93 3itt n HIS 321 Ca -0.02 -1.95 -0.38 0.00 -0.26 0.00 0.00 57.72 55.11 3itt n HIS 321 Cb 0.51 1.28 0.05 0.00 1.12 0.00 0.00 29.99 32.95 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 0.48 2.91 -0.41 -0.41 0.04 -1.26 -4.96 135.00 131.39 3itt s PRO 322 Ca 0.32 2.17 -0.24 0.00 0.04 0.00 0.00 61.00 63.29 3itt s PRO 322 Cb 0.18 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.64 3itt s PRO 322 CO -0.20 -1.35 0.82 0.00 0.04 0.00 0.00 177.00 176.31 3itt s ALA 323 N -1.34 3.35 -0.12 8.56 0.00 0.18 -4.88 121.76 127.51 3itt s ALA 323 Ca 0.76 -0.78 -0.17 0.00 0.00 0.00 0.00 51.96 51.77 3itt s ALA 323 Cb -0.39 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 3itt s ALA 323 CO 0.45 -1.74 0.44 -1.01 0.00 0.00 0.00 175.76 173.89 3itt s HIS 324 N 3.31 3.52 0.02 0.00 3.76 -1.26 -0.63 115.29 124.01 3itt s HIS 324 Ca 0.32 0.84 -0.05 0.00 -0.15 0.00 0.00 55.06 56.02 3itt s HIS 324 Cb -0.12 -2.49 -0.01 0.00 1.11 0.00 0.00 32.58 31.07 3itt s HIS 324 CO 0.21 0.22 0.09 -1.64 -0.85 0.00 0.00 174.74 172.77 3itt s MET 325 N 0.46 0.52 -0.26 1.40 -1.94 -0.42 -1.06 119.30 118.01 3itt s MET 325 Ca 0.24 -0.63 -0.11 0.00 -1.71 0.00 0.00 55.69 53.48 3itt s MET 325 Cb -0.15 0.20 -0.05 0.00 2.01 0.00 0.00 34.83 36.85 3itt s MET 325 CO 0.09 -0.12 0.20 0.42 -0.01 0.00 0.00 175.02 175.60 3itt s ILE 326 N -2.08 5.32 -0.57 2.53 1.01 0.04 0.01 121.20 127.45 3itt s ILE 326 Ca -0.09 0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.83 3itt s ILE 326 Cb -0.04 -3.54 0.15 0.00 0.01 0.00 0.00 42.46 39.04 3itt s ILE 326 CO -0.02 0.29 0.35 -0.62 0.00 0.00 0.00 174.94 174.94 3itt s ASP 327 N 1.38 4.26 0.27 3.58 -1.08 -0.55 -3.64 116.67 120.88 3itt s ASP 327 Ca 0.08 -3.29 0.04 0.00 -0.52 0.00 0.00 52.55 48.87 3itt s ASP 327 Cb -0.15 -1.49 -0.06 0.00 -1.46 0.00 0.00 42.92 39.77 3itt s ASP 327 CO 0.08 -0.18 0.00 -1.10 0.52 0.00 0.00 175.17 174.50 3itt s GLN 328 N -0.63 1.47 -0.03 4.34 -0.21 -1.26 -4.63 119.66 118.70 3itt s GLN 328 Ca 0.21 -1.77 0.02 0.00 0.02 0.00 0.00 55.36 53.84 3itt s GLN 328 Cb -0.16 -0.79 0.01 0.00 1.00 0.00 0.00 33.01 33.07 3itt s GLN 328 CO -0.07 -0.10 -0.07 0.15 -2.12 0.00 0.00 175.29 173.08 3itt s LYS 329 N -3.85 0.89 -0.33 2.91 3.01 -0.55 -4.63 119.74 117.20 3itt s LYS 329 Ca 0.31 -0.23 -0.01 0.00 -1.01 0.00 0.00 55.97 55.04 3itt s LYS 329 Cb 0.06 -0.85 0.07 0.00 -1.01 0.00 0.00 37.83 36.11 3itt s LYS 329 CO 0.11 0.04 0.04 -1.01 0.51 0.00 0.00 175.35 175.05 3itt s HIS 330 N 0.43 3.42 -0.12 3.18 3.76 -1.26 -4.61 115.29 120.08 3itt s HIS 330 Ca -0.06 -2.23 0.19 0.00 -0.15 0.00 0.00 55.06 52.81 3itt s HIS 330 Cb -0.10 -2.47 -0.22 0.00 1.11 0.00 0.00 32.58 30.90 3itt s HIS 330 CO 0.01 -0.88 0.54 0.09 -0.85 0.00 0.00 174.74 173.65 3itt n ASN 331 N 4.53 0.37 -0.42 1.40 3.02 -1.26 -0.59 115.26 122.31 3itt n ASN 331 Ca -0.08 0.16 0.05 0.00 -0.03 0.00 0.00 54.58 54.68 3itt n ASN 331 Cb 0.42 0.98 0.07 0.00 -0.61 0.00 0.00 39.78 40.64 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 -2.64 0.93 -4.09 2.41 0.24 -1.26 -4.71 118.33 109.21 3itt n VAL 332 Ca -0.13 -1.24 -0.10 0.00 -2.04 0.00 0.00 64.34 60.83 3itt n VAL 332 Cb 0.81 0.19 -0.08 0.00 -1.47 0.00 0.00 33.84 33.28 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 -1.40 0.04 -0.19 3.34 -4.23 -1.26 -5.10 115.64 106.83 3itt s THR 333 Ca 0.19 -1.72 -0.29 0.00 -1.18 0.00 0.00 61.69 58.69 3itt s THR 333 Cb 0.17 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.80 3itt s THR 333 CO -0.01 -0.17 1.56 -0.62 -0.54 0.00 0.00 174.62 174.84 3itt s ASP 334 N -3.06 6.51 0.34 3.99 -1.08 -1.26 -4.88 116.67 117.23 3itt s ASP 334 Ca 0.27 1.69 0.12 0.00 -0.52 0.00 0.00 52.55 54.11 3itt s ASP 334 Cb 0.05 -2.53 0.95 0.00 -1.46 0.00 0.00 42.92 39.92 3itt s ASP 334 CO 0.06 -1.13 1.73 -0.65 0.52 0.00 0.00 175.17 175.70 3itt h PRO 335 N 10.14 0.50 -0.41 4.34 0.11 -1.88 -1.15 132.00 143.66 3itt h PRO 335 Ca -0.33 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.69 3itt h PRO 335 Cb 1.15 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3itt h PRO 335 CO 0.99 0.33 0.02 0.82 -0.21 0.00 0.00 178.00 179.96 3itt h ILE 336 N 0.52 1.25 -0.49 4.15 2.04 -1.87 -1.34 117.51 121.77 3itt h ILE 336 Ca 0.65 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 3itt h ILE 336 Cb 1.34 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 3itt h ILE 336 CO -0.45 0.33 0.16 -0.33 0.00 0.00 0.00 178.15 177.85 3itt h GLU 337 N 0.54 0.76 -0.32 2.37 5.08 -1.63 -0.99 114.58 120.40 3itt h GLU 337 Ca 0.12 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3itt h GLU 337 Cb 0.44 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3itt h GLU 337 CO 0.02 0.71 0.11 0.77 -1.00 0.00 0.00 179.01 179.62 3itt h SER 338 N 0.66 0.45 -0.45 1.42 0.02 -1.32 -1.08 113.55 113.25 3itt h SER 338 Ca 0.16 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 3itt h SER 338 Cb 0.27 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3itt h SER 338 CO -0.01 0.52 0.22 -0.07 -1.14 0.00 0.00 176.83 176.35 3itt h LEU 339 N 0.36 0.62 0.38 5.07 3.38 -1.13 0.29 115.31 124.28 3itt h LEU 339 Ca 0.10 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3itt h LEU 339 Cb 0.22 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3itt h LEU 339 CO -0.01 0.55 -0.18 0.40 0.09 0.00 0.00 178.44 179.29 3itt h ILE 340 N 0.69 0.63 0.00 1.22 2.04 -0.81 -0.72 117.51 120.56 3itt h ILE 340 Ca 0.17 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 3itt h ILE 340 Cb 0.11 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3itt h ILE 340 CO -0.02 0.06 -0.21 0.78 0.00 0.00 0.00 178.15 178.75 3itt h ASN 341 N -0.67 0.00 -0.20 1.72 2.35 -0.88 -1.39 115.58 116.51 3itt h ASN 341 Ca -0.05 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.53 3itt h ASN 341 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3itt h ASN 341 CO 0.09 0.21 -0.53 0.28 -1.65 0.00 0.00 177.43 175.83 3itt h SER 342 N 0.00 0.82 -0.28 5.81 0.02 -0.24 0.24 113.55 119.92 3itt h SER 342 Ca -0.00 -0.57 -0.09 0.00 -0.84 0.00 0.00 61.79 60.29 3itt h SER 342 Cb 0.50 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 3itt h SER 342 CO 0.03 1.24 -0.12 0.00 -1.14 0.00 0.00 176.83 176.85 3itt h ALA 343 N 0.59 1.07 -0.23 3.77 0.00 -0.84 -1.69 119.26 121.94 3itt h ALA 343 Ca -0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3itt h ALA 343 Cb 1.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3itt h ALA 343 CO 0.11 0.57 0.04 -0.91 0.00 0.00 0.00 179.25 179.07 3itt h ASN 344 N 0.63 0.35 -0.51 0.00 -0.26 -1.09 -2.41 115.58 112.29 3itt h ASN 344 Ca 0.11 -0.25 0.01 0.00 -0.56 0.00 0.00 56.30 55.61 3itt h ASN 344 Cb 0.56 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.70 3itt h ASN 344 CO 0.04 0.52 0.34 -0.08 -1.06 0.00 0.00 177.43 177.18 3itt h GLU 345 N 0.18 0.66 -0.47 0.81 4.57 -0.67 -0.11 114.58 119.54 3itt h GLU 345 Ca 0.07 -0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 58.07 3itt h GLU 345 Cb 0.31 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3itt h GLU 345 CO 0.00 0.44 -0.24 0.82 -1.18 0.00 0.00 179.01 178.85 3itt h ILE 346 N 0.68 1.27 0.00 2.32 2.04 -1.11 -2.10 117.51 120.61 3itt h ILE 346 Ca 0.19 -1.41 -0.11 0.00 1.00 0.00 0.00 64.86 64.53 3itt h ILE 346 Cb -0.05 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3itt h ILE 346 CO -0.04 0.49 -0.51 0.03 0.00 0.00 0.00 178.15 178.11 3itt h ARG 347 N 0.85 0.00 -0.09 2.37 3.08 -0.88 -2.09 114.38 117.62 3itt h ARG 347 Ca 0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3itt h ARG 347 Cb 0.83 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 3itt h ARG 347 CO 0.07 0.51 0.03 -0.09 -1.07 0.00 0.00 179.97 179.43 3itt h ARG 348 N 0.00 0.14 -0.34 0.04 2.43 -0.71 0.94 114.38 116.88 3itt h ARG 348 Ca -0.01 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 3itt h ARG 348 Cb 0.94 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 3itt h ARG 348 CO 0.07 0.28 -0.14 0.00 -1.51 0.00 0.00 179.97 178.66 3itt h ALA 349 N 0.86 1.12 -0.15 2.80 0.00 -1.31 -1.36 119.26 121.21 3itt h ALA 349 Ca 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3itt h ALA 349 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3itt h ALA 349 CO -0.00 0.55 0.03 -0.92 0.00 0.00 0.00 179.25 178.91 3itt h TYR 350 N 0.55 0.26 -0.91 0.00 3.20 -1.15 -1.84 116.97 117.09 3itt h TYR 350 Ca 0.10 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3itt h TYR 350 Cb 0.56 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 3itt h TYR 350 CO 0.02 0.41 0.51 0.00 -1.64 0.00 0.00 178.16 177.47 3itt h ALA 351 N 0.82 1.19 -0.36 1.82 0.00 -0.57 -2.20 119.26 119.94 3itt h ALA 351 Ca 0.05 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3itt h ALA 351 Cb 0.29 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3itt h ALA 351 CO 0.00 0.67 -0.23 1.96 0.00 0.00 0.00 179.25 181.65 3itt h GLN 352 N 1.27 0.71 -0.19 0.00 4.20 -1.17 -2.63 115.11 117.31 3itt h GLN 352 Ca 0.32 -0.29 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 3itt h GLN 352 Cb 0.01 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3itt h GLN 352 CO -0.05 0.88 -0.10 0.00 -0.67 0.00 0.00 178.83 178.88 3itt h ALA 353 N 1.12 1.47 0.00 3.87 0.00 -0.88 -1.52 119.26 123.32 3itt h ALA 353 Ca 0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3itt h ALA 353 Cb 0.72 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3itt h ALA 353 CO 0.06 0.37 -0.17 -0.07 0.00 0.00 0.00 179.25 179.44 3itt h LEU 354 N 0.29 0.00 0.00 0.00 3.38 -1.04 -2.81 115.31 115.12 3itt h LEU 354 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3itt h LEU 354 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3itt h LEU 354 CO 0.02 0.17 0.00 0.18 0.09 0.00 0.00 178.44 178.90 3itt n LEU 355 N -3.38 0.00 -4.71 1.67 4.77 -0.58 -4.85 117.00 109.92 3itt n LEU 355 Ca -0.00 0.44 -0.42 0.00 -0.03 0.00 0.00 56.01 56.00 3itt n LEU 355 Cb 0.37 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3itt n LEU 355 CO 0.32 -0.03 1.17 -0.69 -1.33 0.00 0.00 177.39 176.83 3itt s VAL 356 N -2.88 3.03 -0.94 4.08 1.01 -1.06 -4.73 120.40 118.92 3itt s VAL 356 Ca 0.17 0.69 -0.24 0.00 0.00 0.00 0.00 61.98 62.60 3itt s VAL 356 Cb 0.18 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 33.15 3itt s VAL 356 CO 0.48 0.04 1.50 -0.62 0.00 0.00 0.00 175.10 176.49 3itt s ASP 357 N 1.38 6.22 0.23 3.32 -1.08 -1.26 -4.85 116.67 120.64 3itt s ASP 357 Ca 0.68 -1.10 -0.06 0.00 -0.52 0.00 0.00 52.55 51.56 3itt s ASP 357 Cb -0.39 -2.57 0.37 0.00 -1.46 0.00 0.00 42.92 38.87 3itt s ASP 357 CO 0.31 -1.76 1.79 0.03 0.52 0.00 0.00 175.17 176.06 3itt h ARG 358 N 10.22 0.67 -0.53 4.34 2.47 -1.95 -1.05 114.38 128.56 3itt h ARG 358 Ca 0.08 -0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 58.71 3itt h ARG 358 Cb 1.02 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 29.17 3itt h ARG 358 CO 1.37 0.45 0.15 0.00 0.56 0.00 0.00 179.97 182.49 3itt h ALA 359 N 1.44 0.69 -0.52 0.04 0.00 -2.00 -0.97 119.26 117.95 3itt h ALA 359 Ca 0.37 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3itt h ALA 359 Cb 0.37 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3itt h ALA 359 CO -0.26 0.37 0.24 0.00 0.00 0.00 0.00 179.25 179.60 3itt h ALA 360 N 1.02 0.67 -0.25 0.00 0.00 -1.83 -2.30 119.26 116.56 3itt h ALA 360 Ca 0.17 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3itt h ALA 360 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3itt h ALA 360 CO -0.00 0.25 0.15 1.25 0.00 0.00 0.00 179.25 180.90 3itt h LEU 361 N 0.70 0.30 -1.02 0.00 5.85 -0.99 -2.20 115.31 117.95 3itt h LEU 361 Ca 0.18 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.93 3itt h LEU 361 Cb 0.14 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 3itt h LEU 361 CO -0.02 0.26 0.65 -1.28 -0.34 0.00 0.00 178.44 177.70 3itt h SER 362 N 0.32 1.02 0.02 1.25 0.87 -1.03 0.31 113.55 116.30 3itt h SER 362 Ca 0.09 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3itt h SER 362 Cb 0.01 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 3itt h SER 362 CO -0.02 0.64 -0.01 1.23 -0.53 0.00 0.00 176.83 178.14 3itt h GLY 363 N 1.15 -0.03 1.57 5.77 0.00 -0.98 0.35 103.07 110.91 3itt h GLY 363 Ca 0.44 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.73 3itt h GLY 363 CO -0.19 -0.01 0.00 -0.97 0.00 0.00 0.00 176.54 175.38 3itt h TYR 364 N -0.12 0.55 -0.20 5.60 0.05 -0.91 0.15 116.97 122.08 3itt h TYR 364 Ca -0.00 -0.05 -0.03 0.00 0.05 0.00 0.00 58.73 58.69 3itt h TYR 364 Cb 0.12 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 3itt h TYR 364 CO -0.04 0.54 0.01 1.96 -1.05 0.00 0.00 178.16 179.57 3itt h GLN 365 N 0.51 0.35 -0.55 4.88 4.20 -0.72 0.21 115.11 123.99 3itt h GLN 365 Ca 0.11 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3itt h GLN 365 Cb 0.33 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 3itt h GLN 365 CO 0.01 0.54 0.16 0.93 -0.67 0.00 0.00 178.83 179.80 3itt h GLU 366 N 0.12 0.82 0.00 1.46 4.39 -0.46 -2.27 114.58 118.63 3itt h GLU 366 Ca 0.06 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3itt h GLU 366 Cb 0.38 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3itt h GLU 366 CO 0.01 0.72 0.00 -0.25 -1.16 0.00 0.00 179.01 178.32 3itt n ASP 367 N -4.29 0.13 -2.75 1.42 8.00 0.48 -4.91 116.55 114.62 3itt n ASP 367 Ca 0.04 0.51 -0.19 0.00 0.71 0.00 0.00 54.79 55.87 3itt n ASP 367 Cb 0.20 -0.55 0.05 0.00 -0.02 0.00 0.00 41.12 40.80 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 -1.62 -5.44 -4.30 -2.24 3.02 0.18 -4.91 115.26 99.95 3itt n ASN 368 Ca 0.07 -0.33 -0.44 0.00 -0.03 0.00 0.00 54.58 53.84 3itt n ASN 368 Cb 0.35 -4.16 0.00 0.00 -0.61 0.00 0.00 39.78 35.36 3itt n ASN 368 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3itt n ASP 369 N -1.94 5.47 -0.25 6.41 -0.08 0.48 -4.86 116.55 121.78 3itt n ASP 369 Ca -0.04 -3.07 0.03 0.00 -1.51 0.00 0.00 54.79 50.20 3itt n ASP 369 Cb 0.57 -1.45 0.16 0.00 2.34 0.00 0.00 41.12 42.74 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 6.59 1.02 -0.29 -1.67 0.00 -1.91 -0.89 119.26 122.11 3itt h ALA 370 Ca 0.26 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3itt h ALA 370 Cb 0.81 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3itt h ALA 370 CO 1.21 -0.12 0.16 1.25 0.00 0.00 0.00 179.25 181.75 3itt h LEU 371 N 0.54 0.36 -0.66 0.00 6.46 -1.97 -1.48 115.31 118.55 3itt h LEU 371 Ca 0.38 -0.09 -0.12 0.00 -0.12 0.00 0.00 57.88 57.93 3itt h LEU 371 Cb 0.48 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 3itt h LEU 371 CO -0.32 0.35 -0.56 0.24 -0.62 0.00 0.00 178.44 177.52 3itt h MET 372 N 0.35 0.00 -0.20 1.25 2.86 -1.90 -1.79 114.93 115.49 3itt h MET 372 Ca 0.10 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 3itt h MET 372 Cb 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3itt h MET 372 CO -0.02 0.56 -0.01 0.00 1.06 0.00 0.00 176.91 178.51 3itt h ALA 373 N 1.44 0.27 -0.25 6.32 0.00 -0.95 0.81 119.26 126.90 3itt h ALA 373 Ca -0.01 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 3itt h ALA 373 Cb 1.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3itt h ALA 373 CO 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 179.25 178.95 3itt h THR 374 N 0.11 1.29 -0.07 0.00 1.03 -1.23 -2.46 112.91 111.58 3itt h THR 374 Ca 0.06 -1.53 -0.07 0.00 -0.01 0.00 0.00 66.41 64.86 3itt h THR 374 Cb 0.42 1.51 -0.01 0.00 -1.07 0.00 0.00 68.15 69.00 3itt h THR 374 CO 0.01 0.48 -0.29 -0.08 -0.01 0.00 0.00 175.52 175.64 3itt h GLU 375 N 0.48 0.12 -0.72 0.00 4.57 -1.18 -1.36 114.58 116.49 3itt h GLU 375 Ca 0.05 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 3itt h GLU 375 Cb 0.87 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.42 3itt h GLU 375 CO 0.07 0.40 0.30 1.15 -1.18 0.00 0.00 179.01 179.75 3itt h THR 376 N 0.11 1.24 -0.19 0.32 2.02 -0.36 -0.84 112.91 115.21 3itt h THR 376 Ca 0.02 -0.76 -0.21 0.00 0.77 0.00 0.00 66.41 66.24 3itt h THR 376 Cb 0.57 0.37 0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3itt h THR 376 CO 0.04 0.31 -0.68 -0.07 0.37 0.00 0.00 175.52 175.49 3itt h LEU 377 N 1.05 0.93 -1.46 2.58 3.38 -1.26 -3.22 115.31 117.32 3itt h LEU 377 Ca 0.24 -0.60 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 3itt h LEU 377 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3itt h LEU 377 CO -0.02 1.37 -0.05 0.11 0.09 0.00 0.00 178.44 179.93 3itt h LYS 378 N 0.54 0.29 -0.41 1.13 1.79 -0.89 -0.67 116.57 118.34 3itt h LYS 378 Ca -0.03 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.36 3itt h LYS 378 Cb 1.31 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.89 3itt h LYS 378 CO 0.14 0.36 0.13 0.00 -1.08 0.00 0.00 179.45 179.00 3itt h ARG 379 N 0.28 0.59 0.01 3.15 3.08 -1.17 0.34 114.38 120.66 3itt h ARG 379 Ca 0.06 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3itt h ARG 379 Cb 0.28 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3itt h ARG 379 CO 0.01 0.52 -0.06 0.00 -1.07 0.00 0.00 179.97 179.38 3itt h ALA 380 N 1.56 0.00 -0.62 0.04 0.00 -1.45 -3.27 119.26 115.51 3itt h ALA 380 Ca 0.14 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3itt h ALA 380 Cb 0.18 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3itt h ALA 380 CO -0.01 -0.02 0.39 -0.92 0.00 0.00 0.00 179.25 178.68 3itt h TYR 381 N -0.82 0.80 0.00 0.00 3.20 -0.88 -2.33 116.97 116.94 3itt h TYR 381 Ca -0.01 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 3itt h TYR 381 Cb 0.93 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 3itt h TYR 381 CO 0.23 0.53 -0.02 0.00 -1.64 0.00 0.00 178.16 177.26 3itt h ARG 382 N 0.85 0.00 -6.44 1.82 3.08 -0.44 -3.44 114.38 109.80 3itt h ARG 382 Ca 0.23 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.74 3itt h ARG 382 Cb -0.05 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.02 3itt h ARG 382 CO -0.04 0.02 0.98 0.99 -1.07 0.00 0.00 179.97 180.85 3itt s THR 383 N -3.64 3.09 -0.72 2.04 2.01 -0.88 -4.93 115.64 112.61 3itt s THR 383 Ca 0.01 0.54 -0.27 0.00 0.31 0.00 0.00 61.69 62.29 3itt s THR 383 Cb 0.09 -3.35 0.03 0.00 0.01 0.00 0.00 72.50 69.28 3itt s THR 383 CO 0.56 -0.00 1.26 -0.62 -0.69 0.00 0.00 174.62 175.13 3itt s ASP 384 N 2.34 6.19 -0.01 3.53 -1.08 -1.26 -4.85 116.67 121.53 3itt s ASP 384 Ca 0.73 -0.41 0.13 0.00 -0.52 0.00 0.00 52.55 52.48 3itt s ASP 384 Cb -0.39 -2.55 0.39 0.00 -1.46 0.00 0.00 42.92 38.90 3itt s ASP 384 CO 0.32 -1.79 1.31 1.33 0.52 0.00 0.00 175.17 176.86 3itt n VAL 385 N 6.39 0.65 -0.35 1.11 0.24 -1.26 -4.42 118.33 120.70 3itt n VAL 385 Ca 0.03 -0.60 0.12 0.00 -2.04 0.00 0.00 64.34 61.86 3itt n VAL 385 Cb 0.49 0.25 0.31 0.00 -1.47 0.00 0.00 33.84 33.41 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 2.53 0.73 -0.73 7.34 4.57 -1.98 0.29 114.58 127.33 3itt h GLU 386 Ca 0.00 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.17 3itt h GLU 386 Cb 0.63 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.02 3itt h GLU 386 CO 0.02 0.48 0.48 -1.35 -1.18 0.00 0.00 179.01 177.46 3itt h PRO 387 N 0.75 0.84 -0.27 0.92 0.11 -1.92 0.24 132.00 132.67 3itt h PRO 387 Ca 0.56 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.54 3itt h PRO 387 Cb 0.86 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 3itt h PRO 387 CO -0.38 0.56 -0.16 0.82 -0.21 0.00 0.00 178.00 178.62 3itt h ILE 388 N 0.87 1.30 -0.40 4.15 2.04 -1.29 -0.74 117.51 123.44 3itt h ILE 388 Ca 0.29 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 3itt h ILE 388 Cb 0.08 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3itt h ILE 388 CO -0.09 0.40 0.21 -0.07 0.00 0.00 0.00 178.15 178.60 3itt h LEU 389 N 0.32 0.50 -0.44 1.44 4.07 -0.84 0.59 115.31 120.96 3itt h LEU 389 Ca 0.06 -0.10 -0.09 0.00 0.08 0.00 0.00 57.88 57.83 3itt h LEU 389 Cb 0.69 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 3itt h LEU 389 CO 0.05 0.46 -0.06 0.00 -1.08 0.00 0.00 178.44 177.81 3itt h ALA 390 N 1.06 0.60 -0.24 1.53 0.00 -0.95 -2.06 119.26 119.20 3itt h ALA 390 Ca 0.14 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 3itt h ALA 390 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3itt h ALA 390 CO -0.02 0.45 -0.33 1.49 0.00 0.00 0.00 179.25 180.84 3itt h GLU 391 N 0.65 0.51 -0.36 0.00 4.57 -1.03 -0.20 114.58 118.72 3itt h GLU 391 Ca 0.12 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 3itt h GLU 391 Cb 0.59 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 3itt h GLU 391 CO 0.04 0.78 0.16 0.00 -1.18 0.00 0.00 179.01 178.81 3itt h ALA 392 N 1.21 0.47 -0.25 2.92 0.00 -0.72 -2.06 119.26 120.82 3itt h ALA 392 Ca 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3itt h ALA 392 Cb 0.78 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3itt h ALA 392 CO 0.06 0.04 0.05 0.00 0.00 0.00 0.00 179.25 179.40 3itt h ARG 393 N 0.44 0.40 0.09 0.00 3.08 -1.16 -3.00 114.38 114.23 3itt h ARG 393 Ca 0.12 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 60.09 3itt h ARG 393 Cb 0.14 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 3itt h ARG 393 CO -0.01 0.52 -0.28 -0.09 -1.07 0.00 0.00 179.97 179.04 3itt h ARG 394 N 0.22 -0.46 0.00 0.04 2.43 -0.86 0.80 114.38 116.56 3itt h ARG 394 Ca 0.08 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3itt h ARG 394 Cb 0.31 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3itt h ARG 394 CO 0.00 -0.30 0.00 2.89 -1.51 0.00 0.00 179.97 181.05 3itt n ARG 395 N -5.39 0.78 -0.06 0.20 1.85 -0.79 -2.63 116.66 110.62 3itt n ARG 395 Ca -0.06 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.81 3itt n ARG 395 Cb 0.30 -1.39 0.05 0.00 -1.05 0.00 0.00 32.46 30.37 3itt n ARG 395 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3itt n THR 396 N -0.89 0.78 -0.15 8.89 -2.24 -0.86 -4.97 114.28 114.84 3itt n THR 396 Ca 0.15 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 3itt n THR 396 Cb 0.07 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 -0.01 0.80 0.00 3.38 0.00 -0.99 -5.00 105.19 103.37 3itt n GLY 397 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.09 1.31 3.68 -0.02 0.00 0.27 -4.81 105.19 103.53 3itt n GLY 398 Ca 0.00 -2.02 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 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 -2.41 3.27 0.15 4.61 0.00 -0.47 -4.19 121.76 122.71 3itt s ALA 399 Ca 0.00 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 50.85 3itt s ALA 399 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.78 3itt s ALA 399 CO 0.00 0.64 1.81 0.28 0.00 0.00 0.00 175.76 178.49 3itt h VAL 400 N 3.61 1.09 -3.18 0.00 2.07 -1.88 -3.31 116.25 114.64 3itt h VAL 400 Ca -0.49 -0.17 -0.63 0.00 0.82 0.00 0.00 66.70 66.23 3itt h VAL 400 Cb 1.18 0.55 -0.41 0.00 -1.52 0.00 0.00 31.29 31.09 3itt h VAL 400 CO 0.57 0.09 -0.67 -0.62 0.02 0.00 0.00 177.57 176.96 3itt s ASP 401 N -5.52 4.06 0.21 0.57 -1.08 -1.26 -4.68 116.67 108.96 3itt s ASP 401 Ca -0.13 -2.98 -0.16 0.00 -0.52 0.00 0.00 52.55 48.76 3itt s ASP 401 Cb 0.10 -1.39 0.21 0.00 -1.46 0.00 0.00 42.92 40.38 3itt s ASP 401 CO 0.72 -0.22 1.60 -0.65 0.52 0.00 0.00 175.17 177.13 3itt h PRO 402 N 6.43 -0.07 -0.51 4.34 0.11 -1.85 -0.75 132.00 139.70 3itt h PRO 402 Ca -0.02 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.97 3itt h PRO 402 Cb 0.89 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 3itt h PRO 402 CO 0.61 -0.05 -0.17 0.28 -0.21 0.00 0.00 178.00 178.47 3itt h VAL 403 N -0.07 1.27 -0.67 3.15 2.07 -1.95 0.89 116.25 120.94 3itt h VAL 403 Ca 0.29 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.49 3itt h VAL 403 Cb 0.53 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 3itt h VAL 403 CO -0.71 0.46 0.44 0.00 0.02 0.00 0.00 177.57 177.79 3itt h ALA 404 N 0.89 0.86 -0.46 1.67 0.00 -1.83 -0.38 119.26 120.01 3itt h ALA 404 Ca 0.12 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 3itt h ALA 404 Cb 0.74 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3itt h ALA 404 CO 0.06 0.27 -0.27 1.15 0.00 0.00 0.00 179.25 180.46 3itt h THR 405 N 0.90 1.27 -0.31 0.00 2.02 -0.98 -0.70 112.91 115.11 3itt h THR 405 Ca 0.25 -1.44 0.03 0.00 0.77 0.00 0.00 66.41 66.02 3itt h THR 405 Cb -0.09 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3itt h THR 405 CO -0.06 0.49 0.12 0.22 0.37 0.00 0.00 175.52 176.66 3itt h TYR 406 N 0.83 0.21 -0.22 3.16 3.20 -0.32 -0.19 116.97 123.64 3itt h TYR 406 Ca 0.10 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.86 3itt h TYR 406 Cb 0.86 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 3itt h TYR 406 CO 0.06 0.10 -0.38 0.00 -1.64 0.00 0.00 178.16 176.29 3itt h ARG 407 N 0.26 0.50 -0.80 1.82 3.08 -0.98 -2.94 114.38 115.33 3itt h ARG 407 Ca 0.13 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3itt h ARG 407 Cb 0.09 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 3itt h ARG 407 CO -0.13 0.81 0.37 0.00 -1.07 0.00 0.00 179.97 179.96 3itt h ALA 408 N 1.17 1.16 0.00 0.04 0.00 -0.51 -2.31 119.26 118.80 3itt h ALA 408 Ca 0.04 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3itt h ALA 408 Cb 0.86 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3itt h ALA 408 CO 0.07 0.64 -0.28 0.66 0.00 0.00 0.00 179.25 180.34 3itt h SER 409 N 1.14 0.00 -0.61 0.00 4.64 -0.88 -3.46 113.55 114.38 3itt h SER 409 Ca 0.27 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.47 3itt h SER 409 Cb 0.13 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 3itt h SER 409 CO -0.03 0.28 -0.14 0.61 -0.87 0.00 0.00 176.83 176.67 3itt n GLY 410 N -0.70 0.46 0.19 -0.77 0.00 -0.87 -4.94 105.19 98.57 3itt n GLY 410 Ca -0.02 -0.70 -0.03 0.00 0.00 0.00 0.00 46.02 45.27 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 0.17 -0.17 1.61 5.03 -1.84 -2.10 116.97 119.67 3itt h TYR 411 Ca -0.14 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.24 3itt h TYR 411 Cb 0.78 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 39.01 3itt h TYR 411 CO 0.17 0.01 -0.08 -0.09 -1.32 0.00 0.00 178.16 176.85 3itt h ARG 412 N 0.25 -0.06 -0.35 1.82 9.65 -1.92 -0.61 114.38 123.15 3itt h ARG 412 Ca 0.24 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.11 3itt h ARG 412 Cb 0.30 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.88 3itt h ARG 412 CO -0.30 -0.04 0.18 0.00 2.80 0.00 0.00 179.97 182.60 3itt h ALA 413 N 1.08 1.65 0.67 2.80 0.00 -1.92 -1.05 119.26 122.49 3itt h ALA 413 Ca 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3itt h ALA 413 Cb 0.20 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.85 3itt h ALA 413 CO -0.21 0.29 -0.32 -0.09 0.00 0.00 0.00 179.25 178.91 3itt h ARG 414 N 0.49 -0.87 -0.02 0.00 2.43 -0.49 -2.66 114.38 113.26 3itt h ARG 414 Ca 0.13 0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 3itt h ARG 414 Cb 0.04 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3itt h ARG 414 CO -0.02 -0.57 -0.29 -0.39 -1.51 0.00 0.00 179.97 177.19 3itt h VAL 415 N -0.95 1.22 -0.67 0.20 -1.51 -0.97 -2.59 116.25 110.98 3itt h VAL 415 Ca -0.09 -1.03 -0.00 0.00 -1.23 0.00 0.00 66.70 64.34 3itt h VAL 415 Cb 0.71 1.53 -0.03 0.00 -2.13 0.00 0.00 31.29 31.37 3itt h VAL 415 CO 0.15 0.30 0.40 0.00 -1.23 0.00 0.00 177.57 177.19 3itt h ALA 416 N 1.68 1.45 0.00 5.19 0.00 -1.08 0.15 119.26 126.64 3itt h ALA 416 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3itt h ALA 416 Cb 0.53 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3itt h ALA 416 CO 0.04 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.77 3itt n ALA 417 N -2.43 2.13 -0.05 0.00 0.00 -0.99 -3.38 120.51 115.79 3itt n ALA 417 Ca 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.51 3itt n ALA 417 Cb 0.07 -1.45 -0.16 0.00 0.00 0.00 0.00 19.45 17.91 3itt n ALA 417 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3itt n GLU 418 N -2.18 0.67 -4.04 0.00 1.02 -0.45 -5.00 120.64 110.66 3itt n GLU 418 Ca 0.05 -0.11 -0.22 0.00 -0.02 0.00 0.00 57.16 56.86 3itt n GLU 418 Cb 0.37 -1.52 -0.04 0.00 -0.02 0.00 0.00 31.44 30.23 3itt n GLU 418 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3itt s ARG 419 N -3.03 2.98 0.55 3.49 0.52 0.38 -5.09 118.95 118.76 3itt s ARG 419 Ca -0.09 -1.04 -0.21 0.00 -0.52 0.00 0.00 55.73 53.87 3itt s ARG 419 Cb 0.10 -2.61 -0.04 0.00 0.52 0.00 0.00 34.95 32.92 3itt s ARG 419 CO 0.87 0.36 1.30 -2.14 0.02 0.00 0.00 175.30 175.71 3itt s PRO 420 N -3.89 3.12 0.54 3.54 0.02 -1.26 -4.84 135.00 132.22 3itt s PRO 420 Ca 0.34 2.09 -0.19 0.00 0.02 0.00 0.00 61.00 63.27 3itt s PRO 420 Cb -0.08 -2.18 -0.06 0.00 0.02 0.00 0.00 34.50 32.20 3itt s PRO 420 CO 0.26 -1.16 1.09 0.00 -0.33 0.00 0.00 177.00 176.86 3itt s ALA 421 N -1.39 2.74 0.43 -1.55 0.00 -1.26 -4.59 121.76 116.14 3itt s ALA 421 Ca 0.73 0.71 0.08 0.00 0.00 0.00 0.00 51.96 53.48 3itt s ALA 421 Cb -0.37 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.44 3itt s ALA 421 CO 0.43 -0.66 0.50 -1.54 0.00 0.00 0.00 175.76 174.49 3itt s SER 422 N -1.95 5.37 -0.01 0.00 1.04 -1.26 -5.07 113.70 111.82 3itt s SER 422 Ca 0.70 -0.59 0.01 0.00 0.48 0.00 0.00 55.95 56.55 3itt s SER 422 Cb -0.21 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.36 3itt s SER 422 CO 0.26 -0.76 -0.03 0.68 0.98 0.00 0.00 173.24 174.38 3itt s VAL 423 N -2.42 0.29 0.59 5.02 -7.23 -1.26 -5.07 120.40 110.31 3itt s VAL 423 Ca 0.52 -0.11 -0.17 0.00 -1.81 0.00 0.00 61.98 60.41 3itt s VAL 423 Cb -0.07 -0.28 -0.03 0.00 0.56 0.00 0.00 36.38 36.56 3itt s VAL 423 CO 0.31 0.11 1.10 0.00 -0.31 0.00 0.00 175.10 176.30 3itt s ALA 424 N 0.19 2.64 0.00 1.32 0.00 -1.26 -4.78 121.76 119.87 3itt s ALA 424 Ca -0.02 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.55 3itt s ALA 424 Cb -0.05 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3itt s ALA 424 CO -0.00 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.25 3itt n GLY 425 N -0.38 3.02 0.00 0.00 0.00 -1.13 -5.04 105.19 101.65 3itt n GLY 425 Ca 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.88 2.39 -0.02 0.00 -1.26 -2.48 105.19 101.94 3itt n GLY 426 Ca 0.00 -1.47 -0.21 0.00 0.00 0.00 0.00 46.02 44.34 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 3.07 -3.60 0.00 -0.02 0.00 -1.22 -2.97 105.19 100.44 3itt n GLY 427 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.89 3.44 0.00 -0.02 0.00 -0.89 -4.82 105.19 99.00 3itt n GLY 428 Ca 0.10 -1.39 0.13 0.00 0.00 0.00 0.00 46.02 44.86 3itt n GLY 428 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61