#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 0.62 -4.53 6.46 -1.98 0.36 115.31 116.24 1jty h LEU 3 Ca 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 1jty h LEU 3 Cb 0.00 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 39.94 1jty h LEU 3 CO 0.00 0.00 -0.30 0.50 -0.62 0.00 0.00 178.44 178.02 1jty h LYS 4 N 0.00 -0.80 0.00 1.25 1.63 -1.99 -2.04 116.57 114.62 1jty h LYS 4 Ca 0.07 0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1jty h LYS 4 Cb 0.33 0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1jty h LYS 4 CO -0.00 -0.49 -0.02 -0.44 -3.45 0.00 0.00 179.45 175.05 1jty h ASP 5 N -1.05 0.00 -0.47 4.20 3.45 -1.32 0.83 116.42 122.06 1jty h ASP 5 Ca -0.09 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.26 1jty h ASP 5 Cb 0.69 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.44 1jty h ASP 5 CO 0.14 0.02 -0.16 0.11 -1.57 0.00 0.00 179.24 177.78 1jty h LYS 6 N 0.00 0.96 0.07 3.56 1.57 -0.30 0.16 116.57 122.60 1jty h LYS 6 Ca -0.00 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1jty h LYS 6 Cb 0.04 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1jty h LYS 6 CO 0.00 1.04 -0.03 0.82 -0.57 0.00 0.00 179.45 180.71 1jty h ILE 7 N 0.85 1.22 -0.04 1.86 2.04 -0.48 -1.05 117.51 121.91 1jty h ILE 7 Ca 0.12 -1.19 -0.00 0.00 1.00 0.00 0.00 64.86 64.79 1jty h ILE 7 Cb 0.71 1.97 -0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1jty h ILE 7 CO 0.05 0.29 0.01 -0.07 0.00 0.00 0.00 178.15 178.43 1jty h LEU 8 N -0.65 0.04 0.00 1.44 3.38 -0.87 0.21 115.31 118.86 1jty h LEU 8 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jty h LEU 8 Cb 0.54 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1jty h LEU 8 CO 0.02 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1jty n GLY 9 N -1.50 -1.11 0.36 0.83 0.00 0.57 -1.84 105.19 102.51 1jty n GLY 9 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 1jty n GLY 9 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jty h VAL 10 N 0.00 0.06 -0.12 1.61 2.07 -1.15 -0.87 116.25 117.84 1jty h VAL 10 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1jty h VAL 10 Cb 0.00 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 29.77 1jty h VAL 10 CO 0.00 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.35 1jty h ALA 11 N 1.42 -0.23 -0.66 1.67 0.00 -0.69 0.14 119.26 120.90 1jty h ALA 11 Ca 0.34 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.37 1jty h ALA 11 Cb 0.60 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 1jty h ALA 11 CO -0.91 -0.71 0.32 -0.22 0.00 0.00 0.00 179.25 177.73 1jty h LYS 12 N -0.32 0.54 -0.76 0.00 3.64 -0.43 0.27 116.57 119.51 1jty h LYS 12 Ca 0.10 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1jty h LYS 12 Cb 0.46 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1jty h LYS 12 CO -0.30 0.36 0.32 0.93 -2.27 0.00 0.00 179.45 178.49 1jty h GLU 13 N 0.56 1.13 -0.13 1.90 4.39 -0.45 -1.90 114.58 120.08 1jty h GLU 13 Ca 0.32 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.75 1jty h GLU 13 Cb 0.33 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1jty h GLU 13 CO -0.26 0.91 -0.27 -0.07 -1.16 0.00 0.00 179.01 178.17 1jty h LEU 14 N 1.10 0.22 -0.38 1.33 3.38 0.12 -1.66 115.31 119.43 1jty h LEU 14 Ca 0.26 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 1jty h LEU 14 Cb 0.19 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1jty h LEU 14 CO -0.02 0.50 -0.29 -0.26 0.09 0.00 0.00 178.44 178.45 1jty h PHE 15 N 0.21 1.02 -0.69 1.13 0.05 -0.15 -1.80 116.94 116.71 1jty h PHE 15 Ca 0.03 -0.29 -0.05 0.00 3.82 0.00 0.00 57.97 61.49 1jty h PHE 15 Cb 0.58 -0.22 -0.03 0.00 2.00 0.00 0.00 35.95 38.28 1jty h PHE 15 CO 0.01 1.08 0.25 0.82 -0.18 0.00 0.00 178.31 180.28 1jty h ILE 16 N 0.66 1.25 0.01 -0.55 2.04 -1.07 -0.13 117.51 119.72 1jty h ILE 16 Ca 0.07 -0.82 -0.20 0.00 1.00 0.00 0.00 64.86 64.92 1jty h ILE 16 Cb 0.87 0.49 0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1jty h ILE 16 CO 0.08 0.32 -0.78 0.50 0.00 0.00 0.00 178.15 178.27 1jty h LYS 17 N 0.99 0.52 0.00 2.37 3.64 -1.26 -3.41 116.57 119.42 1jty h LYS 17 Ca 0.23 -0.57 -0.31 0.00 -1.27 0.00 0.00 60.65 58.73 1jty h LYS 17 Cb 0.25 0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.17 1jty h LYS 17 CO -0.01 1.20 -2.17 0.09 -2.27 0.00 0.00 179.45 176.29 1jty n ASN 18 N -4.08 1.11 0.00 4.20 5.03 -0.68 -5.11 115.26 115.73 1jty n ASN 18 Ca -0.11 -0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.32 1jty n ASN 18 Cb 0.76 0.70 0.00 0.00 -1.02 0.00 0.00 39.78 40.22 1jty n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jty n GLY 19 N 2.05 -0.26 0.13 7.41 0.00 -0.06 -4.54 105.19 109.91 1jty n GLY 19 Ca -0.29 -2.28 -0.22 0.00 0.00 0.00 0.00 46.02 43.23 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 0.00 0.77 -0.15 1.61 3.20 -1.78 -3.27 116.97 117.34 1jty h TYR 20 Ca 0.00 -0.56 -0.02 0.00 3.14 0.00 0.00 58.73 61.29 1jty h TYR 20 Cb 0.00 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1jty h TYR 20 CO 0.00 1.44 0.01 -0.91 -1.64 0.00 0.00 178.16 177.06 1jty h ASN 21 N -0.12 0.26 0.33 -2.11 2.35 -1.93 -3.17 115.58 111.19 1jty h ASN 21 Ca -0.20 -0.29 -0.07 0.00 -0.55 0.00 0.00 56.30 55.20 1jty h ASN 21 Cb 1.90 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 40.19 1jty h ASN 21 CO 0.21 0.48 -0.31 0.00 -1.65 0.00 0.00 177.43 176.17 1jty h ALA 22 N 0.78 1.46 -1.60 -0.83 0.00 -1.80 -3.41 119.26 113.86 1jty h ALA 22 Ca 0.05 -0.28 -0.51 0.00 0.00 0.00 0.00 54.91 54.16 1jty h ALA 22 Cb 0.35 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1jty h ALA 22 CO 0.01 0.39 1.37 0.99 0.00 0.00 0.00 179.25 182.01 1jty s THR 23 N -4.30 3.34 0.25 0.00 2.01 -1.20 -4.96 115.64 110.78 1jty s THR 23 Ca -0.03 0.25 -0.12 0.00 0.31 0.00 0.00 61.69 62.10 1jty s THR 23 Cb 0.15 -3.75 -0.08 0.00 0.01 0.00 0.00 72.50 68.83 1jty s THR 23 CO 0.71 -0.67 0.62 0.42 -0.69 0.00 0.00 174.62 175.01 1jty s THR 24 N 8.89 4.83 0.48 -0.82 -4.23 -1.26 -4.97 115.64 118.57 1jty s THR 24 Ca 0.74 0.69 0.15 0.00 -1.18 0.00 0.00 61.69 62.10 1jty s THR 24 Cb -0.16 -3.64 0.30 0.00 1.34 0.00 0.00 72.50 70.35 1jty s THR 24 CO 0.25 -0.07 2.08 0.00 -0.54 0.00 0.00 174.62 176.34 1jty h THR 25 N 2.10 0.97 -0.54 3.99 1.03 -1.97 -2.61 112.91 115.87 1jty h THR 25 Ca -0.47 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 65.87 1jty h THR 25 Cb 1.17 0.77 -0.03 0.00 -1.07 0.00 0.00 68.15 69.00 1jty h THR 25 CO 0.67 0.03 0.35 1.23 -0.01 0.00 0.00 175.52 177.79 1jty h GLY 26 N 0.18 0.77 0.86 2.99 0.00 -2.00 -2.74 103.07 103.13 1jty h GLY 26 Ca 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1jty h GLY 26 CO -0.02 0.29 0.05 0.83 0.00 0.00 0.00 176.54 177.69 1jty h GLU 27 N 0.73 0.36 -0.85 4.80 5.08 -1.87 0.12 114.58 122.94 1jty h GLU 27 Ca 0.20 -0.09 0.20 0.00 -1.00 0.00 0.00 59.36 58.66 1jty h GLU 27 Cb -0.06 -0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.03 1jty h GLU 27 CO -0.04 0.48 0.35 0.82 -1.00 0.00 0.00 179.01 179.62 1jty h ILE 28 N 0.18 0.51 -0.28 3.13 2.04 -1.46 0.17 117.51 121.80 1jty h ILE 28 Ca 0.07 -0.14 -0.18 0.00 1.00 0.00 0.00 64.86 65.61 1jty h ILE 28 Cb 0.29 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1jty h ILE 28 CO 0.00 0.07 -0.53 0.58 0.00 0.00 0.00 178.15 178.28 1jty h VAL 29 N 0.40 1.28 0.00 1.67 2.07 -1.15 -2.60 116.25 117.92 1jty h VAL 29 Ca 0.51 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 66.32 1jty h VAL 29 Cb 0.93 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1jty h VAL 29 CO -0.50 0.56 0.00 0.50 0.02 0.00 0.00 177.57 178.14 1jty h LYS 30 N 0.63 0.00 0.00 1.57 1.63 0.20 -2.74 116.57 117.87 1jty h LYS 30 Ca 0.01 0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.58 1jty h LYS 30 Cb 1.14 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.73 1jty h LYS 30 CO 0.12 0.00 -1.76 1.28 -3.45 0.00 0.00 179.45 175.64 1jty n LEU 31 N -2.70 1.84 -0.07 5.20 4.77 -0.51 -4.33 117.00 121.20 1jty n LEU 31 Ca -0.02 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1jty n LEU 31 Cb 0.09 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1jty n LEU 31 CO 0.17 0.16 0.09 -1.54 -1.33 0.00 0.00 177.39 174.93 1jty n SER 32 N -4.26 0.03 -1.57 -1.43 3.41 -0.99 -4.69 113.62 104.13 1jty n SER 32 Ca -0.34 -0.39 -0.08 0.00 -0.26 0.00 0.00 58.87 57.81 1jty n SER 32 Cb 0.69 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.60 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 -0.38 -1.53 0.00 4.33 1.02 -1.10 -4.88 120.64 118.09 1jty n GLU 33 Ca 0.00 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 1jty n GLU 33 Cb 0.01 -4.71 0.00 0.00 -0.02 0.00 0.00 31.44 26.71 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 -0.40 0.00 -3.81 1.62 2.88 -1.05 -5.05 113.62 107.81 1jty n SER 34 Ca -0.08 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.36 1jty n SER 34 Cb 0.35 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.74 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 0.03 0.12 -3.46 1.04 -1.26 -4.80 113.70 104.37 1jty s SER 35 Ca 0.00 -0.50 -0.18 0.00 0.48 0.00 0.00 55.95 55.75 1jty s SER 35 Cb 0.00 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 1jty s SER 35 CO 0.00 -0.70 1.69 0.11 0.98 0.00 0.00 173.24 175.32 1jty h LYS 36 N 2.88 0.46 -0.78 4.02 1.57 -1.94 0.39 116.57 123.17 1jty h LYS 36 Ca -0.33 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.40 1jty h LYS 36 Cb 1.21 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.39 1jty h LYS 36 CO 0.52 0.44 0.50 0.78 -0.57 0.00 0.00 179.45 181.12 1jty h GLY 37 N 0.37 1.13 1.14 3.86 0.00 -1.97 0.64 103.07 108.24 1jty h GLY 37 Ca 0.11 -0.38 -0.17 0.00 0.00 0.00 0.00 47.33 46.88 1jty h GLY 37 CO -0.01 0.33 -0.47 -0.57 0.00 0.00 0.00 176.54 175.82 1jty h ASN 38 N 0.98 1.00 0.68 0.19 -1.24 -1.90 -2.89 115.58 112.39 1jty h ASN 38 Ca 0.31 -0.50 -0.03 0.00 0.71 0.00 0.00 56.30 56.79 1jty h ASN 38 Cb -0.00 -0.28 0.01 0.00 0.73 0.00 0.00 38.32 38.77 1jty h ASN 38 CO -0.11 1.30 -0.33 0.25 -1.29 0.00 0.00 177.43 177.26 1jty h LEU 39 N 0.72 -0.77 0.00 0.34 6.46 0.41 -2.81 115.31 119.66 1jty h LEU 39 Ca 0.04 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1jty h LEU 39 Cb 1.08 0.20 0.00 0.00 -0.73 0.00 0.00 40.66 41.21 1jty h LEU 39 CO 0.11 -0.43 0.02 -1.22 -0.62 0.00 0.00 178.44 176.29 1jty n TYR 40 N -5.41 0.00 0.03 1.25 4.01 0.22 -0.59 117.16 116.66 1jty n TYR 40 Ca -0.13 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.41 1jty n TYR 40 Cb 0.38 -0.29 -0.14 0.00 -0.31 0.00 0.00 39.34 38.98 1jty n TYR 40 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1jty h TYR 41 N 0.00 0.50 0.01 -0.72 3.20 -1.28 -2.96 116.97 115.72 1jty h TYR 41 Ca 0.00 -0.37 -0.19 0.00 3.14 0.00 0.00 58.73 61.31 1jty h TYR 41 Cb 0.03 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1jty h TYR 41 CO 0.00 1.65 -0.89 0.45 -1.64 0.00 0.00 178.16 177.72 1jty h HIS 42 N 0.08 0.05 0.00 -3.82 3.86 -0.74 -3.40 115.15 111.18 1jty h HIS 42 Ca -0.37 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 1jty h HIS 42 Cb 2.05 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.52 1jty h HIS 42 CO 0.08 0.91 -0.08 1.19 0.86 0.00 0.00 177.93 180.89 1jty n PHE 43 N -3.51 0.00 0.00 2.45 3.01 -0.96 -5.04 117.46 113.41 1jty n PHE 43 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1jty n PHE 43 Cb 0.84 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.31 1jty n PHE 43 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1jty n LYS 44 N -0.80 0.00 -4.20 -1.08 4.81 -1.12 -4.39 118.16 111.38 1jty n LYS 44 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 1jty n LYS 44 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 1jty n LYS 44 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1jty s THR 45 N 0.00 0.00 0.19 3.15 -4.23 -1.26 -4.87 115.64 108.62 1jty s THR 45 Ca 0.00 -1.88 0.05 0.00 -1.18 0.00 0.00 61.69 58.68 1jty s THR 45 Cb 0.00 -2.50 -0.12 0.00 1.34 0.00 0.00 72.50 71.22 1jty s THR 45 CO 0.00 0.00 1.44 0.50 -0.54 0.00 0.00 174.62 176.02 1jty h LYS 46 N 2.30 0.15 -0.62 3.99 3.64 -2.00 -1.96 116.57 122.08 1jty h LYS 46 Ca -0.29 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 58.93 1jty h LYS 46 Cb 1.24 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.07 1jty h LYS 46 CO 0.42 0.87 0.35 0.93 -2.27 0.00 0.00 179.45 179.75 1jty h GLU 47 N 0.09 0.86 -0.27 1.90 3.07 -1.96 -2.21 114.58 116.05 1jty h GLU 47 Ca -0.03 -0.09 -0.08 0.00 -0.50 0.00 0.00 59.36 58.65 1jty h GLU 47 Cb 1.40 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 29.13 1jty h GLU 47 CO 0.12 0.64 -0.16 -0.97 -1.40 0.00 0.00 179.01 177.24 1jty h ASN 48 N 0.84 0.61 -0.10 1.42 -0.73 -1.78 -1.74 115.58 114.09 1jty h ASN 48 Ca 0.22 -0.43 0.03 0.00 1.87 0.00 0.00 56.30 58.00 1jty h ASN 48 Cb 0.03 -0.17 -0.04 0.00 0.27 0.00 0.00 38.32 38.41 1jty h ASN 48 CO -0.04 0.90 -0.11 0.25 -0.37 0.00 0.00 177.43 178.07 1jty h LEU 49 N 0.32 -0.34 0.26 0.34 5.85 -1.22 -1.50 115.31 119.02 1jty h LEU 49 Ca 0.06 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1jty h LEU 49 Cb 0.69 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 1jty h LEU 49 CO 0.05 -0.15 -0.48 0.15 -0.34 0.00 0.00 178.44 177.66 1jty h PHE 50 N -0.13 -1.37 -0.81 1.25 3.04 -1.38 -1.83 116.94 115.70 1jty h PHE 50 Ca 0.08 0.03 0.16 0.00 3.98 0.00 0.00 57.97 62.21 1jty h PHE 50 Cb 0.24 0.56 -0.15 0.00 2.56 0.00 0.00 35.95 39.17 1jty h PHE 50 CO -0.22 -0.60 -0.22 -0.07 -2.02 0.00 0.00 178.31 175.18 1jty h LEU 51 N -0.81 -0.82 -1.74 0.59 -0.00 -0.99 0.54 115.31 112.09 1jty h LEU 51 Ca -0.02 0.25 -0.03 0.00 -0.00 0.00 0.00 57.88 58.08 1jty h LEU 51 Cb 0.77 0.52 -0.00 0.00 -0.00 0.00 0.00 40.66 41.95 1jty h LEU 51 CO -0.19 -0.27 -0.12 -0.08 -0.00 0.00 0.00 178.44 177.77 1jty h GLU 52 N -0.01 0.01 -0.08 1.13 4.81 -0.94 0.33 114.58 119.83 1jty h GLU 52 Ca 0.38 -0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.43 1jty h GLU 52 Cb 0.59 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.98 1jty h GLU 52 CO -0.83 0.14 -0.65 0.82 -0.73 0.00 0.00 179.01 177.75 1jty h ILE 53 N 0.01 1.35 -0.39 2.32 2.04 0.77 -1.75 117.51 121.86 1jty h ILE 53 Ca 0.00 -1.96 -0.06 0.00 1.00 0.00 0.00 64.86 63.85 1jty h ILE 53 Cb 0.22 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 1jty h ILE 53 CO 0.02 0.59 -0.01 0.25 0.00 0.00 0.00 178.15 179.00 1jty h LEU 54 N 0.20 0.58 -0.83 1.44 5.85 0.10 -0.85 115.31 121.81 1jty h LEU 54 Ca -0.06 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 1jty h LEU 54 Cb 1.30 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 1jty h LEU 54 CO 0.13 0.66 0.16 -1.13 -0.34 0.00 0.00 178.44 177.92 1jty h ASN 55 N 0.58 0.98 0.25 1.25 -1.24 -0.25 -2.69 115.58 114.47 1jty h ASN 55 Ca 0.12 -0.20 -0.01 0.00 0.71 0.00 0.00 56.30 56.92 1jty h ASN 55 Cb 0.38 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.18 1jty h ASN 55 CO 0.01 0.94 -0.12 0.40 -1.29 0.00 0.00 177.43 177.37 1jty h ILE 56 N 0.99 0.00 -0.85 2.57 2.04 -0.52 -3.13 117.51 118.61 1jty h ILE 56 Ca 0.21 -0.33 0.24 0.00 1.00 0.00 0.00 64.86 65.98 1jty h ILE 56 Cb 0.35 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.27 1jty h ILE 56 CO 0.00 0.00 0.03 -0.62 0.00 0.00 0.00 178.15 177.56 1jty n GLU 57 N -3.83 -0.07 -0.15 2.37 -0.58 -0.40 0.12 120.64 118.10 1jty n GLU 57 Ca -0.04 1.27 -0.02 0.00 -0.42 0.00 0.00 57.16 57.95 1jty n GLU 57 Cb 0.13 -2.03 0.06 0.00 -0.57 0.00 0.00 31.44 29.03 1jty n GLU 57 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1jty h GLU 58 N 0.00 0.12 0.01 3.49 4.57 -1.52 -1.01 114.58 120.23 1jty h GLU 58 Ca 0.52 -0.01 -0.21 0.00 -1.18 0.00 0.00 59.36 58.49 1jty h GLU 58 Cb 1.09 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 1jty h GLU 58 CO -0.80 0.08 -0.90 1.03 -1.18 0.00 0.00 179.01 177.24 1jty h SER 59 N 0.12 0.33 -0.12 1.04 0.87 0.10 -1.93 113.55 113.97 1jty h SER 59 Ca 0.25 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1jty h SER 59 Cb 0.37 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1jty h SER 59 CO -0.40 1.08 0.04 0.11 -0.53 0.00 0.00 176.83 177.12 1jty h LYS 60 N 0.14 0.19 -0.93 2.24 1.79 -1.10 -1.13 116.57 117.77 1jty h LYS 60 Ca -0.06 -0.04 0.09 0.00 -2.18 0.00 0.00 60.65 58.47 1jty h LYS 60 Cb 1.54 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 32.09 1jty h LYS 60 CO 0.14 0.34 0.57 2.35 -1.08 0.00 0.00 179.45 181.77 1jty h TRP 61 N 0.01 1.04 -0.58 -1.35 2.91 -1.19 0.44 115.95 117.23 1jty h TRP 61 Ca 0.04 0.03 -0.11 0.00 1.13 0.00 0.00 58.89 59.98 1jty h TRP 61 Cb 0.23 -0.33 -0.02 0.00 -0.51 0.00 0.00 29.16 28.53 1jty h TRP 61 CO 0.00 0.46 -0.05 0.37 -1.03 0.00 0.00 178.44 178.19 1jty h GLN 62 N 0.96 1.06 -0.17 2.65 4.15 -1.00 -1.53 115.11 121.23 1jty h GLN 62 Ca 0.44 -0.36 -0.10 0.00 0.77 0.00 0.00 58.65 59.40 1jty h GLN 62 Cb 0.34 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.95 1jty h GLN 62 CO -0.23 1.06 -0.28 1.49 -1.93 0.00 0.00 178.83 178.94 1jty h GLU 63 N 0.95 0.50 -0.47 1.69 4.57 -0.41 -1.09 114.58 120.32 1jty h GLU 63 Ca 0.16 -0.31 0.08 0.00 -1.18 0.00 0.00 59.36 58.11 1jty h GLU 63 Cb 0.62 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.17 1jty h GLU 63 CO 0.04 0.91 0.08 0.37 -1.18 0.00 0.00 179.01 179.23 1jty h GLN 64 N 0.15 0.21 -0.51 1.92 4.15 -0.06 -1.99 115.11 118.97 1jty h GLN 64 Ca 0.01 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 1jty h GLN 64 Cb 0.87 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.49 1jty h GLN 64 CO 0.06 0.14 -0.12 2.35 -1.93 0.00 0.00 178.83 179.33 1jty h TRP 65 N 0.21 1.07 -0.45 3.99 -0.00 -1.22 -2.09 115.95 117.47 1jty h TRP 65 Ca 0.23 -0.22 0.08 0.00 -0.00 0.00 0.00 58.89 58.99 1jty h TRP 65 Cb 0.31 -0.27 -0.10 0.00 -0.00 0.00 0.00 29.16 29.11 1jty h TRP 65 CO -0.23 1.01 -0.36 -0.22 -0.00 0.00 0.00 178.44 178.64 1jty h LYS 66 N 0.85 -0.24 0.00 2.65 3.64 -0.41 -1.65 116.57 121.41 1jty h LYS 66 Ca 0.13 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1jty h LYS 66 Cb 0.67 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1jty h LYS 66 CO 0.05 -0.16 -0.16 1.57 -2.27 0.00 0.00 179.45 178.47 1jty h LYS 67 N -0.25 0.10 -0.89 1.90 2.10 -1.52 -3.34 116.57 114.67 1jty h LYS 67 Ca 0.18 -0.12 0.23 0.00 -2.00 0.00 0.00 60.65 58.94 1jty h LYS 67 Cb 0.56 0.03 -0.13 0.00 -0.90 0.00 0.00 32.23 31.79 1jty h LYS 67 CO -0.59 0.90 0.36 1.49 -2.00 0.00 0.00 179.45 179.61 1jty h GLU 68 N -0.64 0.34 0.00 0.07 4.57 -1.20 -0.66 114.58 117.06 1jty h GLU 68 Ca -0.02 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1jty h GLU 68 Cb 0.96 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 1jty h GLU 68 CO 0.03 0.23 0.00 0.00 -1.18 0.00 0.00 179.01 178.09 1jty n GLN 69 N -5.09 0.12 -0.04 1.92 10.64 -0.64 -2.34 117.38 121.96 1jty n GLN 69 Ca 0.22 0.60 -0.09 0.00 -1.83 0.00 0.00 57.00 55.90 1jty n GLN 69 Cb 0.67 -1.88 -0.03 0.00 -0.86 0.00 0.00 30.24 28.14 1jty n GLN 69 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 1jty h ILE 70 N 0.00 0.96 0.00 -0.39 5.03 -1.30 -2.14 117.51 119.67 1jty h ILE 70 Ca 0.00 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 64.68 1jty h ILE 70 Cb 0.03 0.78 0.00 0.00 -3.03 0.00 0.00 36.82 34.60 1jty h ILE 70 CO 0.00 0.03 0.51 0.11 -0.68 0.00 0.00 178.15 178.12 1jty h LYS 71 N 0.17 0.00 -4.94 2.37 1.57 -1.66 -3.37 116.57 110.71 1jty h LYS 71 Ca 0.08 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.21 1jty h LYS 71 Cb 0.05 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.11 1jty h LYS 71 CO -0.08 0.00 -0.65 0.00 -0.57 0.00 0.00 179.45 178.15 1jty s ALA 72 N -3.57 3.05 0.07 3.86 0.00 -0.81 -5.00 121.76 119.36 1jty s ALA 72 Ca -0.01 -1.20 -0.07 0.00 0.00 0.00 0.00 51.96 50.67 1jty s ALA 72 Cb 0.04 -1.99 -0.28 0.00 0.00 0.00 0.00 23.12 20.88 1jty s ALA 72 CO 0.12 -0.55 1.13 0.87 0.00 0.00 0.00 175.76 177.32 1jty h LYS 73 N 8.20 0.36 -6.47 0.00 1.79 -1.84 -3.44 116.57 115.17 1jty h LYS 73 Ca -0.38 -0.59 -0.67 0.00 -2.18 0.00 0.00 60.65 56.84 1jty h LYS 73 Cb 1.16 0.21 -0.16 0.00 -1.58 0.00 0.00 32.23 31.86 1jty h LYS 73 CO 0.59 1.27 -0.73 0.95 -1.08 0.00 0.00 179.45 180.45 1jty s THR 74 N -2.72 3.45 0.25 -0.16 -4.23 -1.26 -5.00 115.64 105.96 1jty s THR 74 Ca -0.06 -1.12 -0.04 0.00 -1.18 0.00 0.00 61.69 59.30 1jty s THR 74 Cb 0.06 -2.58 0.24 0.00 1.34 0.00 0.00 72.50 71.57 1jty s THR 74 CO 0.90 0.20 1.86 0.78 -0.54 0.00 0.00 174.62 177.81 1jty h ASN 75 N 3.88 0.91 -1.14 3.99 2.35 -1.89 0.64 115.58 124.32 1jty h ASN 75 Ca -0.49 0.02 0.34 0.00 -0.55 0.00 0.00 56.30 55.63 1jty h ASN 75 Cb 1.17 -0.17 -0.12 0.00 0.05 0.00 0.00 38.32 39.25 1jty h ASN 75 CO 0.53 0.56 0.71 0.03 -1.65 0.00 0.00 177.43 177.62 1jty h ARG 76 N 1.03 0.25 0.00 0.81 2.47 -1.95 0.06 114.38 117.05 1jty h ARG 76 Ca 0.41 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.11 1jty h ARG 76 Cb 0.22 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 1jty h ARG 76 CO -0.19 0.17 -0.10 0.93 0.56 0.00 0.00 179.97 181.34 1jty h GLU 77 N 0.26 0.00 -1.16 0.04 5.08 -0.25 -3.21 114.58 115.33 1jty h GLU 77 Ca 0.72 0.00 0.43 0.00 -1.00 0.00 0.00 59.36 59.50 1jty h GLU 77 Cb 1.95 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 31.05 1jty h GLU 77 CO -0.42 0.00 0.71 1.63 -1.00 0.00 0.00 179.01 179.93 1jty n LYS 78 N -4.62 -0.04 0.42 2.33 5.02 0.35 0.15 118.16 121.77 1jty n LYS 78 Ca -0.01 1.23 -0.19 0.00 -2.02 0.00 0.00 58.31 57.32 1jty n LYS 78 Cb 0.05 -2.33 -0.09 0.00 -0.02 0.00 0.00 35.03 32.64 1jty n LYS 78 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1jty h PHE 79 N 0.00 -0.97 -0.41 2.13 3.57 -1.12 -0.73 116.94 119.41 1jty h PHE 79 Ca 0.82 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 62.38 1jty h PHE 79 Cb 2.46 0.32 -0.09 0.00 2.79 0.00 0.00 35.95 41.43 1jty h PHE 79 CO -0.01 -0.60 -0.25 1.88 -2.23 0.00 0.00 178.31 177.10 1jty h TYR 80 N -1.08 -0.67 0.56 0.41 0.05 0.14 -2.36 116.97 114.02 1jty h TYR 80 Ca -0.11 0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.70 1jty h TYR 80 Cb 0.81 0.36 -0.00 0.00 1.01 0.00 0.00 36.73 38.90 1jty h TYR 80 CO -0.01 -0.33 -0.35 1.25 -1.05 0.00 0.00 178.16 177.67 1jty h LEU 81 N -0.18 -0.90 -0.32 3.88 5.85 -0.96 -2.85 115.31 119.83 1jty h LEU 81 Ca 0.19 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.99 1jty h LEU 81 Cb 0.48 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 1jty h LEU 81 CO -0.51 -0.54 -0.19 0.00 -0.34 0.00 0.00 178.44 176.86 1jty n TYR 82 N -4.59 -0.14 -0.29 1.25 9.36 -0.29 -0.63 117.16 121.84 1jty n TYR 82 Ca -0.10 0.40 0.11 0.00 3.32 0.00 0.00 57.90 61.63 1jty n TYR 82 Cb 0.36 -0.46 0.27 0.00 -0.63 0.00 0.00 39.34 38.87 1jty n TYR 82 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1jty h ASN 83 N 0.00 0.00 -0.35 2.98 -0.26 -1.44 0.66 115.58 117.18 1jty h ASN 83 Ca 0.05 0.19 -0.08 0.00 -0.56 0.00 0.00 56.30 55.90 1jty h ASN 83 Cb 0.13 0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 1jty h ASN 83 CO -0.30 -0.13 -0.08 -0.08 -1.06 0.00 0.00 177.43 175.78 1jty h GLU 84 N 0.22 0.67 -0.74 0.81 4.81 -0.63 -2.89 114.58 116.85 1jty h GLU 84 Ca 0.53 -0.25 0.12 0.00 -0.13 0.00 0.00 59.36 59.62 1jty h GLU 84 Cb 1.03 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 30.28 1jty h GLU 84 CO -0.63 0.83 0.33 -0.07 -0.73 0.00 0.00 179.01 178.74 1jty h LEU 85 N 0.46 0.36 -1.32 1.64 4.07 0.13 -0.80 115.31 119.86 1jty h LEU 85 Ca 0.09 0.09 0.34 0.00 0.08 0.00 0.00 57.88 58.48 1jty h LEU 85 Cb 0.58 0.04 -0.12 0.00 1.08 0.00 0.00 40.66 42.24 1jty h LEU 85 CO 0.03 0.17 0.72 0.28 -1.08 0.00 0.00 178.44 178.57 1jty h SER 86 N 0.51 0.38 -0.23 -0.43 0.02 -0.96 0.45 113.55 113.31 1jty h SER 86 Ca 0.39 0.12 -0.20 0.00 -0.84 0.00 0.00 61.79 61.26 1jty h SER 86 Cb 0.52 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1jty h SER 86 CO -0.35 -0.05 -0.63 -0.07 -1.14 0.00 0.00 176.83 174.59 1jty h LEU 87 N 0.27 0.96 0.11 5.07 3.38 -1.20 -3.36 115.31 120.54 1jty h LEU 87 Ca 0.70 -0.56 -0.34 0.00 0.09 0.00 0.00 57.88 57.77 1jty h LEU 87 Cb 1.93 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.38 1jty h LEU 87 CO -0.39 1.36 -1.85 0.71 0.09 0.00 0.00 178.44 178.35 1jty h THR 88 N 0.62 0.77 -3.07 0.22 1.35 -0.70 -3.48 112.91 108.62 1jty h THR 88 Ca -0.01 -2.49 -0.58 0.00 -0.55 0.00 0.00 66.41 62.78 1jty h THR 88 Cb 1.25 2.55 0.17 0.00 -1.73 0.00 0.00 68.15 70.39 1jty h THR 88 CO 0.14 0.80 -0.32 1.07 -0.25 0.00 0.00 175.52 176.96 1jty n THR 89 N -3.40 2.45 -0.33 6.82 5.66 0.13 -4.92 114.28 120.68 1jty n THR 89 Ca -0.26 -0.49 0.07 0.00 -3.05 0.00 0.00 64.05 60.32 1jty n THR 89 Cb 1.05 -0.75 0.21 0.00 -1.55 0.00 0.00 70.33 69.29 1jty n THR 89 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1jty n GLU 90 N -0.26 2.93 -4.67 1.09 0.28 -1.26 -4.75 120.64 114.00 1jty n GLU 90 Ca 0.12 -2.31 -0.34 0.00 -0.16 0.00 0.00 57.16 54.47 1jty n GLU 90 Cb 0.48 -1.43 -0.12 0.00 1.43 0.00 0.00 31.44 31.80 1jty n GLU 90 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1jty s TYR 91 N -1.26 2.90 0.00 -1.84 1.51 -1.26 -4.69 117.35 112.71 1jty s TYR 91 Ca 0.32 -0.01 0.00 0.00 -1.01 0.00 0.00 57.07 56.37 1jty s TYR 91 Cb 0.18 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 40.34 1jty s TYR 91 CO 0.19 0.31 0.00 0.98 -1.11 0.00 0.00 175.55 175.92 1jty n TYR 92 N 2.23 0.00 -0.62 2.71 -0.00 -1.26 -4.29 117.16 115.93 1jty n TYR 92 Ca -0.18 0.00 0.49 0.00 -0.00 0.00 0.00 57.90 58.21 1jty n TYR 92 Cb 0.53 0.00 0.79 0.00 -0.00 0.00 0.00 39.34 40.66 1jty n TYR 92 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.86 178.74 1jty h TYR 93 N 0.00 0.10 0.00 2.98 0.05 -1.90 0.14 116.97 118.34 1jty h TYR 93 Ca 0.00 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 1jty h TYR 93 Cb 0.00 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 1jty h TYR 93 CO 0.00 -0.04 -0.63 -1.35 -1.05 0.00 0.00 178.16 175.09 1jty h PRO 94 N 0.01 0.00 -0.01 4.88 0.11 -1.84 -3.24 132.00 131.91 1jty h PRO 94 Ca 0.88 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.99 1jty h PRO 94 Cb 3.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 34.51 1jty h PRO 94 CO -0.09 0.63 -0.01 1.28 -0.21 0.00 0.00 178.00 179.59 1jty n LEU 95 N -3.33 0.92 -0.34 2.35 4.77 0.48 -4.48 117.00 117.37 1jty n LEU 95 Ca 0.01 -0.29 0.04 0.00 -0.03 0.00 0.00 56.01 55.73 1jty n LEU 95 Cb 0.75 -0.02 0.10 0.00 -2.33 0.00 0.00 43.42 41.93 1jty n LEU 95 CO 0.42 0.15 0.60 0.00 -1.33 0.00 0.00 177.39 177.23 1jty n GLN 96 N -0.32 -0.12 0.09 3.23 1.13 -1.18 -0.99 117.38 119.23 1jty n GLN 96 Ca 0.20 1.45 -0.13 0.00 -1.94 0.00 0.00 57.00 56.58 1jty n GLN 96 Cb 0.27 -2.16 -0.08 0.00 0.11 0.00 0.00 30.24 28.38 1jty n GLN 96 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 1jty h ASN 97 N 0.00 -0.15 -0.59 1.08 -1.24 -1.88 -0.04 115.58 112.77 1jty h ASN 97 Ca 0.41 -0.07 0.15 0.00 0.71 0.00 0.00 56.30 57.51 1jty h ASN 97 Cb 0.65 0.04 -0.03 0.00 0.73 0.00 0.00 38.32 39.71 1jty h ASN 97 CO -0.95 -0.03 0.41 0.00 -1.29 0.00 0.00 177.43 175.58 1jty h ALA 98 N 0.60 2.43 0.01 1.57 0.00 -1.32 -2.25 119.26 120.30 1jty h ALA 98 Ca -0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1jty h ALA 98 Cb 0.21 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1jty h ALA 98 CO 0.03 -0.59 -0.27 0.82 0.00 0.00 0.00 179.25 179.24 1jty h ILE 99 N 0.09 1.58 -0.95 0.00 2.04 -0.17 -0.84 117.51 119.25 1jty h ILE 99 Ca 0.28 -2.05 0.09 0.00 1.00 0.00 0.00 64.86 64.18 1jty h ILE 99 Cb 0.99 2.89 -0.07 0.00 -0.74 0.00 0.00 36.82 39.89 1jty h ILE 99 CO -0.03 0.56 0.59 0.16 0.00 0.00 0.00 178.15 179.43 1jty h ILE 100 N -0.55 0.98 0.16 -0.67 3.07 -0.65 -0.33 117.51 119.51 1jty h ILE 100 Ca -0.04 -0.34 -0.01 0.00 1.55 0.00 0.00 64.86 66.02 1jty h ILE 100 Cb 1.07 -0.11 0.00 0.00 -0.27 0.00 0.00 36.82 37.51 1jty h ILE 100 CO 0.05 0.18 -0.08 -0.33 -1.05 0.00 0.00 178.15 176.93 1jty h GLU 101 N 1.00 -0.20 -1.49 0.16 5.08 -1.45 -0.13 114.58 117.56 1jty h GLU 101 Ca 0.44 0.01 0.43 0.00 -1.00 0.00 0.00 59.36 59.25 1jty h GLU 101 Cb 0.33 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 1jty h GLU 101 CO -0.22 -0.13 1.07 0.35 -1.00 0.00 0.00 179.01 179.07 1jty h PHE 102 N -0.22 0.00 0.08 4.33 3.04 -0.96 0.11 116.94 123.32 1jty h PHE 102 Ca -0.02 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.92 1jty h PHE 102 Cb 0.16 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.67 1jty h PHE 102 CO 0.19 0.00 -0.04 -0.92 -2.02 0.00 0.00 178.31 175.52 1jty h TYR 103 N 0.00 -0.10 -0.77 0.41 -0.00 -0.86 -2.39 116.97 113.26 1jty h TYR 103 Ca 0.71 -0.00 0.16 0.00 -0.00 0.00 0.00 58.73 59.59 1jty h TYR 103 Cb 2.84 0.03 -0.11 0.00 -0.00 0.00 0.00 36.73 39.49 1jty h TYR 103 CO 0.00 0.39 0.26 1.79 -0.00 0.00 0.00 178.16 180.60 1jty h THR 104 N -0.94 0.57 0.35 1.81 1.35 0.11 0.37 112.91 116.52 1jty h THR 104 Ca -0.01 -0.12 -0.02 0.00 -0.55 0.00 0.00 66.41 65.71 1jty h THR 104 Cb 0.53 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.12 1jty h THR 104 CO 0.02 0.07 -0.17 -0.08 -0.25 0.00 0.00 175.52 175.10 1jty h GLU 105 N 0.36 -0.46 -0.61 4.72 4.81 -1.22 -3.25 114.58 118.94 1jty h GLU 105 Ca 0.44 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.69 1jty h GLU 105 Cb 0.73 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 1jty h GLU 105 CO -0.47 -0.19 0.01 0.66 -0.73 0.00 0.00 179.01 178.29 1jty n TYR 106 N -5.21 1.98 0.29 0.92 4.01 -0.90 -4.57 117.16 113.67 1jty n TYR 106 Ca -0.10 -0.69 0.17 0.00 -0.16 0.00 0.00 57.90 57.12 1jty n TYR 106 Cb 0.26 -0.50 0.86 0.00 -0.31 0.00 0.00 39.34 39.65 1jty n TYR 106 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 1jty h TYR 107 N 3.71 0.00 -0.02 -0.72 -0.00 -0.30 -2.09 116.97 117.55 1jty h TYR 107 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.74 1jty h TYR 107 Cb 1.91 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.64 1jty h TYR 107 CO 1.04 0.00 -0.43 1.63 -0.00 0.00 0.00 178.16 180.40 1jty n LYS 108 N -2.75 1.31 -2.79 0.10 4.76 -1.26 -4.87 118.16 112.66 1jty n LYS 108 Ca -0.01 -1.08 -0.43 0.00 -2.87 0.00 0.00 58.31 53.92 1jty n LYS 108 Cb 0.12 -1.48 -0.04 0.00 -1.84 0.00 0.00 35.03 31.80 1jty n LYS 108 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1jty s THR 109 N -2.44 4.48 0.17 -0.18 2.01 -0.79 -4.95 115.64 113.95 1jty s THR 109 Ca 0.19 0.95 -0.24 0.00 0.31 0.00 0.00 61.69 62.91 1jty s THR 109 Cb 0.18 -4.42 0.04 0.00 0.01 0.00 0.00 72.50 68.31 1jty s THR 109 CO 0.55 -0.76 1.40 0.59 -0.69 0.00 0.00 174.62 175.71 1jty n ASN 110 N 7.11 -0.82 0.04 3.53 5.03 -1.26 -2.16 115.26 126.73 1jty n ASN 110 Ca 0.07 1.60 -0.02 0.00 0.87 0.00 0.00 54.58 57.10 1jty n ASN 110 Cb 0.48 -0.27 -0.01 0.00 -1.02 0.00 0.00 39.78 38.97 1jty n ASN 110 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1jty h SER 111 N 0.00 -0.18 0.00 6.41 4.64 -1.95 -2.57 113.55 119.91 1jty h SER 111 Ca 0.21 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1jty h SER 111 Cb 0.43 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1jty h SER 111 CO -0.87 -0.09 0.00 -0.38 -0.87 0.00 0.00 176.83 174.62 1jty n ILE 112 N -2.67 0.41 0.00 0.95 5.41 -0.98 -2.45 119.36 120.03 1jty n ILE 112 Ca -0.02 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.69 1jty n ILE 112 Cb 0.06 -0.81 0.00 0.00 -0.71 0.00 0.00 39.64 38.18 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 1.16 0.69 0.23 4.38 5.15 -0.92 -4.67 115.26 121.27 1jty n ASN 113 Ca 0.00 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.84 1jty n ASN 113 Cb 0.16 0.06 -0.07 0.00 -0.53 0.00 0.00 39.78 39.39 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 0.00 -0.58 0.37 1.20 4.81 -1.15 -2.37 114.58 116.86 1jty h GLU 114 Ca 0.00 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1jty h GLU 114 Cb 0.14 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1jty h GLU 114 CO 0.00 -0.27 -0.42 0.87 -0.73 0.00 0.00 179.01 178.45 1jty h LYS 115 N -0.93 -0.78 -0.22 1.92 1.79 -1.88 -1.04 116.57 115.43 1jty h LYS 115 Ca -0.06 0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1jty h LYS 115 Cb 0.57 0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 31.37 1jty h LYS 115 CO 0.10 -0.52 -0.13 -0.12 -1.08 0.00 0.00 179.45 177.70 1jty n MET 116 N -4.97 -0.10 -0.18 3.15 1.56 -1.22 0.20 117.12 115.57 1jty n MET 116 Ca -0.10 0.42 -0.08 0.00 -0.27 0.00 0.00 57.70 57.67 1jty n MET 116 Cb 0.38 -0.61 0.01 0.00 2.15 0.00 0.00 33.22 35.15 1jty n MET 116 CO 0.00 0.00 0.00 -0.91 -0.73 0.00 0.00 175.97 174.33 1jty h ASN 117 N 0.00 0.69 -0.85 6.12 4.21 -1.09 0.63 115.58 125.29 1jty h ASN 117 Ca 0.04 -0.16 0.08 0.00 1.21 0.00 0.00 56.30 57.46 1jty h ASN 117 Cb 0.09 -0.18 -0.06 0.00 -1.12 0.00 0.00 38.32 37.06 1jty h ASN 117 CO -0.21 0.66 0.55 0.11 -1.29 0.00 0.00 177.43 177.25 1jty h LYS 118 N 0.67 0.86 0.33 0.81 1.57 0.37 0.16 116.57 121.34 1jty h LYS 118 Ca 0.17 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1jty h LYS 118 Cb 0.18 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1jty h LYS 118 CO -0.02 0.57 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.20 1jty h LEU 119 N 0.88 -0.37 0.00 2.94 3.38 -0.08 -2.02 115.31 120.04 1jty h LEU 119 Ca 0.38 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1jty h LEU 119 Cb 0.31 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1jty h LEU 119 CO -0.15 -0.04 0.18 -0.62 0.09 0.00 0.00 178.44 177.91 1jty n GLU 120 N -4.46 0.00 -0.12 1.13 4.71 0.18 -0.05 120.64 122.03 1jty n GLU 120 Ca -0.05 0.17 -0.24 0.00 -0.01 0.00 0.00 57.16 57.03 1jty n GLU 120 Cb 0.17 -1.68 -0.09 0.00 -1.01 0.00 0.00 31.44 28.83 1jty n GLU 120 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1jty n ASN 121 N -1.09 1.92 -0.13 1.62 5.03 0.52 -3.74 115.26 119.39 1jty n ASN 121 Ca 0.00 0.38 -0.05 0.00 0.87 0.00 0.00 54.58 55.79 1jty n ASN 121 Cb 0.18 -0.86 0.02 0.00 -1.02 0.00 0.00 39.78 38.10 1jty n ASN 121 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 1jty h LYS 122 N -1.00 -0.06 -0.23 3.52 1.57 0.29 0.15 116.57 120.82 1jty h LYS 122 Ca -0.49 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.36 1jty h LYS 122 Cb 1.40 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.65 1jty h LYS 122 CO -0.29 -0.04 -0.34 1.88 -0.57 0.00 0.00 179.45 180.09 1jty h TYR 123 N -0.06 -0.95 -0.02 -1.35 0.99 -1.59 -1.08 116.97 112.91 1jty h TYR 123 Ca 0.20 0.05 -0.04 0.00 2.00 0.00 0.00 58.73 60.94 1jty h TYR 123 Cb 0.37 0.45 -0.01 0.00 1.00 0.00 0.00 36.73 38.55 1jty h TYR 123 CO -0.41 -0.41 -0.20 0.97 -0.00 0.00 0.00 178.16 178.12 1jty h ILE 124 N -0.36 1.15 0.00 -2.88 2.10 -1.39 -2.51 117.51 113.62 1jty h ILE 124 Ca 0.12 -0.72 0.00 0.00 1.08 0.00 0.00 64.86 65.34 1jty h ILE 124 Cb 0.56 1.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.65 1jty h ILE 124 CO -0.43 0.21 0.12 -0.67 -1.08 0.00 0.00 178.15 176.30 1jty n ASP 125 N -4.29 0.22 0.41 2.19 2.03 0.44 -1.49 116.55 116.06 1jty n ASP 125 Ca -0.02 0.53 -0.16 0.00 0.52 0.00 0.00 54.79 55.66 1jty n ASP 125 Cb 0.27 -0.54 -0.08 0.00 -0.72 0.00 0.00 41.12 40.06 1jty n ASP 125 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jty h ALA 126 N 1.61 -1.28 -0.70 -1.67 0.00 -1.48 -2.18 119.26 113.57 1jty h ALA 126 Ca 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.76 1jty h ALA 126 Cb 0.24 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 1jty h ALA 126 CO 0.00 -1.20 0.36 1.88 0.00 0.00 0.00 179.25 180.29 1jty h TYR 127 N -1.04 0.66 -0.32 0.00 0.05 -1.49 -2.57 116.97 112.25 1jty h TYR 127 Ca -0.11 0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.76 1jty h TYR 127 Cb 0.80 -0.19 -0.08 0.00 1.01 0.00 0.00 36.73 38.27 1jty h TYR 127 CO 0.05 0.27 -0.42 1.25 -1.05 0.00 0.00 178.16 178.25 1jty h HIS 128 N 0.64 -1.22 0.34 4.88 2.76 -1.42 0.52 115.15 121.64 1jty h HIS 128 Ca 0.33 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.56 1jty h HIS 128 Cb 0.30 0.58 -0.02 0.00 1.55 0.00 0.00 27.41 29.82 1jty h HIS 128 CO -0.10 -0.45 -0.43 0.28 -1.30 0.00 0.00 177.93 175.94 1jty h VAL 129 N -0.37 0.00 -0.94 5.26 2.07 -1.12 0.19 116.25 121.33 1jty h VAL 129 Ca 0.12 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.92 1jty h VAL 129 Cb 0.59 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.21 1jty h VAL 129 CO -0.52 0.00 0.38 0.40 0.02 0.00 0.00 177.57 177.86 1jty h ILE 130 N -0.79 0.28 0.02 4.57 2.04 -0.99 0.19 117.51 122.84 1jty h ILE 130 Ca -0.04 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1jty h ILE 130 Cb 0.71 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1jty h ILE 130 CO -0.10 0.04 -0.01 -0.26 0.00 0.00 0.00 178.15 177.82 1jty h PHE 131 N 0.24 -0.03 -0.31 1.37 0.04 0.44 -2.30 116.94 116.39 1jty h PHE 131 Ca 0.65 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.47 1jty h PHE 131 Cb 1.41 0.01 -0.05 0.00 2.20 0.00 0.00 35.95 39.51 1jty h PHE 131 CO -0.15 0.69 -0.03 -0.22 -0.60 0.00 0.00 178.31 177.99 1jty h LYS 132 N -0.81 0.05 -0.40 1.51 3.64 0.18 0.13 116.57 120.87 1jty h LYS 132 Ca -0.00 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1jty h LYS 132 Cb 0.73 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 1jty h LYS 132 CO 0.00 0.03 0.20 1.49 -2.27 0.00 0.00 179.45 178.90 1jty h GLU 133 N 0.05 0.39 -0.37 1.90 4.57 -0.75 -0.84 114.58 119.52 1jty h GLU 133 Ca 0.15 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1jty h GLU 133 Cb 0.22 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 1jty h GLU 133 CO -0.28 0.26 0.22 0.78 -1.18 0.00 0.00 179.01 178.80 1jty h GLY 134 N 0.40 0.53 0.00 1.92 0.00 -0.76 -0.73 103.07 104.44 1jty h GLY 134 Ca 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1jty h GLY 134 CO -0.13 0.21 0.00 0.70 0.00 0.00 0.00 176.54 177.32 1jty n ASN 135 N -4.46 0.00 0.11 0.19 3.02 0.38 -1.22 115.26 113.28 1jty n ASN 135 Ca 0.02 0.67 0.04 0.00 -0.03 0.00 0.00 54.58 55.29 1jty n ASN 135 Cb 0.08 -0.17 0.46 0.00 -0.61 0.00 0.00 39.78 39.54 1jty n ASN 135 CO 0.00 0.00 0.00 0.17 -2.62 0.00 0.00 177.26 174.81 1jty h LEU 136 N 0.00 0.26 -0.21 3.41 8.10 -1.57 -0.82 115.31 124.48 1jty h LEU 136 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 57.88 57.96 1jty h LEU 136 Cb 0.00 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.15 1jty h LEU 136 CO 0.00 0.28 0.00 0.59 -4.11 0.00 0.00 178.44 175.20 1jty n ASN 137 N -4.41 0.05 -0.74 0.17 3.02 -0.28 -4.73 115.26 108.33 1jty n ASN 137 Ca 0.00 -0.46 -0.07 0.00 -0.03 0.00 0.00 54.58 54.02 1jty n ASN 137 Cb 0.15 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 1jty n ASN 137 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jty n GLY 138 N -0.13 0.65 0.17 7.41 0.00 -0.31 -4.74 105.19 108.22 1jty n GLY 138 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.32 -3.47 114.58 116.48 1jty h GLU 139 Ca -0.14 0.00 0.31 0.00 -1.00 0.00 0.00 59.36 58.53 1jty h GLU 139 Cb 0.71 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.90 1jty h GLU 139 CO 0.20 0.00 0.78 -2.67 -1.00 0.00 0.00 179.01 176.32 1jty n TRP 140 N -2.57 -0.11 -3.51 4.33 2.14 -1.23 -5.02 117.44 111.47 1jty n TRP 140 Ca 0.03 -0.45 -0.24 0.00 2.07 0.00 0.00 57.50 58.91 1jty n TRP 140 Cb 0.37 0.20 -0.14 0.00 -0.81 0.00 0.00 31.31 30.93 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 -3.33 2.52 -0.20 -0.67 0.15 -1.26 -4.28 113.70 106.63 1jty s SER 141 Ca 0.25 -0.87 -0.15 0.00 0.70 0.00 0.00 55.95 55.88 1jty s SER 141 Cb -0.00 0.00 -0.04 0.00 -1.71 0.00 0.00 66.02 64.27 1jty s SER 141 CO -0.02 -0.39 0.36 -0.63 1.20 0.00 0.00 173.24 173.76 1jty s ILE 142 N 2.21 5.23 0.00 6.45 1.01 -1.26 -4.93 121.20 129.90 1jty s ILE 142 Ca 0.08 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1jty s ILE 142 Cb -0.15 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.62 1jty s ILE 142 CO -0.27 0.27 0.73 -0.46 0.00 0.00 0.00 174.94 175.21 1jty n ASN 143 N 4.39 0.00 -4.13 3.58 6.94 -1.26 -4.44 115.26 120.34 1jty n ASN 143 Ca -0.09 0.73 -0.34 0.00 -0.02 0.00 0.00 54.58 54.85 1jty n ASN 143 Cb 0.51 -0.23 -0.14 0.00 -2.36 0.00 0.00 39.78 37.57 1jty n ASN 143 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1jty s ASP 144 N -2.27 4.88 0.07 0.53 2.15 -1.26 -4.99 116.67 115.77 1jty s ASP 144 Ca 0.00 -1.55 -0.36 0.00 0.43 0.00 0.00 52.55 51.07 1jty s ASP 144 Cb 0.00 -1.70 -0.19 0.00 -0.30 0.00 0.00 42.92 40.73 1jty s ASP 144 CO 0.00 -0.32 1.59 0.58 -0.17 0.00 0.00 175.17 176.85 1jty h VAL 145 N 6.51 0.14 -1.87 1.11 2.07 -2.00 -3.00 116.25 119.21 1jty h VAL 145 Ca -0.17 0.00 0.55 0.00 0.82 0.00 0.00 66.70 67.90 1jty h VAL 145 Cb 1.05 0.14 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 1jty h VAL 145 CO 0.55 0.00 1.34 -1.13 0.02 0.00 0.00 177.57 178.35 1jty h ASN 146 N -1.13 0.01 0.00 0.57 -1.24 -1.95 -1.27 115.58 110.56 1jty h ASN 146 Ca -0.11 0.01 -0.13 0.00 0.71 0.00 0.00 56.30 56.78 1jty h ASN 146 Cb 0.88 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.92 1jty h ASN 146 CO 0.16 -0.02 -0.75 0.00 -1.29 0.00 0.00 177.43 175.53 1jty h ALA 147 N 1.09 0.15 -0.55 1.57 0.00 -1.97 -3.24 119.26 116.31 1jty h ALA 147 Ca 0.90 -0.88 0.09 0.00 0.00 0.00 0.00 54.91 55.02 1jty h ALA 147 Cb 3.57 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 21.79 1jty h ALA 147 CO -0.04 0.44 0.37 0.28 0.00 0.00 0.00 179.25 180.30 1jty h VAL 148 N -1.00 0.91 0.00 0.00 2.07 -1.27 0.82 116.25 117.78 1jty h VAL 148 Ca -0.20 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1jty h VAL 148 Cb 1.09 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1jty h VAL 148 CO -0.12 0.07 -0.16 0.28 0.02 0.00 0.00 177.57 177.66 1jty h SER 149 N 0.38 0.00 0.30 0.57 0.02 -1.41 0.40 113.55 113.80 1jty h SER 149 Ca 0.25 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.87 1jty h SER 149 Cb 0.50 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 1jty h SER 149 CO -0.06 0.16 -1.68 0.50 -1.14 0.00 0.00 176.83 174.61 1jty h LYS 150 N 0.00 0.32 0.47 3.45 3.64 0.36 -3.12 116.57 121.69 1jty h LYS 150 Ca -0.00 -0.55 -0.02 0.00 -1.27 0.00 0.00 60.65 58.81 1jty h LYS 150 Cb 0.54 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1jty h LYS 150 CO 0.02 1.21 -0.23 0.82 -2.27 0.00 0.00 179.45 179.00 1jty h ILE 151 N 0.09 0.43 -0.40 2.00 2.04 0.50 -2.79 117.51 119.37 1jty h ILE 151 Ca -0.31 -0.43 0.08 0.00 1.00 0.00 0.00 64.86 65.20 1jty h ILE 151 Cb 2.06 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 38.66 1jty h ILE 151 CO 0.16 0.06 -0.08 0.00 0.00 0.00 0.00 178.15 178.30 1jty h ALA 152 N -0.58 0.29 -0.85 1.87 0.00 -0.39 0.19 119.26 119.78 1jty h ALA 152 Ca -0.06 0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.10 1jty h ALA 152 Cb 0.59 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 1jty h ALA 152 CO 0.11 -0.44 0.48 0.00 0.00 0.00 0.00 179.25 179.39 1jty h ALA 153 N 1.39 1.24 0.01 0.00 0.00 -1.57 0.96 119.26 121.28 1jty h ALA 153 Ca 0.19 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.95 1jty h ALA 153 Cb 0.29 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1jty h ALA 153 CO -0.39 0.07 -0.91 -0.91 0.00 0.00 0.00 179.25 177.10 1jty h ASN 154 N 0.77 0.08 0.09 0.00 2.35 -1.09 -2.41 115.58 115.37 1jty h ASN 154 Ca 0.42 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 56.09 1jty h ASN 154 Cb 0.45 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1jty h ASN 154 CO -0.28 0.95 -0.04 0.00 -1.65 0.00 0.00 177.43 176.41 1jty h ALA 155 N 1.04 -0.12 0.25 -0.83 0.00 -0.30 -2.48 119.26 116.82 1jty h ALA 155 Ca -0.03 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1jty h ALA 155 Cb 1.59 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 1jty h ALA 155 CO 0.13 -0.39 -0.31 0.28 0.00 0.00 0.00 179.25 178.96 1jty h VAL 156 N -0.48 0.35 -0.99 0.00 2.07 -0.90 -2.24 116.25 114.07 1jty h VAL 156 Ca -0.01 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.83 1jty h VAL 156 Cb 0.40 0.35 -0.15 0.00 -1.52 0.00 0.00 31.29 30.37 1jty h VAL 156 CO 0.02 0.00 0.53 -1.13 0.02 0.00 0.00 177.57 177.01 1jty h ASN 157 N -0.61 0.45 -0.24 0.57 -0.73 -1.43 0.25 115.58 113.83 1jty h ASN 157 Ca -0.00 0.20 -0.12 0.00 1.87 0.00 0.00 56.30 58.25 1jty h ASN 157 Cb 0.58 0.16 -0.00 0.00 0.27 0.00 0.00 38.32 39.33 1jty h ASN 157 CO -0.10 -0.16 -0.31 1.23 -0.37 0.00 0.00 177.43 177.72 1jty h GLY 158 N 0.29 0.69 1.41 1.57 0.00 -1.04 0.18 103.07 106.16 1jty h GLY 158 Ca 0.73 -0.74 0.02 0.00 0.00 0.00 0.00 47.33 47.34 1jty h GLY 158 CO -0.63 0.67 0.36 -2.22 0.00 0.00 0.00 176.54 174.72 1jty h ILE 159 N 0.34 1.09 0.07 2.60 2.04 -0.02 0.20 117.51 123.83 1jty h ILE 159 Ca 0.03 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1jty h ILE 159 Cb 0.88 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1jty h ILE 159 CO 0.07 0.12 -0.03 0.58 0.00 0.00 0.00 178.15 178.89 1jty h VAL 160 N 0.67 0.92 -0.63 1.67 2.07 -0.87 -3.33 116.25 116.75 1jty h VAL 160 Ca 0.21 -1.47 -0.08 0.00 0.82 0.00 0.00 66.70 66.18 1jty h VAL 160 Cb 0.02 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1jty h VAL 160 CO -0.05 0.28 0.09 0.74 0.02 0.00 0.00 177.57 178.65 1jty h THR 161 N -0.94 1.26 -0.15 2.57 2.02 -0.57 -3.18 112.91 113.92 1jty h THR 161 Ca -0.01 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.12 1jty h THR 161 Cb 0.54 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1jty h THR 161 CO 0.02 0.38 0.02 0.49 0.37 0.00 0.00 175.52 176.80 1jty n PHE 162 N -4.25 0.53 -1.73 3.16 3.01 0.68 -3.52 117.46 115.33 1jty n PHE 162 Ca 0.03 -0.24 0.00 0.00 1.01 0.00 0.00 57.45 58.25 1jty n PHE 162 Cb 0.29 -0.22 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1jty n PHE 162 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1jty n THR 163 N 0.15 0.00 0.13 4.37 -2.24 -1.20 -4.89 114.28 110.59 1jty n THR 163 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1jty n THR 163 Cb 0.51 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 1jty n THR 163 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1jty n HIS 164 N 0.00 0.00 -0.04 4.78 8.25 -1.21 -2.76 115.22 124.24 1jty n HIS 164 Ca 0.00 -0.22 -0.09 0.00 -0.26 0.00 0.00 57.72 57.15 1jty n HIS 164 Cb 0.57 -0.22 -0.03 0.00 1.12 0.00 0.00 29.99 31.43 1jty n HIS 164 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1jty n GLU 165 N 1.23 0.27 -1.15 -0.41 1.02 -1.26 -5.10 120.64 115.24 1jty n GLU 165 Ca 0.00 0.11 -0.30 0.00 -0.02 0.00 0.00 57.16 56.96 1jty n GLU 165 Cb 0.16 -0.96 0.15 0.00 -0.02 0.00 0.00 31.44 30.76 1jty n GLU 165 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1jty s GLN 166 N -2.36 1.07 -0.17 3.49 -0.21 -1.11 -4.98 119.66 115.39 1jty s GLN 166 Ca -0.16 0.82 -0.36 0.00 0.02 0.00 0.00 55.36 55.68 1jty s GLN 166 Cb 0.04 -1.79 -0.13 0.00 1.00 0.00 0.00 33.01 32.14 1jty s GLN 166 CO 0.22 -2.37 1.88 -1.71 -2.12 0.00 0.00 175.29 171.19 1jty n ASN 167 N -3.98 3.04 -0.31 5.90 5.15 -1.26 -4.84 115.26 118.96 1jty n ASN 167 Ca 0.07 0.93 0.21 0.00 -0.60 0.00 0.00 54.58 55.19 1jty n ASN 167 Cb 0.55 -1.30 0.40 0.00 -0.53 0.00 0.00 39.78 38.90 1jty n ASN 167 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1jty n ILE 168 N 5.26 -0.39 0.04 -1.44 -0.00 -1.26 -1.54 119.36 120.03 1jty n ILE 168 Ca 0.26 1.97 -0.02 0.00 -0.00 0.00 0.00 62.75 64.95 1jty n ILE 168 Cb 0.25 -3.01 -0.01 0.00 -0.00 0.00 0.00 39.64 36.86 1jty n ILE 168 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.55 177.33 1jty h ASN 169 N 0.00 -0.15 -0.90 4.38 4.21 -1.99 -1.86 115.58 119.27 1jty h ASN 169 Ca 0.66 0.01 0.20 0.00 1.21 0.00 0.00 56.30 58.39 1jty h ASN 169 Cb 1.58 0.05 -0.17 0.00 -1.12 0.00 0.00 38.32 38.66 1jty h ASN 169 CO -0.80 -0.08 -0.12 -0.08 -1.29 0.00 0.00 177.43 175.07 1jty h GLU 170 N -0.12 0.02 -0.18 0.81 4.81 -1.66 0.17 114.58 118.44 1jty h GLU 170 Ca -0.01 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1jty h GLU 170 Cb 0.10 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 1jty h GLU 170 CO -0.00 0.01 -0.25 0.00 -0.73 0.00 0.00 179.01 178.04 1jty h ARG 171 N 0.02 -0.29 0.00 1.92 3.08 -1.32 0.41 114.38 118.21 1jty h ARG 171 Ca 0.47 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.54 1jty h ARG 171 Cb 0.82 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.93 1jty h ARG 171 CO -0.88 -0.19 0.00 0.82 -1.07 0.00 0.00 179.97 178.65 1jty h ILE 172 N -0.30 0.00 0.08 2.04 2.04 0.15 0.85 117.51 122.37 1jty h ILE 172 Ca 0.11 -0.11 -0.13 0.00 1.00 0.00 0.00 64.86 65.73 1jty h ILE 172 Cb 0.47 1.07 0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1jty h ILE 172 CO -0.35 0.00 -0.61 0.11 0.00 0.00 0.00 178.15 177.30 1jty h LYS 173 N 0.00 0.16 -0.94 2.37 1.57 0.55 -2.23 116.57 118.05 1jty h LYS 173 Ca 0.00 -0.28 0.03 0.00 -1.87 0.00 0.00 60.65 58.53 1jty h LYS 173 Cb 0.11 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 1jty h LYS 173 CO 0.00 1.13 0.62 -0.07 -0.57 0.00 0.00 179.45 180.56 1jty h LEU 174 N -0.64 1.04 -0.74 2.94 3.38 0.43 -0.26 115.31 121.46 1jty h LEU 174 Ca -0.12 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 1jty h LEU 174 Cb 1.40 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1jty h LEU 174 CO 0.06 0.72 -0.28 -0.03 0.09 0.00 0.00 178.44 179.00 1jty h MET 175 N 1.21 0.66 -0.28 1.13 4.05 -0.94 -1.60 114.93 119.15 1jty h MET 175 Ca 0.37 -0.28 -0.14 0.00 -0.28 0.00 0.00 59.70 59.37 1jty h MET 175 Cb -0.03 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 1jty h MET 175 CO -0.10 0.87 -0.40 -0.91 0.23 0.00 0.00 176.91 176.59 1jty h ASN 176 N 0.57 0.72 0.41 1.39 2.35 -0.64 0.17 115.58 120.55 1jty h ASN 176 Ca 0.07 -0.32 -0.02 0.00 -0.55 0.00 0.00 56.30 55.48 1jty h ASN 176 Cb 0.77 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1jty h ASN 176 CO 0.06 1.03 -0.19 0.50 -1.65 0.00 0.00 177.43 177.18 1jty h LYS 177 N 0.55 -0.52 -0.03 0.81 1.63 -0.89 0.17 116.57 118.30 1jty h LYS 177 Ca 0.05 0.04 0.03 0.00 -0.85 0.00 0.00 60.65 59.91 1jty h LYS 177 Cb 0.93 0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 32.62 1jty h LYS 177 CO 0.08 -0.25 -0.48 0.35 -3.45 0.00 0.00 179.45 175.70 1jty h PHE 178 N -0.73 -1.38 -0.87 1.91 3.57 -1.28 0.49 116.94 118.65 1jty h PHE 178 Ca -0.06 0.05 0.23 0.00 3.53 0.00 0.00 57.97 61.72 1jty h PHE 178 Cb 0.51 0.61 -0.15 0.00 2.79 0.00 0.00 35.95 39.71 1jty h PHE 178 CO -0.01 -0.53 0.15 1.03 -2.23 0.00 0.00 178.31 176.72 1jty h SER 179 N -0.61 -0.16 0.48 0.41 0.87 -0.84 0.26 113.55 113.97 1jty h SER 179 Ca 0.04 0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 1jty h SER 179 Cb 0.69 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1jty h SER 179 CO -0.36 -0.20 -0.23 -0.61 -0.53 0.00 0.00 176.83 174.90 1jty h GLN 180 N 0.15 -0.63 0.00 2.24 4.15 0.83 -2.85 115.11 119.00 1jty h GLN 180 Ca 0.53 0.04 0.00 0.00 0.77 0.00 0.00 58.65 60.00 1jty h GLN 180 Cb 1.06 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1jty h GLN 180 CO -0.71 -0.37 0.00 -0.89 -1.93 0.00 0.00 178.83 174.94 1jty n ILE 181 N -5.33 0.00 -0.24 2.39 5.41 0.02 -1.43 119.36 120.18 1jty n ILE 181 Ca -0.11 1.33 0.04 0.00 1.00 0.00 0.00 62.75 65.01 1jty n ILE 181 Cb 0.29 -2.20 0.09 0.00 -0.71 0.00 0.00 39.64 37.11 1jty n ILE 181 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 1jty n PHE 182 N -1.73 0.22 0.05 1.39 -0.00 -0.07 0.50 117.46 117.81 1jty n PHE 182 Ca 0.00 0.80 -0.13 0.00 -0.00 0.00 0.00 57.45 58.12 1jty n PHE 182 Cb 0.00 -0.87 -0.09 0.00 -0.00 0.00 0.00 39.48 38.53 1jty n PHE 182 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1jty h LEU 183 N 0.00 -0.09 -0.48 -2.13 5.85 -1.44 -3.15 115.31 113.88 1jty h LEU 183 Ca 0.31 -0.24 0.08 0.00 0.84 0.00 0.00 57.88 58.86 1jty h LEU 183 Cb 0.47 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.46 1jty h LEU 183 CO -0.67 0.20 0.10 -1.13 -0.34 0.00 0.00 178.44 176.60 1jty h ASN 184 N -0.38 0.01 0.00 1.25 -0.73 0.12 -0.93 115.58 114.92 1jty h ASN 184 Ca -0.01 0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.24 1jty h ASN 184 Cb 0.33 0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.03 1jty h ASN 184 CO 0.02 0.04 0.00 0.61 -0.37 0.00 0.00 177.43 177.72 1jty n GLY 185 N -1.28 -0.03 2.31 1.57 0.00 0.65 -2.92 105.19 105.48 1jty n GLY 185 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.23 5.82 0.00 0.99 4.77 -0.36 -5.05 117.00 122.95 1jty n LEU 186 Ca 0.00 -4.77 0.00 0.00 -0.03 0.00 0.00 56.01 51.21 1jty n LEU 186 Cb 0.01 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1jty n LEU 186 CO 0.00 1.95 0.00 -0.24 -1.33 0.00 0.00 177.39 177.77