#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jty h LEU 3 N 0.00 0.00 0.08 1.20 5.85 -1.99 1.92 115.31 122.38 1jty h LEU 3 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1jty h LEU 3 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1jty h LEU 3 CO 0.00 0.00 -0.04 0.50 -0.34 0.00 0.00 178.44 178.56 1jty h LYS 4 N 0.00 -0.11 -0.92 1.25 3.64 -1.99 -2.34 116.57 116.11 1jty h LYS 4 Ca 0.08 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1jty h LYS 4 Cb 1.14 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.92 1jty h LYS 4 CO -0.00 0.44 0.59 -0.44 -2.27 0.00 0.00 179.45 177.77 1jty h ASP 5 N -0.85 0.95 -0.65 4.20 3.32 0.20 0.55 116.42 124.13 1jty h ASP 5 Ca -0.01 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.09 1jty h ASP 5 Cb 0.60 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.90 1jty h ASP 5 CO 0.02 0.62 0.38 0.50 -1.72 0.00 0.00 179.24 179.04 1jty h LYS 6 N 1.09 0.70 0.14 3.56 1.63 0.15 0.88 116.57 124.71 1jty h LYS 6 Ca 0.39 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.14 1jty h LYS 6 Cb 0.11 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 1jty h LYS 6 CO -0.15 0.46 -0.07 0.82 -3.45 0.00 0.00 179.45 177.06 1jty h ILE 7 N 0.72 0.91 -0.70 2.00 2.04 -0.50 0.50 117.51 122.48 1jty h ILE 7 Ca 0.28 -0.17 0.09 0.00 1.00 0.00 0.00 64.86 66.06 1jty h ILE 7 Cb 0.11 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 1jty h ILE 7 CO -0.15 0.04 0.46 -0.07 0.00 0.00 0.00 178.15 178.44 1jty h LEU 8 N -0.26 0.52 0.04 1.44 3.38 -0.29 0.36 115.31 120.50 1jty h LEU 8 Ca -0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jty h LEU 8 Cb 0.21 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1jty h LEU 8 CO 0.03 0.32 -0.02 1.23 0.09 0.00 0.00 178.44 180.09 1jty h GLY 9 N 0.58 -0.06 0.84 0.83 0.00 0.14 -2.31 103.07 103.10 1jty h GLY 9 Ca 0.32 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 1jty h GLY 9 CO -0.11 -0.02 0.01 -2.08 0.00 0.00 0.00 176.54 174.34 1jty h VAL 10 N -0.56 1.25 -0.31 4.60 2.07 -0.59 -3.18 116.25 119.53 1jty h VAL 10 Ca -0.01 -0.84 0.07 0.00 0.82 0.00 0.00 66.70 66.74 1jty h VAL 10 Cb 0.51 1.37 -0.08 0.00 -1.52 0.00 0.00 31.29 31.57 1jty h VAL 10 CO 0.01 0.26 -0.28 0.00 0.02 0.00 0.00 177.57 177.58 1jty h ALA 11 N 0.81 -0.16 -0.04 1.67 0.00 -0.37 -1.13 119.26 120.04 1jty h ALA 11 Ca 0.06 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1jty h ALA 11 Cb 0.37 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1jty h ALA 11 CO 0.01 -0.70 -0.27 -0.22 0.00 0.00 0.00 179.25 178.07 1jty h LYS 12 N -0.26 -0.38 -0.87 0.00 3.64 -1.44 -0.62 116.57 116.65 1jty h LYS 12 Ca 0.15 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1jty h LYS 12 Cb 0.50 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 1jty h LYS 12 CO -0.46 -0.25 0.49 1.05 -2.27 0.00 0.00 179.45 178.02 1jty h GLU 13 N -0.39 1.19 -0.45 1.90 4.11 -1.48 0.35 114.58 119.82 1jty h GLU 13 Ca 0.07 -0.13 0.03 0.00 0.07 0.00 0.00 59.36 59.40 1jty h GLU 13 Cb 0.50 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1jty h GLU 13 CO -0.26 0.86 0.25 -0.07 0.07 0.00 0.00 179.01 179.85 1jty h LEU 14 N 1.21 0.39 -0.67 3.06 3.38 -0.70 1.13 115.31 123.09 1jty h LEU 14 Ca 0.31 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.23 1jty h LEU 14 Cb -0.00 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1jty h LEU 14 CO -0.05 0.28 0.18 -0.26 0.09 0.00 0.00 178.44 178.67 1jty h PHE 15 N 0.50 1.11 -0.13 1.13 0.05 -0.36 0.20 116.94 119.45 1jty h PHE 15 Ca 0.18 -0.13 -0.10 0.00 3.82 0.00 0.00 57.97 61.75 1jty h PHE 15 Cb 0.05 -0.32 -0.01 0.00 2.00 0.00 0.00 35.95 37.67 1jty h PHE 15 CO -0.08 0.91 -0.36 0.82 -0.18 0.00 0.00 178.31 179.42 1jty h ILE 16 N 1.00 1.29 0.00 -0.55 2.04 0.60 0.47 117.51 122.35 1jty h ILE 16 Ca 0.21 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.67 1jty h ILE 16 Cb 0.34 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1jty h ILE 16 CO -0.00 0.42 -0.62 0.50 0.00 0.00 0.00 178.15 178.45 1jty h LYS 17 N 0.23 0.00 0.00 2.37 3.11 0.17 -3.41 116.57 119.04 1jty h LYS 17 Ca 0.03 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 1jty h LYS 17 Cb 0.74 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.97 1jty h LYS 17 CO 0.06 0.00 -0.24 0.09 -2.81 0.00 0.00 179.45 176.55 1jty n ASN 18 N -2.56 0.00 -0.01 4.20 3.02 0.68 -5.05 115.26 115.54 1jty n ASN 18 Ca 0.02 -1.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.10 1jty n ASN 18 Cb 0.50 -0.10 -0.00 0.00 -0.61 0.00 0.00 39.78 39.58 1jty n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jty n GLY 19 N 0.00 -2.21 0.10 7.41 0.00 0.16 -4.05 105.19 106.61 1jty n GLY 19 Ca 0.00 -1.50 -0.19 0.00 0.00 0.00 0.00 46.02 44.33 1jty n GLY 19 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1jty h TYR 20 N -0.01 0.26 0.14 1.61 3.20 -1.77 -3.35 116.97 117.05 1jty h TYR 20 Ca 0.00 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 61.67 1jty h TYR 20 Cb 0.01 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1jty h TYR 20 CO 0.00 1.36 -0.07 -0.91 -1.64 0.00 0.00 178.16 176.90 1jty h ASN 21 N -0.63 -0.15 0.86 -2.11 4.21 -1.92 -3.20 115.58 112.64 1jty h ASN 21 Ca -0.21 -0.04 -0.02 0.00 1.21 0.00 0.00 56.30 57.25 1jty h ASN 21 Cb 1.46 0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 38.70 1jty h ASN 21 CO 0.01 -0.07 -0.10 0.00 -1.29 0.00 0.00 177.43 175.98 1jty h ALA 22 N 0.63 1.04 -2.08 -0.83 0.00 -1.78 -3.43 119.26 112.81 1jty h ALA 22 Ca -0.02 -0.09 -0.56 0.00 0.00 0.00 0.00 54.91 54.24 1jty h ALA 22 Cb 0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1jty h ALA 22 CO 0.03 0.12 0.99 0.99 0.00 0.00 0.00 179.25 181.38 1jty s THR 23 N -3.75 4.03 0.15 0.00 2.01 -1.21 -5.02 115.64 111.86 1jty s THR 23 Ca 0.00 1.21 0.01 0.00 0.31 0.00 0.00 61.69 63.22 1jty s THR 23 Cb 0.10 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1jty s THR 23 CO 0.58 -0.26 0.31 0.42 -0.69 0.00 0.00 174.62 174.98 1jty s THR 24 N 4.18 5.29 0.35 -0.82 -4.23 -1.26 -5.00 115.64 114.14 1jty s THR 24 Ca 0.61 -0.52 0.14 0.00 -1.18 0.00 0.00 61.69 60.73 1jty s THR 24 Cb -0.22 -3.72 0.09 0.00 1.34 0.00 0.00 72.50 69.99 1jty s THR 24 CO 0.22 -0.08 1.81 0.71 -0.54 0.00 0.00 174.62 176.74 1jty h THR 25 N 1.68 1.21 -0.72 3.99 1.35 -1.99 -2.35 112.91 116.08 1jty h THR 25 Ca -0.48 -1.35 0.03 0.00 -0.55 0.00 0.00 66.41 64.07 1jty h THR 25 Cb 1.19 1.74 -0.05 0.00 -1.73 0.00 0.00 68.15 69.30 1jty h THR 25 CO 0.70 0.38 0.45 1.23 -0.25 0.00 0.00 175.52 178.02 1jty h GLY 26 N 1.27 1.04 0.97 5.82 0.00 -1.98 0.47 103.07 110.65 1jty h GLY 26 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1jty h GLY 26 CO 0.05 0.27 -0.12 0.83 0.00 0.00 0.00 176.54 177.57 1jty h GLU 27 N 0.86 -0.32 -0.97 4.80 5.08 -1.86 0.14 114.58 122.31 1jty h GLU 27 Ca 0.29 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.82 1jty h GLU 27 Cb 0.04 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.27 1jty h GLU 27 CO -0.12 -0.18 0.59 0.82 -1.00 0.00 0.00 179.01 179.11 1jty h ILE 28 N -0.37 0.81 -0.14 3.13 2.04 -0.76 -0.53 117.51 121.69 1jty h ILE 28 Ca -0.03 -0.29 -0.21 0.00 1.00 0.00 0.00 64.86 65.32 1jty h ILE 28 Cb 0.28 -0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1jty h ILE 28 CO 0.06 0.15 -0.76 0.58 0.00 0.00 0.00 178.15 178.18 1jty h VAL 29 N 0.85 1.30 0.62 1.67 2.07 0.17 -2.17 116.25 120.76 1jty h VAL 29 Ca 0.52 -2.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.00 1jty h VAL 29 Cb 0.65 2.00 0.01 0.00 -1.52 0.00 0.00 31.29 32.43 1jty h VAL 29 CO -0.32 0.63 -0.30 0.50 0.02 0.00 0.00 177.57 178.10 1jty h LYS 30 N 0.48 -0.80 0.00 1.57 3.11 -0.08 0.28 116.57 121.13 1jty h LYS 30 Ca -0.04 0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1jty h LYS 30 Cb 1.37 0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.78 1jty h LYS 30 CO 0.15 -0.53 0.00 -0.07 -2.81 0.00 0.00 179.45 176.19 1jty h LEU 31 N -1.13 0.00 0.00 5.20 3.38 -1.27 0.21 115.31 121.70 1jty h LEU 31 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1jty h LEU 31 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1jty h LEU 31 CO 0.14 0.00 -0.73 -1.54 0.09 0.00 0.00 178.44 176.40 1jty n SER 32 N -2.83 0.67 -3.49 -0.43 3.41 -0.81 -4.96 113.62 105.17 1jty n SER 32 Ca -0.01 -0.46 -0.19 0.00 -0.26 0.00 0.00 58.87 57.95 1jty n SER 32 Cb 0.16 0.56 0.08 0.00 -0.26 0.00 0.00 64.21 64.75 1jty n SER 32 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jty n GLU 33 N -1.58 -6.95 0.00 4.33 1.02 0.74 -4.85 120.64 113.35 1jty n GLU 33 Ca 0.04 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 58.02 1jty n GLU 33 Cb 0.35 -5.85 0.00 0.00 -0.02 0.00 0.00 31.44 25.92 1jty n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jty n SER 34 N -3.09 1.11 -4.02 1.62 2.88 0.81 -5.02 113.62 107.91 1jty n SER 34 Ca -0.20 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.16 1jty n SER 34 Cb 0.64 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.95 1jty n SER 34 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1jty s SER 35 N 1.00 0.98 0.45 -3.46 1.04 -1.26 -4.72 113.70 107.73 1jty s SER 35 Ca 0.00 -0.20 0.23 0.00 0.48 0.00 0.00 55.95 56.47 1jty s SER 35 Cb 0.00 -0.09 1.23 0.00 0.10 0.00 0.00 66.02 67.26 1jty s SER 35 CO 0.00 0.07 1.81 0.11 0.98 0.00 0.00 173.24 176.22 1jty h LYS 36 N 5.77 0.26 0.47 4.02 1.57 -1.94 0.77 116.57 127.49 1jty h LYS 36 Ca -0.31 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 1jty h LYS 36 Cb 1.18 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1jty h LYS 36 CO 0.49 0.17 -0.24 0.78 -0.57 0.00 0.00 179.45 180.08 1jty h GLY 37 N 0.27 -0.73 0.92 3.86 0.00 -1.98 0.93 103.07 106.34 1jty h GLY 37 Ca 0.54 0.28 0.13 0.00 0.00 0.00 0.00 47.33 48.28 1jty h GLY 37 CO -0.18 -0.26 0.42 -0.57 0.00 0.00 0.00 176.54 175.95 1jty h ASN 38 N -0.65 0.24 0.46 0.19 -0.73 -1.31 -0.56 115.58 113.22 1jty h ASN 38 Ca -0.06 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.09 1jty h ASN 38 Cb 0.50 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.06 1jty h ASN 38 CO 0.10 0.13 -0.22 0.25 -0.37 0.00 0.00 177.43 177.32 1jty h LEU 39 N 0.26 -0.53 -1.01 0.34 7.12 0.88 -2.53 115.31 119.85 1jty h LEU 39 Ca 0.29 0.02 0.31 0.00 0.13 0.00 0.00 57.88 58.63 1jty h LEU 39 Cb 0.79 0.14 -0.14 0.00 -0.53 0.00 0.00 40.66 40.91 1jty h LEU 39 CO -0.06 -0.28 0.58 0.22 -0.13 0.00 0.00 178.44 178.76 1jty h TYR 40 N -0.81 0.95 -0.78 1.25 3.20 0.14 0.59 116.97 121.51 1jty h TYR 40 Ca -0.06 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1jty h TYR 40 Cb 0.48 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 1jty h TYR 40 CO 0.06 -0.13 0.46 -0.92 -1.64 0.00 0.00 178.16 175.98 1jty h TYR 41 N 0.37 1.03 0.04 -3.82 3.20 -1.07 0.21 116.97 116.93 1jty h TYR 41 Ca 0.72 -0.01 -0.26 0.00 3.14 0.00 0.00 58.73 62.33 1jty h TYR 41 Cb 1.60 -0.34 0.02 0.00 1.54 0.00 0.00 36.73 39.56 1jty h TYR 41 CO -0.01 0.70 -1.03 0.45 -1.64 0.00 0.00 178.16 176.63 1jty h HIS 42 N 1.06 0.95 0.00 -3.82 3.86 0.57 -3.41 115.15 114.36 1jty h HIS 42 Ca 0.28 -0.55 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 1jty h HIS 42 Cb -0.02 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.35 1jty h HIS 42 CO -0.01 1.39 -0.77 1.19 0.86 0.00 0.00 177.93 180.59 1jty n PHE 43 N -3.91 0.00 0.00 2.45 3.01 -0.37 -5.02 117.46 113.62 1jty n PHE 43 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 1jty n PHE 43 Cb 0.88 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.35 1jty n PHE 43 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1jty n LYS 44 N -1.16 0.00 -3.62 -1.08 5.02 0.74 -4.53 118.16 113.53 1jty n LYS 44 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1jty n LYS 44 Cb 0.00 -0.84 -0.03 0.00 -0.02 0.00 0.00 35.03 34.14 1jty n LYS 44 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1jty s THR 45 N -0.03 0.03 0.04 -0.18 -4.23 -1.26 -4.92 115.64 105.08 1jty s THR 45 Ca 0.00 -0.49 -0.27 0.00 -1.18 0.00 0.00 61.69 59.75 1jty s THR 45 Cb 0.00 -1.32 -0.17 0.00 1.34 0.00 0.00 72.50 72.35 1jty s THR 45 CO 0.00 -0.12 1.43 0.50 -0.54 0.00 0.00 174.62 175.90 1jty h LYS 46 N 2.16 -0.44 -0.85 3.99 3.64 -1.99 0.10 116.57 123.18 1jty h LYS 46 Ca -0.31 0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.31 1jty h LYS 46 Cb 1.28 0.10 -0.15 0.00 -0.41 0.00 0.00 32.23 33.05 1jty h LYS 46 CO 0.39 -0.18 0.03 0.93 -2.27 0.00 0.00 179.45 178.35 1jty h GLU 47 N -0.65 0.08 -0.36 1.90 3.07 -1.96 0.28 114.58 116.94 1jty h GLU 47 Ca -0.05 -0.01 -0.17 0.00 -0.50 0.00 0.00 59.36 58.64 1jty h GLU 47 Cb 0.46 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1jty h GLU 47 CO 0.08 0.06 -0.43 -0.97 -1.40 0.00 0.00 179.01 176.34 1jty h ASN 48 N 0.09 0.99 -0.08 1.42 -1.24 -1.79 -2.76 115.58 112.21 1jty h ASN 48 Ca 0.48 -0.47 0.01 0.00 0.71 0.00 0.00 56.30 57.03 1jty h ASN 48 Cb 0.91 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.67 1jty h ASN 48 CO -0.75 1.28 0.02 0.25 -1.29 0.00 0.00 177.43 176.93 1jty h LEU 49 N 0.74 0.01 -0.26 0.34 6.46 0.15 -2.37 115.31 120.39 1jty h LEU 49 Ca 0.05 0.01 0.06 0.00 -0.12 0.00 0.00 57.88 57.88 1jty h LEU 49 Cb 1.03 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.91 1jty h LEU 49 CO 0.10 0.02 -0.09 0.15 -0.62 0.00 0.00 178.44 178.00 1jty h PHE 50 N 0.06 -0.21 -0.66 1.25 3.04 -0.91 -2.12 116.94 117.39 1jty h PHE 50 Ca 0.04 0.03 0.14 0.00 3.98 0.00 0.00 57.97 62.15 1jty h PHE 50 Cb 0.02 0.13 -0.10 0.00 2.56 0.00 0.00 35.95 38.56 1jty h PHE 50 CO -0.10 -0.15 0.09 -0.07 -2.02 0.00 0.00 178.31 176.06 1jty h LEU 51 N -0.04 -0.12 -0.89 0.59 3.38 -1.18 0.36 115.31 117.41 1jty h LEU 51 Ca 0.13 0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 1jty h LEU 51 Cb 0.24 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1jty h LEU 51 CO -0.29 -0.06 0.36 -0.08 0.09 0.00 0.00 178.44 178.46 1jty h GLU 52 N 0.20 1.16 -0.50 1.13 4.81 -0.89 0.13 114.58 120.62 1jty h GLU 52 Ca 0.36 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1jty h GLU 52 Cb 0.59 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1jty h GLU 52 CO -0.50 0.91 0.11 0.82 -0.73 0.00 0.00 179.01 179.62 1jty h ILE 53 N 1.14 1.24 -0.84 2.32 2.04 -0.50 0.01 117.51 122.94 1jty h ILE 53 Ca 0.27 -0.87 0.12 0.00 1.00 0.00 0.00 64.86 65.38 1jty h ILE 53 Cb 0.15 0.84 -0.08 0.00 -0.74 0.00 0.00 36.82 36.99 1jty h ILE 53 CO -0.03 0.31 0.46 0.25 0.00 0.00 0.00 178.15 179.14 1jty h LEU 54 N 0.70 0.61 -0.27 1.44 5.85 0.59 0.10 115.31 124.33 1jty h LEU 54 Ca 0.16 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 1jty h LEU 54 Cb 0.35 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1jty h LEU 54 CO 0.00 0.31 -0.19 0.78 -0.34 0.00 0.00 178.44 179.01 1jty h ASN 55 N 0.71 0.64 -0.68 1.25 -0.26 -0.15 -1.06 115.58 116.04 1jty h ASN 55 Ca 0.43 -0.44 0.04 0.00 -0.56 0.00 0.00 56.30 55.78 1jty h ASN 55 Cb 0.50 -0.18 -0.04 0.00 -1.06 0.00 0.00 38.32 37.54 1jty h ASN 55 CO -0.30 0.94 0.45 0.40 -1.06 0.00 0.00 177.43 177.86 1jty h ILE 56 N 0.34 1.07 -0.09 2.81 2.04 -0.02 -1.33 117.51 122.34 1jty h ILE 56 Ca 0.05 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 1jty h ILE 56 Cb 0.72 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1jty h ILE 56 CO 0.05 0.14 -0.08 -0.33 0.00 0.00 0.00 178.15 177.94 1jty h GLU 57 N 0.77 0.22 -0.78 2.37 4.39 -0.64 -2.47 114.58 118.43 1jty h GLU 57 Ca 0.28 -0.11 0.16 0.00 0.34 0.00 0.00 59.36 60.03 1jty h GLU 57 Cb 0.14 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.73 1jty h GLU 57 CO -0.08 0.62 0.52 1.49 -1.16 0.00 0.00 179.01 180.40 1jty h GLU 58 N -0.18 0.40 -0.01 2.33 4.57 -0.44 0.27 114.58 121.51 1jty h GLU 58 Ca 0.02 -0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 1jty h GLU 58 Cb 0.57 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 1jty h GLU 58 CO 0.02 0.26 -0.72 0.77 -1.18 0.00 0.00 179.01 178.16 1jty h SER 59 N 0.41 0.11 -0.22 1.04 0.02 -1.13 -1.64 113.55 112.14 1jty h SER 59 Ca 0.39 -0.08 -0.18 0.00 -0.84 0.00 0.00 61.79 61.08 1jty h SER 59 Cb 0.91 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.41 1jty h SER 59 CO -0.13 0.79 -0.56 0.11 -1.14 0.00 0.00 176.83 175.90 1jty h LYS 60 N 0.06 0.82 0.61 3.45 1.57 -0.14 -2.43 116.57 120.52 1jty h LYS 60 Ca -0.01 -0.53 -0.02 0.00 -1.87 0.00 0.00 60.65 58.21 1jty h LYS 60 Cb 1.27 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 1jty h LYS 60 CO 0.10 1.16 -0.45 2.35 -0.57 0.00 0.00 179.45 182.04 1jty h TRP 61 N 0.62 -1.20 -1.26 -1.35 -0.00 -0.50 -0.90 115.95 111.36 1jty h TRP 61 Ca 0.01 -0.00 0.40 0.00 -0.00 0.00 0.00 58.89 59.30 1jty h TRP 61 Cb 1.16 0.44 -0.12 0.00 -0.00 0.00 0.00 29.16 30.64 1jty h TRP 61 CO 0.07 -0.64 0.81 1.96 -0.00 0.00 0.00 178.44 180.63 1jty h GLN 62 N -1.02 0.14 0.07 2.65 1.08 -1.27 0.10 115.11 116.86 1jty h GLN 62 Ca -0.08 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1jty h GLN 62 Cb 0.85 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.25 1jty h GLN 62 CO 0.03 0.09 -0.03 0.93 -0.95 0.00 0.00 178.83 178.90 1jty h GLU 63 N 0.14 -0.08 -0.91 1.46 4.39 -0.68 -1.83 114.58 117.07 1jty h GLU 63 Ca 0.78 0.01 0.17 0.00 0.34 0.00 0.00 59.36 60.65 1jty h GLU 63 Cb 2.36 0.02 -0.17 0.00 -0.10 0.00 0.00 28.75 30.86 1jty h GLU 63 CO -0.41 -0.06 -0.29 1.96 -1.16 0.00 0.00 179.01 179.06 1jty h GLN 64 N -0.09 -0.02 -0.80 2.33 4.20 -0.23 0.64 115.11 121.14 1jty h GLN 64 Ca -0.01 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.84 1jty h GLN 64 Cb 0.07 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.79 1jty h GLN 64 CO 0.01 -0.01 0.53 2.35 -0.67 0.00 0.00 178.83 181.04 1jty h TRP 65 N -0.02 0.64 0.00 2.96 -0.00 -1.19 0.83 115.95 119.18 1jty h TRP 65 Ca 0.40 0.02 -0.09 0.00 -0.00 0.00 0.00 58.89 59.21 1jty h TRP 65 Cb 0.64 -0.20 -0.01 0.00 -0.00 0.00 0.00 29.16 29.59 1jty h TRP 65 CO -0.75 0.25 -0.44 -0.22 -0.00 0.00 0.00 178.44 177.27 1jty h LYS 66 N 0.55 0.00 0.00 2.65 3.64 0.12 -2.63 116.57 120.90 1jty h LYS 66 Ca 0.39 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.59 1jty h LYS 66 Cb 0.74 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 1jty h LYS 66 CO -0.15 0.44 -1.31 1.63 -2.27 0.00 0.00 179.45 177.79 1jty n LYS 67 N -3.65 0.53 0.00 1.90 5.02 -0.11 -4.29 118.16 117.57 1jty n LYS 67 Ca -0.01 0.43 0.01 0.00 -2.02 0.00 0.00 58.31 56.72 1jty n LYS 67 Cb 0.53 -1.62 0.08 0.00 -0.02 0.00 0.00 35.03 34.00 1jty n LYS 67 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1jty n GLU 68 N -4.45 0.07 0.00 1.97 4.07 0.27 -2.64 120.64 119.94 1jty n GLU 68 Ca -0.27 0.06 0.12 0.00 -0.06 0.00 0.00 57.16 57.00 1jty n GLU 68 Cb 0.59 -1.50 0.08 0.00 -0.06 0.00 0.00 31.44 30.55 1jty n GLU 68 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jty n GLN 69 N -1.07 1.46 0.07 5.31 10.64 -0.99 -4.05 117.38 128.75 1jty n GLN 69 Ca 0.02 -1.17 0.11 0.00 -1.83 0.00 0.00 57.00 54.13 1jty n GLN 69 Cb 0.01 -1.48 0.45 0.00 -0.86 0.00 0.00 30.24 28.36 1jty n GLN 69 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 1jty n ILE 70 N 0.25 0.68 2.00 -0.39 -5.35 -1.08 -1.72 119.36 113.75 1jty n ILE 70 Ca 0.11 0.09 0.12 0.00 -0.27 0.00 0.00 62.75 62.80 1jty n ILE 70 Cb 0.48 -0.88 0.72 0.00 -1.74 0.00 0.00 39.64 38.22 1jty n ILE 70 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1jty n LYS 71 N -1.91 1.00 -3.82 6.28 5.02 -1.26 -4.47 118.16 119.00 1jty n LYS 71 Ca 0.04 -0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 56.02 1jty n LYS 71 Cb 0.27 -1.38 -0.15 0.00 -0.02 0.00 0.00 35.03 33.76 1jty n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jty s ALA 72 N -2.00 2.11 0.06 7.82 0.00 -0.70 -5.03 121.76 124.03 1jty s ALA 72 Ca 0.36 -2.15 -0.30 0.00 0.00 0.00 0.00 51.96 49.88 1jty s ALA 72 Cb 0.17 -1.79 -0.16 0.00 0.00 0.00 0.00 23.12 21.34 1jty s ALA 72 CO 0.28 -1.75 1.46 -0.22 0.00 0.00 0.00 175.76 175.52 1jty h LYS 73 N 7.66 -0.93 -6.56 0.00 3.64 -1.83 -3.43 116.57 115.12 1jty h LYS 73 Ca -0.09 0.06 -0.50 0.00 -1.27 0.00 0.00 60.65 58.86 1jty h LYS 73 Cb 1.00 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1jty h LYS 73 CO 0.50 -0.62 -0.12 0.95 -2.27 0.00 0.00 179.45 177.88 1jty s THR 74 N -5.37 5.04 0.42 1.00 -4.23 -1.26 -4.97 115.64 106.26 1jty s THR 74 Ca -0.15 -0.09 0.09 0.00 -1.18 0.00 0.00 61.69 60.36 1jty s THR 74 Cb 0.03 -3.79 0.29 0.00 1.34 0.00 0.00 72.50 70.36 1jty s THR 74 CO 0.49 -0.47 2.02 0.78 -0.54 0.00 0.00 174.62 176.90 1jty h ASN 75 N 1.18 0.45 0.36 3.99 2.35 -1.90 0.24 115.58 122.26 1jty h ASN 75 Ca -0.48 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.23 1jty h ASN 75 Cb 1.20 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 39.47 1jty h ASN 75 CO 0.64 0.30 -0.15 -0.09 -1.65 0.00 0.00 177.43 176.48 1jty h ARG 76 N 0.52 0.00 0.06 0.81 2.43 -1.94 -1.86 114.38 114.40 1jty h ARG 76 Ca 0.21 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 59.08 1jty h ARG 76 Cb 0.18 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 1jty h ARG 76 CO -0.05 0.15 -1.61 0.93 -1.51 0.00 0.00 179.97 177.88 1jty h GLU 77 N 0.00 0.13 -0.53 0.20 5.08 -0.96 -3.22 114.58 115.28 1jty h GLU 77 Ca -0.00 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 1jty h GLU 77 Cb 0.38 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1jty h GLU 77 CO 0.02 0.89 0.06 0.87 -1.00 0.00 0.00 179.01 179.84 1jty h LYS 78 N 0.04 0.90 -0.88 2.33 1.57 -0.71 0.35 116.57 120.16 1jty h LYS 78 Ca -0.26 -0.26 0.05 0.00 -1.87 0.00 0.00 60.65 58.31 1jty h LYS 78 Cb 1.99 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 34.15 1jty h LYS 78 CO 0.12 0.89 0.58 0.35 -0.57 0.00 0.00 179.45 180.81 1jty h PHE 79 N 0.78 1.03 -0.15 -1.35 3.57 -1.47 1.41 116.94 120.75 1jty h PHE 79 Ca 0.16 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 1jty h PHE 79 Cb 0.45 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 1jty h PHE 79 CO 0.03 0.57 -0.24 1.88 -2.23 0.00 0.00 178.31 178.32 1jty h TYR 80 N 1.04 0.54 -0.02 0.41 0.05 -1.43 -2.91 116.97 114.66 1jty h TYR 80 Ca 0.37 -0.19 -0.00 0.00 0.05 0.00 0.00 58.73 58.96 1jty h TYR 80 Cb 0.13 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 37.76 1jty h TYR 80 CO -0.00 0.87 -0.01 1.25 -1.05 0.00 0.00 178.16 179.23 1jty h LEU 81 N 0.06 0.03 -0.60 3.88 5.85 0.84 -2.72 115.31 122.66 1jty h LEU 81 Ca 0.01 -0.38 0.07 0.00 0.84 0.00 0.00 57.88 58.42 1jty h LEU 81 Cb 0.82 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.78 1jty h LEU 81 CO 0.06 0.41 0.27 0.22 -0.34 0.00 0.00 178.44 179.05 1jty h TYR 82 N -0.34 0.48 -0.37 1.25 3.20 0.18 0.98 116.97 122.35 1jty h TYR 82 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1jty h TYR 82 Cb 0.40 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1jty h TYR 82 CO 0.06 0.18 0.23 -0.91 -1.64 0.00 0.00 178.16 176.08 1jty h ASN 83 N 0.49 0.44 -0.03 -2.11 -0.26 -1.51 -1.36 115.58 111.23 1jty h ASN 83 Ca 0.29 -0.03 -0.00 0.00 -0.56 0.00 0.00 56.30 55.99 1jty h ASN 83 Cb 0.28 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 37.43 1jty h ASN 83 CO -0.24 0.34 0.01 -0.33 -1.06 0.00 0.00 177.43 176.15 1jty h GLU 84 N 0.49 0.04 -0.77 0.81 5.08 -1.10 -2.74 114.58 116.39 1jty h GLU 84 Ca 0.13 -0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.66 1jty h GLU 84 Cb -0.02 -0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.10 1jty h GLU 84 CO -0.03 0.17 0.16 1.25 -1.00 0.00 0.00 179.01 179.57 1jty h LEU 85 N -0.10 -0.04 -0.60 1.33 5.85 -0.55 -0.29 115.31 120.91 1jty h LEU 85 Ca 0.01 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1jty h LEU 85 Cb 0.14 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1jty h LEU 85 CO -0.00 -0.08 0.32 0.28 -0.34 0.00 0.00 178.44 178.62 1jty h SER 86 N 0.23 0.76 0.28 1.25 0.02 -1.04 -1.48 113.55 113.57 1jty h SER 86 Ca 0.44 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 1jty h SER 86 Cb 0.79 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1jty h SER 86 CO -0.56 0.65 -0.13 0.25 -1.14 0.00 0.00 176.83 175.89 1jty h LEU 87 N 0.81 -0.32 0.16 5.07 5.85 -0.79 -2.42 115.31 123.68 1jty h LEU 87 Ca 0.21 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1jty h LEU 87 Cb 0.06 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1jty h LEU 87 CO -0.03 -0.11 -0.08 0.71 -0.34 0.00 0.00 178.44 178.59 1jty h THR 88 N -0.52 0.86 -0.98 1.05 1.35 -1.28 -2.41 112.91 110.98 1jty h THR 88 Ca -0.04 -0.11 0.01 0.00 -0.55 0.00 0.00 66.41 65.72 1jty h THR 88 Cb 0.38 0.94 -0.05 0.00 -1.73 0.00 0.00 68.15 67.69 1jty h THR 88 CO 0.06 0.03 0.65 0.71 -0.25 0.00 0.00 175.52 176.72 1jty h THR 89 N -0.28 1.25 0.00 6.82 1.35 -1.34 -0.61 112.91 120.11 1jty h THR 89 Ca -0.02 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1jty h THR 89 Cb 0.21 -0.20 0.00 0.00 -1.73 0.00 0.00 68.15 66.44 1jty h THR 89 CO 0.04 0.24 0.00 1.21 -0.25 0.00 0.00 175.52 176.76 1jty n GLU 90 N -4.39 0.21 -0.09 4.72 2.13 -0.91 -1.61 120.64 120.70 1jty n GLU 90 Ca 0.12 0.12 -0.14 0.00 0.66 0.00 0.00 57.16 57.91 1jty n GLU 90 Cb 0.02 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.19 1jty n GLU 90 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 1jty h TYR 91 N 0.00 1.11 0.00 4.31 3.20 -0.58 -3.31 116.97 121.70 1jty h TYR 91 Ca 0.00 -0.38 -0.00 0.00 3.14 0.00 0.00 58.73 61.49 1jty h TYR 91 Cb 0.21 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1jty h TYR 91 CO 0.00 1.21 -0.19 2.48 -1.64 0.00 0.00 178.16 180.02 1jty n TYR 92 N -4.03 0.00 -2.06 -3.82 0.18 -1.08 -5.03 117.16 101.31 1jty n TYR 92 Ca -0.04 -1.11 -0.42 0.00 1.88 0.00 0.00 57.90 58.21 1jty n TYR 92 Cb 0.60 -0.18 -0.03 0.00 -0.38 0.00 0.00 39.34 39.35 1jty n TYR 92 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 1jty s TYR 93 N -2.83 2.41 0.06 -3.48 6.14 -0.64 -4.93 117.35 114.09 1jty s TYR 93 Ca 0.33 0.45 -0.36 0.00 0.64 0.00 0.00 57.07 58.12 1jty s TYR 93 Cb 0.30 -3.84 -0.19 0.00 0.42 0.00 0.00 41.96 38.64 1jty s TYR 93 CO -0.01 -3.37 1.55 -1.35 0.64 0.00 0.00 175.55 173.01 1jty h PRO 94 N 8.60 -1.20 0.00 4.97 0.11 -1.95 -3.05 132.00 139.47 1jty h PRO 94 Ca -0.39 0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1jty h PRO 94 Cb 1.18 0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.57 1jty h PRO 94 CO 0.93 -0.80 0.00 -0.07 -0.21 0.00 0.00 178.00 177.85 1jty h LEU 95 N -1.25 0.00 -0.84 2.35 3.38 -1.91 -3.29 115.31 113.75 1jty h LEU 95 Ca -0.12 0.00 0.35 0.00 0.09 0.00 0.00 57.88 58.20 1jty h LEU 95 Cb 0.98 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.58 1jty h LEU 95 CO 0.16 0.00 0.43 1.67 0.09 0.00 0.00 178.44 180.79 1jty n GLN 96 N -2.37 -0.05 0.10 1.13 -0.06 -1.15 0.72 117.38 115.69 1jty n GLN 96 Ca -0.02 1.16 -0.02 0.00 -2.00 0.00 0.00 57.00 56.13 1jty n GLN 96 Cb 0.04 -2.07 -0.04 0.00 -4.06 0.00 0.00 30.24 24.11 1jty n GLN 96 CO 0.00 0.00 0.00 -0.97 -0.20 0.00 0.00 177.06 175.89 1jty h ASN 97 N 0.00 0.00 -0.26 1.69 -0.73 -1.82 -2.95 115.58 111.51 1jty h ASN 97 Ca 0.70 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 58.70 1jty h ASN 97 Cb 1.85 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 40.43 1jty h ASN 97 CO -0.65 0.71 -0.51 0.00 -0.37 0.00 0.00 177.43 176.60 1jty h ALA 98 N 1.29 0.53 0.35 1.57 0.00 0.04 -2.98 119.26 120.06 1jty h ALA 98 Ca -0.02 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1jty h ALA 98 Cb 1.56 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1jty h ALA 98 CO 0.09 0.68 -0.17 0.82 0.00 0.00 0.00 179.25 180.67 1jty h ILE 99 N 0.66 0.66 -0.65 0.00 2.04 -1.17 -2.37 117.51 116.67 1jty h ILE 99 Ca 0.02 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.94 1jty h ILE 99 Cb 1.11 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 37.79 1jty h ILE 99 CO 0.11 0.00 0.31 0.40 0.00 0.00 0.00 178.15 178.98 1jty h ILE 100 N -0.48 0.85 -0.66 -0.67 2.04 -1.58 -0.82 117.51 116.19 1jty h ILE 100 Ca -0.05 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.68 1jty h ILE 100 Cb 0.37 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 1jty h ILE 100 CO 0.08 0.10 0.37 -0.33 0.00 0.00 0.00 178.15 178.37 1jty h GLU 101 N 0.55 0.66 0.16 2.37 5.08 -1.39 -2.13 114.58 119.88 1jty h GLU 101 Ca 0.32 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1jty h GLU 101 Cb 0.32 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1jty h GLU 101 CO -0.25 0.44 -0.08 0.35 -1.00 0.00 0.00 179.01 178.47 1jty h PHE 102 N 0.68 -0.19 -0.03 4.33 3.04 -0.70 0.46 116.94 124.52 1jty h PHE 102 Ca 0.30 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.25 1jty h PHE 102 Cb 0.18 0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.75 1jty h PHE 102 CO -0.08 0.00 0.04 1.88 -2.02 0.00 0.00 178.31 178.13 1jty h TYR 103 N -0.36 0.00 0.00 0.41 -1.99 -0.99 0.31 116.97 114.35 1jty h TYR 103 Ca -0.02 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.67 1jty h TYR 103 Cb 0.28 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.01 1jty h TYR 103 CO -0.02 0.00 -1.20 0.25 -0.00 0.00 0.00 178.16 177.19 1jty n THR 104 N -3.80 0.71 1.44 -2.88 -2.24 -0.82 -3.13 114.28 103.55 1jty n THR 104 Ca -0.02 -0.58 0.14 0.00 -2.27 0.00 0.00 64.05 61.32 1jty n THR 104 Cb 0.12 -0.40 0.58 0.00 -2.10 0.00 0.00 70.33 68.53 1jty n THR 104 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1jty n GLU 105 N -2.69 0.91 -2.71 -0.78 0.00 0.16 -4.27 120.64 111.26 1jty n GLU 105 Ca -0.03 -0.39 -0.03 0.00 0.00 0.00 0.00 57.16 56.71 1jty n GLU 105 Cb 0.62 -1.49 0.10 0.00 0.00 0.00 0.00 31.44 30.67 1jty n GLU 105 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1jty n TYR 106 N -0.70 -1.11 0.00 4.31 4.01 0.17 -5.01 117.16 118.83 1jty n TYR 106 Ca 0.16 -1.95 0.00 0.00 -0.16 0.00 0.00 57.90 55.95 1jty n TYR 106 Cb 0.29 1.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.32 1jty n TYR 106 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1jty n TYR 107 N -1.03 0.00 0.15 -0.72 9.36 -1.18 -3.79 117.16 119.94 1jty n TYR 107 Ca -0.07 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.34 1jty n TYR 107 Cb 0.85 0.00 0.78 0.00 -0.63 0.00 0.00 39.34 40.34 1jty n TYR 107 CO 0.00 0.00 0.00 1.57 0.22 0.00 0.00 176.86 178.65 1jty h LYS 108 N 0.00 0.00 -5.69 2.98 5.09 -1.95 -3.43 116.57 113.57 1jty h LYS 108 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 60.65 60.16 1jty h LYS 108 Cb 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.31 1jty h LYS 108 CO 0.00 0.00 1.55 2.41 -2.09 0.00 0.00 179.45 181.32 1jty n THR 109 N -3.64 0.08 0.12 0.07 -1.04 -1.25 -4.84 114.28 103.79 1jty n THR 109 Ca 0.05 -0.36 -0.13 0.00 -2.04 0.00 0.00 64.05 61.57 1jty n THR 109 Cb 0.52 -1.75 -0.06 0.00 -1.82 0.00 0.00 70.33 67.21 1jty n THR 109 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1jty h ASN 110 N 14.32 -0.70 0.10 8.00 -1.07 -1.91 -3.14 115.58 131.18 1jty h ASN 110 Ca -0.22 0.08 0.01 0.00 0.07 0.00 0.00 56.30 56.23 1jty h ASN 110 Cb 1.30 0.26 -0.03 0.00 -2.07 0.00 0.00 38.32 37.78 1jty h ASN 110 CO 1.13 -0.34 -0.38 -1.28 0.07 0.00 0.00 177.43 176.62 1jty h SER 111 N -0.47 -1.14 0.00 6.14 0.87 -1.98 0.19 113.55 117.16 1jty h SER 111 Ca 0.02 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1jty h SER 111 Cb 0.48 0.42 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1jty h SER 111 CO -0.13 -0.41 0.07 -0.38 -0.53 0.00 0.00 176.83 175.45 1jty n ILE 112 N -4.62 1.06 1.14 2.23 5.41 -1.24 -0.43 119.36 122.91 1jty n ILE 112 Ca -0.06 0.34 0.13 0.00 1.00 0.00 0.00 62.75 64.15 1jty n ILE 112 Cb 0.30 -1.34 0.22 0.00 -0.71 0.00 0.00 39.64 38.11 1jty n ILE 112 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1jty n ASN 113 N -1.23 2.57 -0.02 4.38 5.15 0.05 -2.52 115.26 123.65 1jty n ASN 113 Ca 0.00 -1.86 -0.12 0.00 -0.60 0.00 0.00 54.58 52.00 1jty n ASN 113 Cb 0.07 -0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.22 1jty n ASN 113 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1jty h GLU 114 N 4.04 -0.05 0.14 1.20 4.22 -0.71 -3.05 114.58 120.38 1jty h GLU 114 Ca 0.00 0.00 -0.23 0.00 0.08 0.00 0.00 59.36 59.21 1jty h GLU 114 Cb 0.86 0.01 0.03 0.00 0.50 0.00 0.00 28.75 30.14 1jty h GLU 114 CO 0.00 0.59 -1.00 1.57 -2.18 0.00 0.00 179.01 177.98 1jty h LYS 115 N -0.76 0.43 -0.84 1.92 -0.00 -1.75 -3.20 116.57 112.38 1jty h LYS 115 Ca -0.01 -0.65 0.22 0.00 -0.00 0.00 0.00 60.65 60.21 1jty h LYS 115 Cb 0.66 0.23 -0.16 0.00 -0.00 0.00 0.00 32.23 32.96 1jty h LYS 115 CO 0.01 1.29 -0.02 -1.33 -0.00 0.00 0.00 179.45 179.40 1jty n MET 116 N -3.99 -0.07 0.01 0.07 2.81 -1.05 -0.79 117.12 114.12 1jty n MET 116 Ca -0.14 1.27 -0.18 0.00 -1.81 0.00 0.00 57.70 56.84 1jty n MET 116 Cb 0.89 -1.99 -0.12 0.00 -0.71 0.00 0.00 33.22 31.29 1jty n MET 116 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 1jty h ASN 117 N 0.00 0.42 -0.86 7.83 -1.24 -1.62 -2.84 115.58 117.27 1jty h ASN 117 Ca 0.49 -0.84 0.14 0.00 0.71 0.00 0.00 56.30 56.80 1jty h ASN 117 Cb 0.97 -0.13 -0.07 0.00 0.73 0.00 0.00 38.32 39.82 1jty h ASN 117 CO -0.80 1.21 0.56 0.11 -1.29 0.00 0.00 177.43 177.22 1jty h LYS 118 N -0.32 0.62 0.22 6.67 1.79 -0.95 0.73 116.57 125.33 1jty h LYS 118 Ca -0.08 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 1jty h LYS 118 Cb 1.34 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1jty h LYS 118 CO 0.11 0.41 -0.11 1.25 -1.08 0.00 0.00 179.45 180.03 1jty h LEU 119 N 0.64 -0.25 -0.70 2.94 5.85 -1.24 -2.34 115.31 120.21 1jty h LEU 119 Ca 0.43 -0.27 0.15 0.00 0.84 0.00 0.00 57.88 59.02 1jty h LEU 119 Cb 0.72 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.72 1jty h LEU 119 CO -0.18 0.20 0.16 -0.08 -0.34 0.00 0.00 178.44 178.20 1jty h GLU 120 N -0.77 0.26 -0.71 1.25 4.57 -1.08 0.65 114.58 118.75 1jty h GLU 120 Ca -0.03 -0.02 0.19 0.00 -1.18 0.00 0.00 59.36 58.32 1jty h GLU 120 Cb 0.51 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 1jty h GLU 120 CO 0.05 0.17 0.50 -0.97 -1.18 0.00 0.00 179.01 177.58 1jty h ASN 121 N 0.27 0.09 -0.45 1.04 -1.24 0.65 -0.75 115.58 115.20 1jty h ASN 121 Ca 0.39 0.01 -0.05 0.00 0.71 0.00 0.00 56.30 57.35 1jty h ASN 121 Cb 0.63 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.65 1jty h ASN 121 CO -0.48 0.04 0.09 0.11 -1.29 0.00 0.00 177.43 175.91 1jty h LYS 122 N 0.09 0.80 -0.17 6.67 1.57 0.87 -2.60 116.57 123.79 1jty h LYS 122 Ca 0.34 -0.17 -0.16 0.00 -1.87 0.00 0.00 60.65 58.79 1jty h LYS 122 Cb 1.22 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1jty h LYS 122 CO -0.04 0.74 -0.55 1.88 -0.57 0.00 0.00 179.45 180.92 1jty h TYR 123 N 0.76 0.64 0.00 -1.35 0.05 -1.08 -2.97 116.97 113.02 1jty h TYR 123 Ca 0.16 -0.23 -0.04 0.00 0.05 0.00 0.00 58.73 58.68 1jty h TYR 123 Cb 0.33 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 1jty h TYR 123 CO 0.02 0.94 -0.20 0.82 -1.05 0.00 0.00 178.16 178.69 1jty h ILE 124 N 0.40 0.84 -0.36 -2.88 2.04 -1.37 -3.10 117.51 113.08 1jty h ILE 124 Ca 0.01 -0.79 0.03 0.00 1.00 0.00 0.00 64.86 65.11 1jty h ILE 124 Cb 1.08 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 1jty h ILE 124 CO 0.10 0.20 0.18 0.44 0.00 0.00 0.00 178.15 179.07 1jty h ASP 125 N 0.00 0.26 -0.73 1.72 3.45 -1.30 -2.13 116.42 117.69 1jty h ASP 125 Ca -0.00 0.02 0.15 0.00 0.43 0.00 0.00 57.03 57.63 1jty h ASP 125 Cb 0.45 -0.03 -0.13 0.00 -0.56 0.00 0.00 39.33 39.05 1jty h ASP 125 CO 0.03 0.19 -0.12 0.00 -1.57 0.00 0.00 179.24 177.77 1jty h ALA 126 N 1.19 0.58 -0.04 3.45 0.00 -1.67 0.37 119.26 123.15 1jty h ALA 126 Ca 0.15 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1jty h ALA 126 Cb 0.06 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1jty h ALA 126 CO -0.11 -0.42 0.01 1.88 0.00 0.00 0.00 179.25 180.61 1jty h TYR 127 N 0.03 0.06 -0.60 0.00 0.05 -1.67 -1.51 116.97 113.33 1jty h TYR 127 Ca 0.37 -0.01 0.12 0.00 0.05 0.00 0.00 58.73 59.26 1jty h TYR 127 Cb 0.59 -0.02 -0.11 0.00 1.01 0.00 0.00 36.73 38.21 1jty h TYR 127 CO -0.52 0.24 -0.09 1.25 -1.05 0.00 0.00 178.16 177.99 1jty h HIS 128 N -0.14 -0.22 -0.32 4.88 2.76 -0.41 0.18 115.15 121.88 1jty h HIS 128 Ca 0.01 0.05 0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1jty h HIS 128 Cb 0.21 0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.33 1jty h HIS 128 CO -0.00 -0.23 0.14 0.28 -1.30 0.00 0.00 177.93 176.82 1jty h VAL 129 N 0.04 0.96 -0.18 5.26 2.07 -0.05 -1.30 116.25 123.05 1jty h VAL 129 Ca 0.30 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.74 1jty h VAL 129 Cb 0.47 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1jty h VAL 129 CO -0.58 0.06 0.03 0.40 0.02 0.00 0.00 177.57 177.49 1jty h ILE 130 N 0.31 0.90 -0.62 4.57 2.04 0.08 -1.57 117.51 123.21 1jty h ILE 130 Ca 0.14 -0.03 -0.09 0.00 1.00 0.00 0.00 64.86 65.87 1jty h ILE 130 Cb 0.07 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1jty h ILE 130 CO -0.11 0.02 0.03 -0.26 0.00 0.00 0.00 178.15 177.82 1jty h PHE 131 N 0.10 1.16 -0.05 1.37 0.04 -0.56 -0.68 116.94 118.32 1jty h PHE 131 Ca 0.08 -0.19 -0.00 0.00 2.80 0.00 0.00 57.97 60.66 1jty h PHE 131 Cb 0.09 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 37.93 1jty h PHE 131 CO -0.15 1.01 0.01 -0.22 -0.60 0.00 0.00 178.31 178.36 1jty h LYS 132 N 0.98 0.08 -0.74 1.51 3.64 -1.10 -1.10 116.57 119.84 1jty h LYS 132 Ca 0.18 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.60 1jty h LYS 132 Cb 0.53 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 1jty h LYS 132 CO 0.03 0.28 0.48 0.93 -2.27 0.00 0.00 179.45 178.90 1jty h GLU 133 N -0.13 0.78 -0.02 1.90 4.39 -1.19 0.43 114.58 120.74 1jty h GLU 133 Ca 0.02 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 1jty h GLU 133 Cb 0.24 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1jty h GLU 133 CO 0.00 0.52 -0.24 0.78 -1.16 0.00 0.00 179.01 178.90 1jty h GLY 134 N 0.81 0.03 0.52 -3.84 0.00 -0.79 -1.88 103.07 97.92 1jty h GLY 134 Ca 0.31 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 1jty h GLY 134 CO -0.10 0.02 -0.25 3.43 0.00 0.00 0.00 176.54 179.64 1jty h ASN 135 N 0.03 -0.59 -0.85 0.19 -0.26 0.11 0.49 115.58 114.69 1jty h ASN 135 Ca 0.00 0.02 0.23 0.00 -0.56 0.00 0.00 56.30 56.00 1jty h ASN 135 Cb 0.45 0.15 -0.04 0.00 -1.06 0.00 0.00 38.32 37.82 1jty h ASN 135 CO 0.03 -0.24 0.60 -0.07 -1.06 0.00 0.00 177.43 176.70 1jty h LEU 136 N -1.08 0.10 0.00 1.61 4.07 -0.98 0.15 115.31 119.18 1jty h LEU 136 Ca -0.07 0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.82 1jty h LEU 136 Cb 0.54 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 1jty h LEU 136 CO 0.12 0.04 -1.00 0.78 -1.08 0.00 0.00 178.44 177.29 1jty h ASN 137 N 0.09 0.00 -0.30 -0.43 4.21 -1.35 -3.48 115.58 114.32 1jty h ASN 137 Ca 0.41 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.92 1jty h ASN 137 Cb 1.50 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.70 1jty h ASN 137 CO -0.05 0.30 0.00 0.61 -1.29 0.00 0.00 177.43 177.01 1jty n GLY 138 N 1.26 0.84 0.15 2.83 0.00 0.53 -4.92 105.19 105.89 1jty n GLY 138 Ca -0.03 -0.61 0.04 0.00 0.00 0.00 0.00 46.02 45.42 1jty n GLY 138 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jty h GLU 139 N 0.00 0.00 0.00 1.61 5.08 -0.36 -3.47 114.58 117.43 1jty h GLU 139 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jty h GLU 139 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1jty h GLU 139 CO 0.00 0.42 0.00 -2.67 -1.00 0.00 0.00 179.01 175.76 1jty n TRP 140 N -3.22 -0.76 -3.51 4.33 2.14 -1.19 -4.80 117.44 110.42 1jty n TRP 140 Ca 0.02 0.00 -0.20 0.00 2.07 0.00 0.00 57.50 59.39 1jty n TRP 140 Cb 0.69 0.00 -0.14 0.00 -0.81 0.00 0.00 31.31 31.06 1jty n TRP 140 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1jty s SER 141 N -0.47 1.76 -0.04 -0.67 0.15 -1.25 -4.50 113.70 108.68 1jty s SER 141 Ca 0.00 -0.43 -0.00 0.00 0.70 0.00 0.00 55.95 56.22 1jty s SER 141 Cb 0.00 0.22 0.03 0.00 -1.71 0.00 0.00 66.02 64.55 1jty s SER 141 CO 0.00 -0.35 0.01 -0.63 1.20 0.00 0.00 173.24 173.47 1jty s ILE 142 N 2.28 0.21 -0.20 6.45 1.01 -1.26 -4.77 121.20 124.92 1jty s ILE 142 Ca 0.06 0.13 -0.08 0.00 0.00 0.00 0.00 60.65 60.76 1jty s ILE 142 Cb -0.16 -0.35 -0.20 0.00 0.01 0.00 0.00 42.46 41.77 1jty s ILE 142 CO -0.15 0.19 0.06 -0.46 0.00 0.00 0.00 174.94 174.58 1jty n ASN 143 N 4.57 2.01 -2.32 3.58 6.94 -1.26 -4.35 115.26 124.44 1jty n ASN 143 Ca -0.18 0.18 -0.21 0.00 -0.02 0.00 0.00 54.58 54.35 1jty n ASN 143 Cb 0.50 -0.76 -0.11 0.00 -2.36 0.00 0.00 39.78 37.06 1jty n ASN 143 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1jty n ASP 144 N -3.73 6.02 -0.37 0.53 5.75 -1.26 -4.68 116.55 118.81 1jty n ASP 144 Ca -0.39 -2.82 -0.06 0.00 -0.01 0.00 0.00 54.79 51.50 1jty n ASP 144 Cb 0.94 -1.34 -0.03 0.00 -1.03 0.00 0.00 41.12 39.65 1jty n ASP 144 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1jty h VAL 145 N 2.06 0.01 -1.19 2.12 2.07 -1.99 0.47 116.25 119.80 1jty h VAL 145 Ca 0.32 0.00 0.34 0.00 0.82 0.00 0.00 66.70 68.19 1jty h VAL 145 Cb 1.08 0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 1jty h VAL 145 CO 0.62 0.00 0.85 0.78 0.02 0.00 0.00 177.57 179.83 1jty h ASN 146 N -0.04 0.06 0.04 0.57 2.35 -1.96 0.25 115.58 116.85 1jty h ASN 146 Ca 0.24 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.93 1jty h ASN 146 Cb 0.52 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.90 1jty h ASN 146 CO -0.92 0.01 -0.32 0.00 -1.65 0.00 0.00 177.43 174.55 1jty h ALA 147 N 1.43 -0.01 0.02 -0.83 0.00 -0.46 -2.79 119.26 116.61 1jty h ALA 147 Ca 0.58 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jty h ALA 147 Cb 2.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 20.04 1jty h ALA 147 CO -0.05 0.14 -0.01 0.28 0.00 0.00 0.00 179.25 179.60 1jty h VAL 148 N -0.64 1.01 -0.89 0.00 2.07 -0.75 -0.27 116.25 116.78 1jty h VAL 148 Ca -0.05 -0.09 0.21 0.00 0.82 0.00 0.00 66.70 67.58 1jty h VAL 148 Cb 1.18 1.07 -0.12 0.00 -1.52 0.00 0.00 31.29 31.90 1jty h VAL 148 CO 0.06 0.02 0.42 0.28 0.02 0.00 0.00 177.57 178.37 1jty h SER 149 N -0.06 0.41 -0.10 0.57 0.02 -0.67 0.47 113.55 114.18 1jty h SER 149 Ca -0.00 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1jty h SER 149 Cb 0.06 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 1jty h SER 149 CO 0.00 0.06 0.03 0.11 -1.14 0.00 0.00 176.83 175.89 1jty h LYS 150 N 0.47 0.16 -0.72 3.45 1.57 -1.05 -1.94 116.57 118.51 1jty h LYS 150 Ca 0.54 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 1jty h LYS 150 Cb 0.98 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.23 1jty h LYS 150 CO -0.49 0.33 0.45 0.82 -0.57 0.00 0.00 179.45 179.99 1jty h ILE 151 N -0.04 1.20 -0.46 1.86 2.04 0.85 -2.64 117.51 120.32 1jty h ILE 151 Ca 0.03 -0.40 -0.08 0.00 1.00 0.00 0.00 64.86 65.41 1jty h ILE 151 Cb 0.24 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 1jty h ILE 151 CO -0.00 0.20 -0.05 0.00 0.00 0.00 0.00 178.15 178.30 1jty h ALA 152 N 1.24 1.06 0.63 1.87 0.00 -0.11 0.44 119.26 124.39 1jty h ALA 152 Ca 0.26 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1jty h ALA 152 Cb -0.07 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.55 1jty h ALA 152 CO -0.05 0.58 -0.30 0.00 0.00 0.00 0.00 179.25 179.48 1jty h ALA 153 N 1.22 -0.85 -0.33 0.00 0.00 -1.04 -2.42 119.26 115.84 1jty h ALA 153 Ca 0.13 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1jty h ALA 153 Cb 0.51 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1jty h ALA 153 CO 0.03 -0.88 -0.23 -0.91 0.00 0.00 0.00 179.25 177.26 1jty h ASN 154 N -1.05 0.65 -0.26 0.00 2.35 -1.48 -1.47 115.58 114.32 1jty h ASN 154 Ca -0.09 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1jty h ASN 154 Cb 0.70 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1jty h ASN 154 CO 0.14 0.87 0.16 0.00 -1.65 0.00 0.00 177.43 176.95 1jty h ALA 155 N 1.18 0.33 0.06 -0.83 0.00 -0.97 -1.21 119.26 117.83 1jty h ALA 155 Ca 0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jty h ALA 155 Cb 0.70 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1jty h ALA 155 CO 0.05 -0.17 -0.03 0.28 0.00 0.00 0.00 179.25 179.39 1jty h VAL 156 N 0.33 0.96 -0.90 0.00 2.07 -1.29 -1.85 116.25 115.58 1jty h VAL 156 Ca 0.09 -0.07 0.20 0.00 0.82 0.00 0.00 66.70 67.74 1jty h VAL 156 Cb 0.01 1.01 -0.12 0.00 -1.52 0.00 0.00 31.29 30.68 1jty h VAL 156 CO -0.02 0.02 0.42 -1.13 0.02 0.00 0.00 177.57 176.89 1jty h ASN 157 N -0.11 0.41 -0.18 0.57 -0.73 -0.90 0.31 115.58 114.95 1jty h ASN 157 Ca -0.01 0.14 -0.03 0.00 1.87 0.00 0.00 56.30 58.27 1jty h ASN 157 Cb 0.09 0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.77 1jty h ASN 157 CO 0.01 0.06 0.01 1.23 -0.37 0.00 0.00 177.43 178.38 1jty h GLY 158 N 0.47 0.33 0.41 1.57 0.00 -0.97 0.34 103.07 105.22 1jty h GLY 158 Ca 0.55 -0.24 0.10 0.00 0.00 0.00 0.00 47.33 47.74 1jty h GLY 158 CO -0.48 0.22 0.29 -2.22 0.00 0.00 0.00 176.54 174.34 1jty h ILE 159 N 0.07 0.79 -0.06 2.60 2.04 -0.02 0.47 117.51 123.41 1jty h ILE 159 Ca 0.05 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.68 1jty h ILE 159 Cb 0.36 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1jty h ILE 159 CO 0.01 0.09 -0.20 0.58 0.00 0.00 0.00 178.15 178.62 1jty h VAL 160 N 0.49 1.44 -0.07 1.67 2.07 -0.26 -3.19 116.25 118.40 1jty h VAL 160 Ca 0.33 -1.60 -0.09 0.00 0.82 0.00 0.00 66.70 66.16 1jty h VAL 160 Cb 0.39 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1jty h VAL 160 CO -0.30 0.45 -0.29 0.74 0.02 0.00 0.00 177.57 178.19 1jty h THR 161 N -0.28 1.42 0.00 2.57 2.02 -0.18 -3.34 112.91 115.13 1jty h THR 161 Ca -0.01 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.49 1jty h THR 161 Cb 0.83 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 1jty h THR 161 CO 0.04 0.48 -0.04 0.49 0.37 0.00 0.00 175.52 176.87 1jty n PHE 162 N -4.45 0.82 0.97 3.16 3.01 0.14 -3.71 117.46 117.40 1jty n PHE 162 Ca -0.08 0.24 0.05 0.00 1.01 0.00 0.00 57.45 58.66 1jty n PHE 162 Cb 0.48 -0.88 0.13 0.00 -0.01 0.00 0.00 39.48 39.20 1jty n PHE 162 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1jty n THR 163 N -2.18 0.47 0.23 4.37 -1.04 -1.21 -4.60 114.28 110.32 1jty n THR 163 Ca 0.06 -0.41 0.10 0.00 -2.04 0.00 0.00 64.05 61.76 1jty n THR 163 Cb 0.42 0.13 0.56 0.00 -1.82 0.00 0.00 70.33 69.62 1jty n THR 163 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 1jty h HIS 164 N 1.72 0.00 0.00 -1.42 2.76 -1.75 -2.85 115.15 113.61 1jty h HIS 164 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1jty h HIS 164 Cb 0.47 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.43 1jty h HIS 164 CO 0.22 0.00 0.00 -0.85 -1.30 0.00 0.00 177.93 176.00 1jty n GLU 165 N -2.39 0.42 -4.10 5.26 0.00 -1.26 -4.91 120.64 113.66 1jty n GLU 165 Ca -0.01 0.04 -0.22 0.00 0.00 0.00 0.00 57.16 56.97 1jty n GLU 165 Cb 0.31 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.21 1jty n GLU 165 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1jty s GLN 166 N -2.48 2.97 -0.02 3.44 -0.21 -1.08 -5.11 119.66 117.17 1jty s GLN 166 Ca 0.26 -1.03 -0.30 0.00 0.02 0.00 0.00 55.36 54.31 1jty s GLN 166 Cb 0.17 -2.59 -0.04 0.00 1.00 0.00 0.00 33.01 31.55 1jty s GLN 166 CO 0.36 0.40 1.15 0.54 -2.12 0.00 0.00 175.29 175.62 1jty s ASN 167 N -3.86 7.13 0.46 5.90 4.22 -1.26 -4.85 114.94 122.68 1jty s ASN 167 Ca 0.33 1.82 0.15 0.00 -2.14 0.00 0.00 52.86 53.02 1jty s ASN 167 Cb -0.08 -2.57 0.52 0.00 1.28 0.00 0.00 41.25 40.41 1jty s ASN 167 CO 0.25 -0.49 0.92 0.00 -2.04 0.00 0.00 177.10 175.74 1jty n ILE 168 N 4.32 0.00 0.01 0.54 0.13 -1.26 0.70 119.36 123.80 1jty n ILE 168 Ca 0.09 0.90 -0.18 0.00 -1.10 0.00 0.00 62.75 62.46 1jty n ILE 168 Cb 0.47 -1.65 -0.10 0.00 -0.84 0.00 0.00 39.64 37.52 1jty n ILE 168 CO 0.00 0.00 0.00 0.78 2.80 0.00 0.00 176.55 180.13 1jty h ASN 169 N 0.00 0.72 -0.35 9.51 2.35 -2.00 -2.84 115.58 122.97 1jty h ASN 169 Ca 0.28 -0.73 -0.17 0.00 -0.55 0.00 0.00 56.30 55.14 1jty h ASN 169 Cb 2.04 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 40.19 1jty h ASN 169 CO -0.00 1.35 -0.45 -0.08 -1.65 0.00 0.00 177.43 176.60 1jty h GLU 170 N 0.16 0.92 0.45 0.81 4.57 -0.10 -2.94 114.58 118.46 1jty h GLU 170 Ca -0.09 -0.52 -0.01 0.00 -1.18 0.00 0.00 59.36 57.55 1jty h GLU 170 Cb 1.44 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.06 1jty h GLU 170 CO 0.15 1.17 -0.33 0.00 -1.18 0.00 0.00 179.01 178.82 1jty h ARG 171 N 0.74 -0.75 -0.74 1.92 3.08 -1.59 0.40 114.38 117.43 1jty h ARG 171 Ca 0.04 0.05 0.21 0.00 0.07 0.00 0.00 59.98 60.36 1jty h ARG 171 Cb 1.05 0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.24 1jty h ARG 171 CO 0.11 -0.50 0.58 0.82 -1.07 0.00 0.00 179.97 179.91 1jty h ILE 172 N -0.78 0.51 -0.02 2.04 2.04 -1.54 -0.56 117.51 119.20 1jty h ILE 172 Ca -0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1jty h ILE 172 Cb 0.66 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1jty h ILE 172 CO 0.01 0.00 -0.02 0.11 0.00 0.00 0.00 178.15 178.25 1jty h LYS 173 N 0.00 0.04 -0.27 2.37 1.79 -0.79 -2.06 116.57 117.65 1jty h LYS 173 Ca 0.35 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.78 1jty h LYS 173 Cb 1.51 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.15 1jty h LYS 173 CO -0.00 0.53 0.11 -0.07 -1.08 0.00 0.00 179.45 178.94 1jty h LEU 174 N -0.45 0.37 -1.15 2.94 3.38 0.07 -0.86 115.31 119.61 1jty h LEU 174 Ca 0.00 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 57.90 1jty h LEU 174 Cb 0.53 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 1jty h LEU 174 CO 0.00 0.43 0.59 -0.03 0.09 0.00 0.00 178.44 179.53 1jty h MET 175 N 0.28 0.92 -0.02 1.13 4.05 -1.21 0.85 114.93 120.94 1jty h MET 175 Ca 0.09 -0.06 -0.19 0.00 -0.28 0.00 0.00 59.70 59.26 1jty h MET 175 Cb 0.18 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 1jty h MET 175 CO -0.01 0.61 -0.83 -0.91 0.23 0.00 0.00 176.91 176.01 1jty h ASN 176 N 0.95 0.35 -0.09 1.39 2.35 -1.16 -1.43 115.58 117.95 1jty h ASN 176 Ca 0.42 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1jty h ASN 176 Cb 0.37 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 1jty h ASN 176 CO -0.18 1.03 0.05 0.50 -1.65 0.00 0.00 177.43 177.18 1jty h LYS 177 N 0.17 0.13 0.40 0.81 1.63 0.52 -1.72 116.57 118.51 1jty h LYS 177 Ca -0.04 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 1jty h LYS 177 Cb 1.43 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 33.01 1jty h LYS 177 CO 0.13 0.17 -0.43 0.35 -3.45 0.00 0.00 179.45 176.22 1jty h PHE 178 N 0.06 -1.20 -1.00 1.91 3.57 0.69 -0.42 116.94 120.56 1jty h PHE 178 Ca 0.03 0.01 0.36 0.00 3.53 0.00 0.00 57.97 61.91 1jty h PHE 178 Cb 0.07 0.47 -0.16 0.00 2.79 0.00 0.00 35.95 39.12 1jty h PHE 178 CO -0.05 -0.57 0.54 0.77 -2.23 0.00 0.00 178.31 176.78 1jty h SER 179 N -0.84 0.40 -0.05 0.41 0.02 -1.07 0.19 113.55 112.62 1jty h SER 179 Ca -0.05 0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 1jty h SER 179 Cb 0.73 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1jty h SER 179 CO -0.07 -0.27 -0.15 -0.61 -1.14 0.00 0.00 176.83 174.59 1jty h GLN 180 N 0.18 0.18 0.37 3.45 4.15 -0.70 -1.08 115.11 121.66 1jty h GLN 180 Ca 0.78 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 60.04 1jty h GLN 180 Cb 1.90 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 29.61 1jty h GLN 180 CO -0.68 0.76 -0.22 0.82 -1.93 0.00 0.00 178.83 177.58 1jty h ILE 181 N -0.36 0.00 -0.43 2.39 2.04 0.72 -0.10 117.51 121.78 1jty h ILE 181 Ca -0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.93 1jty h ILE 181 Cb 0.78 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.76 1jty h ILE 181 CO 0.03 0.00 -0.39 0.15 0.00 0.00 0.00 178.15 177.94 1jty h PHE 182 N -0.54 -1.11 -0.08 1.37 3.04 -0.85 0.68 116.94 119.44 1jty h PHE 182 Ca -0.05 0.07 0.02 0.00 3.98 0.00 0.00 57.97 61.99 1jty h PHE 182 Cb 0.43 0.55 -0.00 0.00 2.56 0.00 0.00 35.95 39.49 1jty h PHE 182 CO 0.03 -0.42 0.13 1.25 -2.02 0.00 0.00 178.31 177.28 1jty h LEU 183 N -0.29 0.00 0.00 0.59 5.85 -1.18 0.80 115.31 121.09 1jty h LEU 183 Ca 0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1jty h LEU 183 Cb 0.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1jty h LEU 183 CO -0.58 0.00 0.00 -3.20 -0.34 0.00 0.00 178.44 174.32 1jty n ASN 184 N -3.54 0.00 -2.57 1.25 2.85 0.23 -3.57 115.26 109.91 1jty n ASN 184 Ca -0.01 -0.39 -0.31 0.00 -0.11 0.00 0.00 54.58 53.76 1jty n ASN 184 Cb 0.22 -0.19 0.02 0.00 1.24 0.00 0.00 39.78 41.07 1jty n ASN 184 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1jty n GLY 185 N 0.98 5.88 0.00 8.20 0.00 0.28 -4.64 105.19 115.89 1jty n GLY 185 Ca 0.16 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.54 1jty n GLY 185 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jty n LEU 186 N -0.55 0.15 0.00 0.99 4.77 -1.23 -5.08 117.00 116.06 1jty n LEU 186 Ca 0.46 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1jty n LEU 186 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1jty n LEU 186 CO 0.42 0.03 0.03 -1.20 -1.33 0.00 0.00 177.39 175.33