#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jup h LEU 3 N 0.00 0.00 -0.32 1.20 5.85 -1.99 1.50 115.31 121.55 1jup h LEU 3 Ca 0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 1jup h LEU 3 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1jup h LEU 3 CO 0.00 0.00 -0.23 0.50 -0.34 0.00 0.00 178.44 178.37 1jup h LYS 4 N 0.00 0.72 0.37 1.25 3.64 -1.99 -2.91 116.57 117.65 1jup h LYS 4 Ca 0.33 -0.34 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1jup h LYS 4 Cb 1.37 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1jup h LYS 4 CO -0.00 0.95 -0.18 -0.44 -2.27 0.00 0.00 179.45 177.51 1jup h ASP 5 N 0.48 -0.42 -0.71 4.20 3.32 0.15 -2.73 116.42 120.70 1jup h ASP 5 Ca 0.06 -0.02 0.15 0.00 0.02 0.00 0.00 57.03 57.24 1jup h ASP 5 Cb 0.78 0.11 -0.13 0.00 0.22 0.00 0.00 39.33 40.31 1jup h ASP 5 CO 0.06 -0.26 -0.15 0.50 -1.72 0.00 0.00 179.24 177.68 1jup h LYS 6 N -0.56 0.01 -0.15 3.56 3.64 -0.50 0.76 116.57 123.34 1jup h LYS 6 Ca -0.05 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1jup h LYS 6 Cb 0.42 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.19 1jup h LYS 6 CO 0.08 0.01 -0.14 0.82 -2.27 0.00 0.00 179.45 177.95 1jup h ILE 7 N 0.02 0.60 -0.78 2.00 2.04 -1.36 0.04 117.51 120.07 1jup h ILE 7 Ca 0.35 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.29 1jup h ILE 7 Cb 0.55 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 37.17 1jup h ILE 7 CO -0.72 0.00 0.44 -0.07 0.00 0.00 0.00 178.15 177.81 1jup h LEU 8 N -0.17 0.65 0.98 1.44 3.38 -0.84 -1.18 115.31 119.57 1jup h LEU 8 Ca 0.10 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1jup h LEU 8 Cb 0.31 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.98 1jup h LEU 8 CO -0.25 0.39 -0.47 1.23 0.09 0.00 0.00 178.44 179.43 1jup h GLY 9 N 0.78 -1.38 0.53 0.83 0.00 0.07 -1.30 103.07 102.60 1jup h GLY 9 Ca 0.36 0.51 0.11 0.00 0.00 0.00 0.00 47.33 48.31 1jup h GLY 9 CO -0.22 -0.50 0.64 -2.08 0.00 0.00 0.00 176.54 174.38 1jup h VAL 10 N -1.35 0.95 0.12 4.60 2.07 -0.94 -2.56 116.25 119.13 1jup h VAL 10 Ca -0.13 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1jup h VAL 10 Cb 1.01 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1jup h VAL 10 CO 0.22 0.19 -0.06 0.00 0.02 0.00 0.00 177.57 177.94 1jup h ALA 11 N 1.52 -0.15 -0.91 1.67 0.00 -1.14 -0.49 119.26 119.76 1jup h ALA 11 Ca 0.48 -0.12 0.22 0.00 0.00 0.00 0.00 54.91 55.49 1jup h ALA 11 Cb 0.43 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.15 1jup h ALA 11 CO -0.24 -0.49 0.42 -0.22 0.00 0.00 0.00 179.25 178.72 1jup h LYS 12 N -0.35 0.43 0.51 0.00 3.64 -0.82 0.18 116.57 120.16 1jup h LYS 12 Ca -0.02 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1jup h LYS 12 Cb 0.29 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1jup h LYS 12 CO 0.03 0.28 -0.24 0.93 -2.27 0.00 0.00 179.45 178.18 1jup h GLU 13 N 0.44 -0.66 -0.99 1.90 4.39 -1.36 -1.57 114.58 116.74 1jup h GLU 13 Ca 0.56 0.04 0.32 0.00 0.34 0.00 0.00 59.36 60.63 1jup h GLU 13 Cb 1.05 0.15 -0.18 0.00 -0.10 0.00 0.00 28.75 29.66 1jup h GLU 13 CO -0.51 -0.44 0.20 1.28 -1.16 0.00 0.00 179.01 178.38 1jup n LEU 14 N -4.64 0.04 0.12 1.33 4.32 -0.21 -0.15 117.00 117.82 1jup n LEU 14 Ca -0.08 1.66 -0.13 0.00 -0.02 0.00 0.00 56.01 57.44 1jup n LEU 14 Cb 0.27 -0.68 -0.08 0.00 -1.62 0.00 0.00 43.42 41.31 1jup n LEU 14 CO 0.20 -1.75 0.54 -0.26 -1.22 0.00 0.00 177.39 174.90 1jup h PHE 15 N 0.00 -0.32 -0.93 -1.77 0.05 -0.67 -0.66 116.94 112.64 1jup h PHE 15 Ca 0.68 -0.01 0.20 0.00 3.82 0.00 0.00 57.97 62.67 1jup h PHE 15 Cb 1.58 0.10 -0.11 0.00 2.00 0.00 0.00 35.95 39.52 1jup h PHE 15 CO -0.33 0.03 0.49 0.82 -0.18 0.00 0.00 178.31 179.14 1jup h ILE 16 N -0.73 0.59 0.11 -0.55 2.04 0.39 0.96 117.51 120.31 1jup h ILE 16 Ca -0.03 -0.19 -0.28 0.00 1.00 0.00 0.00 64.86 65.36 1jup h ILE 16 Cb 0.49 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1jup h ILE 16 CO 0.06 0.10 -1.33 0.50 0.00 0.00 0.00 178.15 177.48 1jup h LYS 17 N 0.56 0.22 0.00 2.37 1.63 -0.50 -3.40 116.57 117.45 1jup h LYS 17 Ca 0.56 -0.38 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1jup h LYS 17 Cb 0.98 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 1jup h LYS 17 CO -0.45 1.13 0.00 0.09 -3.45 0.00 0.00 179.45 176.77 1jup n ASN 18 N -3.47 0.65 0.00 4.20 3.02 -0.26 -5.08 115.26 114.32 1jup n ASN 18 Ca -0.10 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1jup n ASN 18 Cb 1.02 0.20 0.00 0.00 -0.61 0.00 0.00 39.78 40.39 1jup n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jup n GLY 19 N 0.20 -2.22 0.07 7.41 0.00 0.33 -4.16 105.19 106.81 1jup n GLY 19 Ca 0.00 -1.61 -0.02 0.00 0.00 0.00 0.00 46.02 44.38 1jup n GLY 19 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1jup h TYR 20 N 0.00 -0.05 0.00 1.61 3.20 -1.83 -3.29 116.97 116.61 1jup h TYR 20 Ca 0.00 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 1jup h TYR 20 Cb 0.00 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1jup h TYR 20 CO 0.00 0.06 -0.28 -0.91 -1.64 0.00 0.00 178.16 175.39 1jup h ASN 21 N -1.01 0.00 1.15 -2.11 -0.26 -1.96 -2.73 115.58 108.67 1jup h ASN 21 Ca -0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1jup h ASN 21 Cb 0.13 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1jup h ASN 21 CO 0.01 0.28 -0.03 0.00 -1.06 0.00 0.00 177.43 176.63 1jup h ALA 22 N 1.72 1.00 -2.46 -0.83 0.00 -1.72 -3.43 119.26 113.53 1jup h ALA 22 Ca -0.00 -0.02 -0.58 0.00 0.00 0.00 0.00 54.91 54.30 1jup h ALA 22 Cb 0.52 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 1jup h ALA 22 CO 0.04 0.03 0.28 0.99 0.00 0.00 0.00 179.25 180.59 1jup s THR 23 N -3.60 4.94 0.17 0.00 2.01 -1.03 -5.00 115.64 113.12 1jup s THR 23 Ca 0.02 1.45 -0.03 0.00 0.31 0.00 0.00 61.69 63.45 1jup s THR 23 Cb 0.08 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 1jup s THR 23 CO 0.57 0.06 0.38 0.42 -0.69 0.00 0.00 174.62 175.36 1jup s THR 24 N 2.05 5.20 -0.58 -0.82 -4.23 -1.26 -4.99 115.64 111.01 1jup s THR 24 Ca 0.34 -0.18 0.25 0.00 -1.18 0.00 0.00 61.69 60.93 1jup s THR 24 Cb -0.16 -3.68 0.31 0.00 1.34 0.00 0.00 72.50 70.31 1jup s THR 24 CO 0.11 -0.06 1.72 0.71 -0.54 0.00 0.00 174.62 176.57 1jup h THR 25 N 1.80 0.00 -0.63 3.99 1.35 -1.98 -2.28 112.91 115.16 1jup h THR 25 Ca -0.47 -0.64 -0.01 0.00 -0.55 0.00 0.00 66.41 64.74 1jup h THR 25 Cb 1.18 1.63 -0.03 0.00 -1.73 0.00 0.00 68.15 69.19 1jup h THR 25 CO 0.71 0.00 0.35 1.23 -0.25 0.00 0.00 175.52 177.55 1jup h GLY 26 N 4.09 0.92 0.38 5.82 0.00 -1.98 0.48 103.07 112.77 1jup h GLY 26 Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1jup h GLY 26 CO 0.00 0.38 -0.13 0.83 0.00 0.00 0.00 176.54 177.62 1jup h GLU 27 N 0.87 0.10 -0.89 4.80 5.08 -1.86 -0.96 114.58 121.72 1jup h GLU 27 Ca 0.22 -0.10 0.09 0.00 -1.00 0.00 0.00 59.36 58.58 1jup h GLU 27 Cb 0.01 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 1jup h GLU 27 CO -0.04 0.83 0.58 0.82 -1.00 0.00 0.00 179.01 180.20 1jup h ILE 28 N -0.58 0.97 0.42 3.13 1.08 -0.88 -0.20 117.51 121.46 1jup h ILE 28 Ca -0.01 -0.31 -0.02 0.00 -0.39 0.00 0.00 64.86 64.13 1jup h ILE 28 Cb 0.87 -0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 1jup h ILE 28 CO 0.03 0.16 -0.20 0.58 -0.69 0.00 0.00 178.15 178.03 1jup h VAL 29 N 0.90 0.00 -0.73 1.67 2.07 -0.07 -3.12 116.25 116.97 1jup h VAL 29 Ca 0.41 -0.57 0.07 0.00 0.82 0.00 0.00 66.70 67.42 1jup h VAL 29 Cb 0.39 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.10 1jup h VAL 29 CO -0.18 0.00 0.41 0.50 0.02 0.00 0.00 177.57 178.33 1jup h LYS 30 N -1.14 0.73 0.00 1.57 3.11 -0.94 -1.66 116.57 118.23 1jup h LYS 30 Ca -0.06 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 1jup h LYS 30 Cb 0.43 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.50 1jup h LYS 30 CO 0.10 0.48 0.00 1.28 -2.81 0.00 0.00 179.45 178.50 1jup n LEU 31 N -4.75 0.25 -0.55 5.20 4.77 -0.11 -2.26 117.00 119.56 1jup n LEU 31 Ca 0.10 0.55 0.08 0.00 -0.03 0.00 0.00 56.01 56.71 1jup n LEU 31 Cb 0.19 -0.50 0.20 0.00 -2.33 0.00 0.00 43.42 40.98 1jup n LEU 31 CO 0.29 -0.28 0.64 -1.54 -1.33 0.00 0.00 177.39 175.17 1jup n SER 32 N -1.77 3.06 -3.94 -1.43 3.41 -0.67 -4.97 113.62 107.32 1jup n SER 32 Ca 0.04 -3.13 -0.30 0.00 -0.26 0.00 0.00 58.87 55.21 1jup n SER 32 Cb 0.24 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1jup n SER 32 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jup n GLU 33 N -0.97 -0.55 0.00 4.33 1.02 -0.95 -4.76 120.64 118.75 1jup n GLU 33 Ca 0.20 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1jup n GLU 33 Cb 0.79 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 1jup n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jup n SER 34 N -1.22 1.39 -4.25 1.62 2.88 -0.93 -5.06 113.62 108.04 1jup n SER 34 Ca -0.10 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.23 1jup n SER 34 Cb 0.39 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.73 1jup n SER 34 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1jup s SER 35 N 0.89 2.21 0.21 -3.46 0.15 -1.26 -4.84 113.70 107.60 1jup s SER 35 Ca 0.00 -0.71 -0.02 0.00 0.70 0.00 0.00 55.95 55.92 1jup s SER 35 Cb 0.00 -0.10 0.18 0.00 -1.71 0.00 0.00 66.02 64.39 1jup s SER 35 CO 0.00 -0.03 1.56 0.50 1.20 0.00 0.00 173.24 176.47 1jup h LYS 36 N 3.92 0.54 -0.27 5.44 1.63 -1.96 -1.92 116.57 123.95 1jup h LYS 36 Ca -0.43 -0.30 -0.19 0.00 -0.85 0.00 0.00 60.65 58.88 1jup h LYS 36 Cb 1.19 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1jup h LYS 36 CO 0.43 0.90 -0.57 0.78 -3.45 0.00 0.00 179.45 177.54 1jup h GLY 37 N 1.07 0.93 0.88 5.01 0.00 -1.99 -2.14 103.07 106.83 1jup h GLY 37 Ca 0.03 -1.10 0.03 0.00 0.00 0.00 0.00 47.33 46.28 1jup h GLY 37 CO 0.09 0.99 0.42 -0.57 0.00 0.00 0.00 176.54 177.47 1jup h ASN 38 N 0.65 0.69 0.45 0.19 -0.73 -1.94 -0.90 115.58 113.99 1jup h ASN 38 Ca 0.01 -0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.16 1jup h ASN 38 Cb 1.17 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 39.61 1jup h ASN 38 CO 0.12 0.48 -0.26 0.25 -0.37 0.00 0.00 177.43 177.66 1jup h LEU 39 N 0.82 -0.63 -1.11 0.34 5.85 -1.17 -2.74 115.31 116.67 1jup h LEU 39 Ca 0.27 0.03 0.20 0.00 0.84 0.00 0.00 57.88 59.22 1jup h LEU 39 Cb 0.02 0.18 -0.10 0.00 0.37 0.00 0.00 40.66 41.12 1jup h LEU 39 CO -0.10 -0.42 0.62 0.22 -0.34 0.00 0.00 178.44 178.42 1jup h TYR 40 N -0.67 0.97 -0.08 1.25 3.20 -0.83 0.08 116.97 120.89 1jup h TYR 40 Ca -0.05 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 1jup h TYR 40 Cb 0.53 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1jup h TYR 40 CO -0.08 0.21 -0.22 -0.92 -1.64 0.00 0.00 178.16 175.52 1jup h TYR 41 N 0.69 0.14 0.07 -3.82 3.20 -0.90 0.52 116.97 116.88 1jup h TYR 41 Ca 0.57 -0.02 -0.34 0.00 3.14 0.00 0.00 58.73 62.07 1jup h TYR 41 Cb 0.99 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.19 1jup h TYR 41 CO -0.00 0.35 -1.94 0.72 -1.64 0.00 0.00 178.16 175.65 1jup n HIS 42 N -4.23 1.08 0.00 -3.82 8.25 -0.11 -4.69 115.22 111.70 1jup n HIS 42 Ca -0.01 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 1jup n HIS 42 Cb 0.31 -1.16 0.00 0.00 1.12 0.00 0.00 29.99 30.26 1jup n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1jup n PHE 43 N -3.30 0.00 0.00 4.41 3.01 -0.46 -5.02 117.46 116.09 1jup n PHE 43 Ca -0.28 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.18 1jup n PHE 43 Cb 1.05 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.52 1jup n PHE 43 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1jup n LYS 44 N -0.62 0.00 -4.13 -1.08 4.01 0.17 -4.57 118.16 111.94 1jup n LYS 44 Ca 0.00 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.70 1jup n LYS 44 Cb 0.00 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 34.42 1jup n LYS 44 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1jup s THR 45 N 0.00 0.51 0.47 -0.18 -4.23 -1.26 -4.75 115.64 106.21 1jup s THR 45 Ca 0.00 -1.81 0.15 0.00 -1.18 0.00 0.00 61.69 58.86 1jup s THR 45 Cb 0.00 -1.51 0.31 0.00 1.34 0.00 0.00 72.50 72.64 1jup s THR 45 CO 0.00 -0.87 2.05 0.50 -0.54 0.00 0.00 174.62 175.76 1jup h LYS 46 N 3.18 0.23 0.34 3.99 3.64 -1.99 0.06 116.57 126.02 1jup h LYS 46 Ca -0.35 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.01 1jup h LYS 46 Cb 1.16 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1jup h LYS 46 CO 0.63 0.15 -0.20 0.93 -2.27 0.00 0.00 179.45 178.68 1jup h GLU 47 N 0.23 -0.50 -0.21 1.90 3.07 -1.95 -0.07 114.58 117.04 1jup h GLU 47 Ca 0.16 0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.04 1jup h GLU 47 Cb 0.35 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 1jup h GLU 47 CO -0.03 -0.34 0.06 -0.91 -1.40 0.00 0.00 179.01 176.39 1jup h ASN 48 N -0.52 0.31 -0.90 1.42 4.21 -1.65 0.18 115.58 118.63 1jup h ASN 48 Ca -0.04 -0.22 0.17 0.00 1.21 0.00 0.00 56.30 57.42 1jup h ASN 48 Cb 0.43 -0.08 -0.16 0.00 -1.12 0.00 0.00 38.32 37.38 1jup h ASN 48 CO 0.04 0.45 -0.28 0.25 -1.29 0.00 0.00 177.43 176.60 1jup h LEU 49 N 0.16 -1.04 0.10 1.61 7.12 -0.75 1.14 115.31 123.65 1jup h LEU 49 Ca 0.07 0.28 -0.00 0.00 0.13 0.00 0.00 57.88 58.35 1jup h LEU 49 Cb 0.25 0.62 0.00 0.00 -0.53 0.00 0.00 40.66 41.00 1jup h LEU 49 CO -0.00 -0.30 -0.05 0.15 -0.13 0.00 0.00 178.44 178.11 1jup h PHE 50 N -0.02 -0.12 -0.90 1.25 3.04 -0.44 -2.27 116.94 117.47 1jup h PHE 50 Ca 0.39 -0.00 0.21 0.00 3.98 0.00 0.00 57.97 62.55 1jup h PHE 50 Cb 0.64 0.04 -0.06 0.00 2.56 0.00 0.00 35.95 39.12 1jup h PHE 50 CO -0.75 0.09 0.60 -0.07 -2.02 0.00 0.00 178.31 176.16 1jup h LEU 51 N -0.32 0.36 -0.41 0.59 3.38 0.31 -0.92 115.31 118.30 1jup h LEU 51 Ca -0.01 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1jup h LEU 51 Cb 0.27 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1jup h LEU 51 CO 0.02 0.14 -0.24 -0.08 0.09 0.00 0.00 178.44 178.38 1jup h GLU 52 N 0.36 0.88 0.92 1.13 4.57 0.14 -1.83 114.58 120.74 1jup h GLU 52 Ca 0.47 -0.40 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 1jup h GLU 52 Cb 1.24 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.82 1jup h GLU 52 CO -0.16 1.05 -0.44 0.82 -1.18 0.00 0.00 179.01 179.09 1jup h ILE 53 N 0.69 0.08 -1.31 2.32 1.08 -0.65 -1.71 117.51 118.02 1jup h ILE 53 Ca 0.09 -0.02 0.38 0.00 -0.39 0.00 0.00 64.86 64.92 1jup h ILE 53 Cb 0.81 0.09 -0.05 0.00 -3.07 0.00 0.00 36.82 34.59 1jup h ILE 53 CO 0.07 0.00 1.07 -0.07 -0.69 0.00 0.00 178.15 178.53 1jup h LEU 54 N -1.25 0.00 0.20 1.44 4.07 -1.17 0.39 115.31 118.99 1jup h LEU 54 Ca -0.13 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.49 1jup h LEU 54 Cb 0.95 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.70 1jup h LEU 54 CO 0.21 0.00 -1.67 -1.13 -1.08 0.00 0.00 178.44 174.76 1jup h ASN 55 N 0.00 0.66 -0.74 -0.43 -1.24 -0.69 -2.71 115.58 110.42 1jup h ASN 55 Ca 0.62 -0.90 -0.06 0.00 0.71 0.00 0.00 56.30 56.67 1jup h ASN 55 Cb 2.76 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 41.57 1jup h ASN 55 CO -0.01 1.75 0.24 0.40 -1.29 0.00 0.00 177.43 178.52 1jup h ILE 56 N 0.12 1.26 0.01 2.57 1.08 0.52 -1.62 117.51 121.45 1jup h ILE 56 Ca -0.32 -0.89 -0.00 0.00 -0.39 0.00 0.00 64.86 63.26 1jup h ILE 56 Cb 2.11 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 36.29 1jup h ILE 56 CO 0.20 0.35 -0.01 -0.33 -0.69 0.00 0.00 178.15 177.68 1jup h GLU 57 N 1.11 -0.02 -0.05 2.37 4.39 -0.87 -2.25 114.58 119.26 1jup h GLU 57 Ca 0.24 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.91 1jup h GLU 57 Cb 0.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1jup h GLU 57 CO -0.01 0.10 -0.15 1.05 -1.16 0.00 0.00 179.01 178.84 1jup h GLU 58 N -0.14 0.07 -0.15 2.33 -0.00 -1.32 -1.30 114.58 114.07 1jup h GLU 58 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1jup h GLU 58 Cb 0.13 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 28.86 1jup h GLU 58 CO 0.00 0.23 0.09 1.03 -0.00 0.00 0.00 179.01 180.36 1jup h SER 59 N 0.07 0.15 0.43 3.06 0.87 -0.86 -0.82 113.55 116.45 1jup h SER 59 Ca 0.01 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1jup h SER 59 Cb 0.31 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1jup h SER 59 CO 0.02 0.11 -0.27 0.11 -0.53 0.00 0.00 176.83 176.27 1jup h LYS 60 N 0.19 -0.65 -0.69 2.24 1.79 -0.70 -2.38 116.57 116.36 1jup h LYS 60 Ca 0.06 0.04 0.14 0.00 -2.18 0.00 0.00 60.65 58.71 1jup h LYS 60 Cb -0.01 0.15 -0.13 0.00 -1.58 0.00 0.00 32.23 30.65 1jup h LYS 60 CO -0.02 -0.43 -0.14 2.35 -1.08 0.00 0.00 179.45 180.13 1jup h TRP 61 N -0.67 -0.31 -1.00 -1.35 2.91 -1.12 1.05 115.95 115.47 1jup h TRP 61 Ca -0.05 0.06 0.11 0.00 1.13 0.00 0.00 58.89 60.15 1jup h TRP 61 Cb 0.56 0.25 -0.08 0.00 -0.51 0.00 0.00 29.16 29.37 1jup h TRP 61 CO -0.10 -0.28 0.63 1.96 -1.03 0.00 0.00 178.44 179.62 1jup h GLN 62 N 0.02 0.98 0.17 2.65 1.08 -0.91 -0.07 115.11 119.01 1jup h GLN 62 Ca 0.34 -0.06 -0.30 0.00 -1.45 0.00 0.00 58.65 57.18 1jup h GLN 62 Cb 0.53 -0.22 0.02 0.00 -0.05 0.00 0.00 27.48 27.76 1jup h GLN 62 CO -0.69 0.65 -1.31 1.49 -0.95 0.00 0.00 178.83 178.01 1jup h GLU 63 N 1.01 0.42 -0.72 1.46 4.22 0.77 -1.72 114.58 120.03 1jup h GLU 63 Ca 0.48 -0.68 0.06 0.00 0.08 0.00 0.00 59.36 59.30 1jup h GLU 63 Cb 0.45 0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 1jup h GLU 63 CO -0.25 1.31 0.47 0.37 -2.18 0.00 0.00 179.01 178.74 1jup h GLN 64 N 0.13 0.76 0.00 1.92 5.75 0.14 0.05 115.11 123.86 1jup h GLN 64 Ca -0.18 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.27 1jup h GLN 64 Cb 2.01 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 30.39 1jup h GLN 64 CO 0.23 0.50 0.00 2.35 -2.65 0.00 0.00 178.83 179.26 1jup h TRP 65 N 0.78 0.00 0.00 3.99 2.91 -0.94 -3.00 115.95 119.69 1jup h TRP 65 Ca 0.30 0.00 -0.11 0.00 1.13 0.00 0.00 58.89 60.21 1jup h TRP 65 Cb 0.20 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.84 1jup h TRP 65 CO -0.00 0.00 -0.52 -0.22 -1.03 0.00 0.00 178.44 176.67 1jup h LYS 66 N 0.00 0.00 0.00 2.65 3.64 -0.02 -2.69 116.57 120.15 1jup h LYS 66 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jup h LYS 66 Cb 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1jup h LYS 66 CO 0.00 0.52 -0.89 0.36 -2.27 0.00 0.00 179.45 177.16 1jup n LYS 67 N -3.43 0.06 0.03 1.90 2.85 -1.15 -4.12 118.16 114.30 1jup n LYS 67 Ca 0.00 -0.01 0.01 0.00 -1.05 0.00 0.00 58.31 57.26 1jup n LYS 67 Cb 0.65 -1.51 -0.08 0.00 -0.65 0.00 0.00 35.03 33.43 1jup n LYS 67 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1jup n GLU 68 N -1.59 0.62 0.00 -1.58 4.07 -1.14 -3.99 120.64 117.05 1jup n GLU 68 Ca 0.04 0.19 0.13 0.00 -0.06 0.00 0.00 57.16 57.46 1jup n GLU 68 Cb 0.35 -1.78 0.79 0.00 -0.06 0.00 0.00 31.44 30.74 1jup n GLU 68 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jup n GLN 69 N -2.84 0.82 0.22 5.31 10.64 -1.02 -2.66 117.38 127.85 1jup n GLN 69 Ca -0.10 0.00 0.09 0.00 -1.83 0.00 0.00 57.00 55.16 1jup n GLN 69 Cb 0.83 -1.50 0.51 0.00 -0.86 0.00 0.00 30.24 29.21 1jup n GLN 69 CO 0.00 0.00 0.00 0.97 -1.83 0.00 0.00 177.06 176.20 1jup h ILE 70 N 0.00 0.72 0.00 -0.39 2.10 -1.80 -1.93 117.51 116.21 1jup h ILE 70 Ca 0.00 -1.04 0.00 0.00 1.08 0.00 0.00 64.86 64.90 1jup h ILE 70 Cb 0.01 1.66 0.00 0.00 -1.09 0.00 0.00 36.82 37.39 1jup h ILE 70 CO 0.00 0.24 0.00 0.29 -1.08 0.00 0.00 178.15 177.60 1jup n LYS 71 N -3.59 0.23 -3.92 2.19 5.02 -1.09 -4.55 118.16 112.45 1jup n LYS 71 Ca -0.01 0.08 -0.34 0.00 -2.02 0.00 0.00 58.31 56.02 1jup n LYS 71 Cb 0.38 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.76 1jup n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jup s ALA 72 N -2.71 2.86 0.03 7.82 0.00 -0.73 -5.00 121.76 124.03 1jup s ALA 72 Ca 0.18 -2.03 -0.28 0.00 0.00 0.00 0.00 51.96 49.84 1jup s ALA 72 Cb 0.15 -1.98 -0.16 0.00 0.00 0.00 0.00 23.12 21.12 1jup s ALA 72 CO 0.37 -1.42 1.27 -0.22 0.00 0.00 0.00 175.76 175.76 1jup h LYS 73 N 7.92 -0.78 -6.85 0.00 1.63 -1.81 -3.45 116.57 113.23 1jup h LYS 73 Ca -0.17 0.05 -0.44 0.00 -0.85 0.00 0.00 60.65 59.24 1jup h LYS 73 Cb 1.05 0.18 0.05 0.00 -0.60 0.00 0.00 32.23 32.90 1jup h LYS 73 CO 0.55 -0.47 -0.02 0.95 -3.45 0.00 0.00 179.45 177.01 1jup s THR 74 N -5.02 2.88 -0.37 1.00 -4.23 -1.26 -5.01 115.64 103.63 1jup s THR 74 Ca -0.15 -0.60 0.23 0.00 -1.18 0.00 0.00 61.69 59.99 1jup s THR 74 Cb 0.02 -3.09 0.15 0.00 1.34 0.00 0.00 72.50 70.92 1jup s THR 74 CO 0.51 -0.07 1.33 0.78 -0.54 0.00 0.00 174.62 176.63 1jup h ASN 75 N 0.08 0.00 -0.36 3.99 2.35 -1.91 -2.37 115.58 117.35 1jup h ASN 75 Ca -0.43 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.28 1jup h ASN 75 Cb 1.29 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.64 1jup h ASN 75 CO 0.54 0.01 0.14 0.03 -1.65 0.00 0.00 177.43 176.49 1jup h ARG 76 N 0.00 0.55 -0.52 0.81 3.08 -1.95 -2.31 114.38 114.04 1jup h ARG 76 Ca 0.00 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 1jup h ARG 76 Cb 0.97 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 1jup h ARG 76 CO 0.00 0.54 -0.01 0.93 -1.07 0.00 0.00 179.97 180.36 1jup h GLU 77 N 0.44 0.88 -0.41 0.04 5.08 -1.95 -2.59 114.58 116.08 1jup h GLU 77 Ca 0.12 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1jup h GLU 77 Cb 0.21 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1jup h GLU 77 CO -0.01 0.89 0.27 0.87 -1.00 0.00 0.00 179.01 180.02 1jup h LYS 78 N 0.81 0.53 -0.71 2.33 1.57 -1.22 -0.86 116.57 119.02 1jup h LYS 78 Ca 0.15 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1jup h LYS 78 Cb 0.50 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 1jup h LYS 78 CO 0.03 0.35 0.44 0.35 -0.57 0.00 0.00 179.45 180.04 1jup h PHE 79 N 0.54 0.82 -0.43 -1.35 3.57 -1.12 0.68 116.94 119.65 1jup h PHE 79 Ca 0.15 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 1jup h PHE 79 Cb -0.05 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 1jup h PHE 79 CO -0.05 0.46 0.26 1.88 -2.23 0.00 0.00 178.31 178.63 1jup h TYR 80 N 0.85 0.57 -0.14 0.41 0.05 -1.07 -2.67 116.97 114.98 1jup h TYR 80 Ca 0.29 -0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.89 1jup h TYR 80 Cb 0.05 -0.19 0.01 0.00 1.01 0.00 0.00 36.73 37.61 1jup h TYR 80 CO -0.04 0.40 -0.63 1.25 -1.05 0.00 0.00 178.16 178.08 1jup h LEU 81 N 0.57 0.80 -1.04 3.88 5.85 -0.63 -2.63 115.31 122.10 1jup h LEU 81 Ca 0.16 -0.63 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 1jup h LEU 81 Cb -0.01 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1jup h LEU 81 CO -0.03 1.29 0.32 0.22 -0.34 0.00 0.00 178.44 179.90 1jup h TYR 82 N 0.35 1.00 -0.22 1.25 3.20 0.37 0.28 116.97 123.20 1jup h TYR 82 Ca -0.04 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.75 1jup h TYR 82 Cb 1.26 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 1jup h TYR 82 CO 0.10 0.74 -0.01 -0.91 -1.64 0.00 0.00 178.16 176.44 1jup h ASN 83 N 0.99 0.39 -0.85 -2.11 -0.26 -1.47 -2.47 115.58 109.80 1jup h ASN 83 Ca 0.24 -0.32 -0.02 0.00 -0.56 0.00 0.00 56.30 55.64 1jup h ASN 83 Cb 0.13 -0.11 -0.04 0.00 -1.06 0.00 0.00 38.32 37.24 1jup h ASN 83 CO -0.03 0.62 0.47 -0.08 -1.06 0.00 0.00 177.43 177.35 1jup h GLU 84 N 0.16 1.18 -0.58 0.81 4.81 -1.16 -1.19 114.58 118.63 1jup h GLU 84 Ca 0.06 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1jup h GLU 84 Cb 0.42 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1jup h GLU 84 CO 0.01 0.87 0.25 1.25 -0.73 0.00 0.00 179.01 180.66 1jup h LEU 85 N 1.18 0.75 -0.73 1.64 5.85 -0.90 0.53 115.31 123.64 1jup h LEU 85 Ca 0.30 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.81 1jup h LEU 85 Cb 0.03 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1jup h LEU 85 CO -0.05 0.66 -0.35 0.28 -0.34 0.00 0.00 178.44 178.64 1jup h SER 86 N 0.82 0.60 0.07 1.25 0.02 -0.93 -1.45 113.55 113.93 1jup h SER 86 Ca 0.20 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1jup h SER 86 Cb 0.13 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1jup h SER 86 CO -0.02 0.90 -0.04 0.25 -1.14 0.00 0.00 176.83 176.78 1jup h LEU 87 N 0.48 -0.08 0.76 5.07 5.85 0.10 -3.05 115.31 124.44 1jup h LEU 87 Ca 0.05 -0.53 -0.04 0.00 0.84 0.00 0.00 57.88 58.21 1jup h LEU 87 Cb 0.84 0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.89 1jup h LEU 87 CO 0.07 0.55 -0.38 0.71 -0.34 0.00 0.00 178.44 179.05 1jup h THR 88 N -0.79 0.00 -0.36 1.05 1.35 -0.00 -3.11 112.91 111.05 1jup h THR 88 Ca -0.01 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.95 1jup h THR 88 Cb 0.61 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.01 1jup h THR 88 CO 0.02 0.00 0.31 0.71 -0.25 0.00 0.00 175.52 176.31 1jup h THR 89 N -1.04 0.59 0.00 6.82 1.35 -1.42 0.56 112.91 119.77 1jup h THR 89 Ca -0.10 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1jup h THR 89 Cb 0.80 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1jup h THR 89 CO 0.16 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.81 1jup n GLU 90 N -4.06 0.25 0.05 4.72 1.02 -1.15 -2.58 120.64 118.88 1jup n GLU 90 Ca 0.06 0.12 -0.09 0.00 -0.02 0.00 0.00 57.16 57.23 1jup n GLU 90 Cb 0.48 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.34 1jup n GLU 90 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1jup h TYR 91 N 0.00 -0.20 -0.53 -0.32 3.20 -0.96 -3.33 116.97 114.83 1jup h TYR 91 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1jup h TYR 91 Cb 0.15 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.49 1jup h TYR 91 CO 0.00 0.20 0.00 2.48 -1.64 0.00 0.00 178.16 179.20 1jup n TYR 92 N -4.91 1.74 -2.55 -3.82 0.18 -1.19 -4.91 117.16 101.70 1jup n TYR 92 Ca -0.07 -0.62 -0.43 0.00 1.88 0.00 0.00 57.90 58.67 1jup n TYR 92 Cb 0.24 -0.41 -0.02 0.00 -0.38 0.00 0.00 39.34 38.77 1jup n TYR 92 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 1jup s TYR 93 N -2.39 2.78 0.21 -3.48 6.04 -1.07 -4.93 117.35 114.51 1jup s TYR 93 Ca 0.48 0.80 -0.10 0.00 0.04 0.00 0.00 57.07 58.29 1jup s TYR 93 Cb 0.35 -4.24 0.26 0.00 -1.04 0.00 0.00 41.96 37.29 1jup s TYR 93 CO 0.16 -1.36 1.76 -1.35 -1.54 0.00 0.00 175.55 173.22 1jup h PRO 94 N 9.31 0.46 0.00 4.97 0.11 -1.92 -2.63 132.00 142.30 1jup h PRO 94 Ca -0.24 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 1jup h PRO 94 Cb 1.07 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1jup h PRO 94 CO 1.10 0.30 -0.26 -0.07 -0.21 0.00 0.00 178.00 178.86 1jup h LEU 95 N 0.47 0.00 -0.76 2.35 3.38 -1.92 -3.31 115.31 115.52 1jup h LEU 95 Ca 0.30 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.59 1jup h LEU 95 Cb 0.32 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.94 1jup h LEU 95 CO -0.27 0.26 0.41 1.67 0.09 0.00 0.00 178.44 180.60 1jup n GLN 96 N -3.91 -0.05 0.08 1.13 -0.06 -0.99 0.10 117.38 113.69 1jup n GLN 96 Ca -0.02 1.05 -0.03 0.00 -2.00 0.00 0.00 57.00 56.01 1jup n GLN 96 Cb 0.34 -1.89 0.21 0.00 -4.06 0.00 0.00 30.24 24.84 1jup n GLN 96 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 1jup h ASN 97 N 0.00 0.28 0.73 1.69 2.35 -1.79 -2.69 115.58 116.15 1jup h ASN 97 Ca 0.65 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 56.28 1jup h ASN 97 Cb 1.72 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 40.01 1jup h ASN 97 CO -0.58 0.68 -0.39 0.00 -1.65 0.00 0.00 177.43 175.48 1jup n ALA 98 N -2.48 3.09 -0.02 -0.83 0.00 0.29 -2.59 120.51 117.97 1jup n ALA 98 Ca -0.02 -0.26 -0.07 0.00 0.00 0.00 0.00 53.44 53.09 1jup n ALA 98 Cb 0.49 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 1jup n ALA 98 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1jup h ILE 99 N 0.00 0.76 -0.78 0.00 5.03 -1.23 -2.74 117.51 118.55 1jup h ILE 99 Ca 0.00 -1.44 0.18 0.00 -0.12 0.00 0.00 64.86 63.48 1jup h ILE 99 Cb 0.56 1.40 -0.12 0.00 -3.03 0.00 0.00 36.82 35.63 1jup h ILE 99 CO 0.00 0.24 0.16 0.40 -0.68 0.00 0.00 178.15 178.27 1jup h ILE 100 N -0.98 0.43 0.07 -0.67 2.04 -1.56 0.42 117.51 117.26 1jup h ILE 100 Ca -0.01 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.80 1jup h ILE 100 Cb 0.46 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 1jup h ILE 100 CO 0.01 0.04 -0.26 -0.08 0.00 0.00 0.00 178.15 177.86 1jup h GLU 101 N 0.22 -0.43 0.59 2.37 4.81 -1.57 -1.35 114.58 119.22 1jup h GLU 101 Ca 0.45 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.68 1jup h GLU 101 Cb 0.82 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1jup h GLU 101 CO -0.58 -0.29 -0.32 0.35 -0.73 0.00 0.00 179.01 177.44 1jup h PHE 102 N -0.45 -0.85 -0.89 0.92 3.04 -0.61 -3.18 116.94 114.93 1jup h PHE 102 Ca 0.04 -0.01 0.24 0.00 3.98 0.00 0.00 57.97 62.22 1jup h PHE 102 Cb 0.50 0.29 -0.14 0.00 2.56 0.00 0.00 35.95 39.15 1jup h PHE 102 CO -0.27 -0.50 0.23 -0.92 -2.02 0.00 0.00 178.31 174.84 1jup h TYR 103 N -0.84 0.34 -0.56 0.41 3.20 -0.21 0.24 116.97 119.55 1jup h TYR 103 Ca -0.08 0.05 -0.36 0.00 3.14 0.00 0.00 58.73 61.48 1jup h TYR 103 Cb 0.66 -0.01 -0.16 0.00 1.54 0.00 0.00 36.73 38.76 1jup h TYR 103 CO 0.02 -0.23 0.46 0.25 -1.64 0.00 0.00 178.16 177.02 1jup n THR 104 N -5.24 2.75 0.00 1.81 -2.24 -0.52 -1.89 114.28 108.95 1jup n THR 104 Ca 0.22 -1.66 0.00 0.00 -2.27 0.00 0.00 64.05 60.34 1jup n THR 104 Cb 0.70 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 1jup n THR 104 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1jup n GLU 105 N 0.01 0.00 -1.03 -0.78 2.13 0.64 -4.78 120.64 116.83 1jup n GLU 105 Ca 0.35 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 58.06 1jup n GLU 105 Cb 0.73 -0.13 0.25 0.00 0.27 0.00 0.00 31.44 32.55 1jup n GLU 105 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1jup n TYR 106 N -2.18 2.39 -0.05 4.31 4.01 -0.08 -4.33 117.16 121.22 1jup n TYR 106 Ca 0.00 -1.45 -0.13 0.00 -0.16 0.00 0.00 57.90 56.16 1jup n TYR 106 Cb 0.00 -0.73 -0.07 0.00 -0.31 0.00 0.00 39.34 38.23 1jup n TYR 106 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1jup h TYR 107 N 1.84 0.40 -0.20 -0.72 3.20 -1.57 -3.31 116.97 116.62 1jup h TYR 107 Ca 0.37 -0.12 -0.14 0.00 3.14 0.00 0.00 58.73 61.98 1jup h TYR 107 Cb 2.37 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 40.56 1jup h TYR 107 CO 1.31 0.71 -0.44 0.87 -1.64 0.00 0.00 178.16 178.98 1jup h LYS 108 N -0.02 0.65 -6.68 1.82 6.56 -1.85 -3.45 116.57 113.61 1jup h LYS 108 Ca 0.03 -0.43 -0.53 0.00 -1.06 0.00 0.00 60.65 58.65 1jup h LYS 108 Cb 0.64 0.06 0.07 0.00 -0.57 0.00 0.00 32.23 32.42 1jup h LYS 108 CO 0.03 1.05 0.96 2.41 -2.06 0.00 0.00 179.45 181.84 1jup n THR 109 N -4.20 0.26 0.03 -0.16 -1.04 -1.25 -4.87 114.28 103.05 1jup n THR 109 Ca -0.06 -0.07 -0.07 0.00 -2.04 0.00 0.00 64.05 61.82 1jup n THR 109 Cb 0.56 -1.94 -0.12 0.00 -1.82 0.00 0.00 70.33 67.01 1jup n THR 109 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1jup h ASN 110 N 6.20 0.00 -0.02 8.00 -0.00 -1.87 -2.54 115.58 125.34 1jup h ASN 110 Ca -0.44 0.00 0.03 0.00 -0.00 0.00 0.00 56.30 55.89 1jup h ASN 110 Cb 1.21 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 39.48 1jup h ASN 110 CO 0.91 0.94 -0.36 -1.28 -0.00 0.00 0.00 177.43 177.65 1jup h SER 111 N 0.00 -1.07 -0.22 1.15 0.87 -1.95 -2.32 113.55 110.01 1jup h SER 111 Ca -0.13 0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1jup h SER 111 Cb 1.83 0.43 -0.01 0.00 -0.44 0.00 0.00 62.40 64.22 1jup h SER 111 CO 0.10 -0.41 -0.04 0.40 -0.53 0.00 0.00 176.83 176.36 1jup h ILE 112 N -0.50 1.28 -0.33 2.23 1.08 -1.88 -3.14 117.51 116.25 1jup h ILE 112 Ca 0.06 -1.00 0.10 0.00 -0.39 0.00 0.00 64.86 63.63 1jup h ILE 112 Cb 0.59 1.49 -0.01 0.00 -3.07 0.00 0.00 36.82 35.82 1jup h ILE 112 CO -0.30 0.31 0.47 -1.13 -0.69 0.00 0.00 178.15 176.81 1jup h ASN 113 N 0.16 0.00 -0.00 1.72 -1.24 -1.19 -1.79 115.58 113.23 1jup h ASN 113 Ca 0.06 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.00 1jup h ASN 113 Cb 0.48 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.53 1jup h ASN 113 CO 0.02 0.00 -0.28 -0.08 -1.29 0.00 0.00 177.43 175.80 1jup h GLU 114 N 0.00 0.20 -0.10 6.67 4.81 -1.37 -2.99 114.58 121.80 1jup h GLU 114 Ca 0.16 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1jup h GLU 114 Cb 1.10 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1jup h GLU 114 CO -0.00 0.93 -0.17 0.87 -0.73 0.00 0.00 179.01 179.91 1jup h LYS 115 N -0.46 0.16 0.27 1.92 1.57 -1.48 -2.82 116.57 115.74 1jup h LYS 115 Ca -0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1jup h LYS 115 Cb 1.03 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 1jup h LYS 115 CO 0.06 0.34 -0.17 0.52 -0.57 0.00 0.00 179.45 179.63 1jup h MET 116 N 0.15 -0.39 -0.96 3.15 2.86 -1.40 -2.83 114.93 115.51 1jup h MET 116 Ca 0.03 0.03 0.28 0.00 -2.06 0.00 0.00 59.70 57.98 1jup h MET 116 Cb 0.39 0.09 -0.14 0.00 0.06 0.00 0.00 31.60 32.00 1jup h MET 116 CO 0.03 -0.26 0.47 -0.91 1.06 0.00 0.00 176.91 177.29 1jup h ASN 117 N -0.41 0.38 -0.55 1.22 4.21 -1.40 1.61 115.58 120.64 1jup h ASN 117 Ca -0.04 0.19 0.14 0.00 1.21 0.00 0.00 56.30 57.80 1jup h ASN 117 Cb 0.33 0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 37.66 1jup h ASN 117 CO 0.04 -0.11 0.38 0.11 -1.29 0.00 0.00 177.43 176.56 1jup h LYS 118 N 0.33 0.11 0.17 0.81 1.57 -1.35 0.02 116.57 118.22 1jup h LYS 118 Ca 0.67 -0.01 -0.32 0.00 -1.87 0.00 0.00 60.65 59.12 1jup h LYS 118 Cb 1.44 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.74 1jup h LYS 118 CO -0.60 0.07 -1.50 1.25 -0.57 0.00 0.00 179.45 178.10 1jup h LEU 119 N 0.11 0.56 -0.09 2.94 5.85 0.25 -3.21 115.31 121.72 1jup h LEU 119 Ca 0.26 -0.70 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1jup h LEU 119 Cb 0.88 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1jup h LEU 119 CO -0.03 1.56 0.00 -0.62 -0.34 0.00 0.00 178.44 179.02 1jup n GLU 120 N -3.57 0.02 0.05 1.25 1.02 -0.14 -2.20 120.64 117.08 1jup n GLU 120 Ca -0.16 0.34 -0.20 0.00 -0.02 0.00 0.00 57.16 57.12 1jup n GLU 120 Cb 1.06 -1.54 -0.14 0.00 -0.02 0.00 0.00 31.44 30.80 1jup n GLU 120 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1jup h ASN 121 N 0.00 0.46 0.31 1.62 -0.26 -1.21 -2.72 115.58 113.77 1jup h ASN 121 Ca 0.00 -0.74 -0.04 0.00 -0.56 0.00 0.00 56.30 54.96 1jup h ASN 121 Cb 0.19 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.29 1jup h ASN 121 CO 0.00 1.63 -0.19 0.11 -1.06 0.00 0.00 177.43 177.93 1jup h LYS 122 N 0.08 0.00 0.00 0.81 1.57 -1.51 0.24 116.57 117.76 1jup h LYS 122 Ca -0.32 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.28 1jup h LYS 122 Cb 2.05 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.34 1jup h LYS 122 CO 0.15 0.19 -0.86 1.88 -0.57 0.00 0.00 179.45 180.23 1jup h TYR 123 N 0.00 0.00 0.00 -1.35 -1.99 -1.59 -3.26 116.97 108.78 1jup h TYR 123 Ca -0.00 -0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.64 1jup h TYR 123 Cb 0.39 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.11 1jup h TYR 123 CO 0.00 0.86 -0.40 0.82 -0.00 0.00 0.00 178.16 179.44 1jup h ILE 124 N 0.00 0.75 -0.15 -2.88 2.04 -0.31 -3.23 117.51 113.74 1jup h ILE 124 Ca -0.01 -1.84 -0.01 0.00 1.00 0.00 0.00 64.86 64.00 1jup h ILE 124 Cb 1.52 2.21 -0.01 0.00 -0.74 0.00 0.00 36.82 39.80 1jup h ILE 124 CO 0.11 0.39 0.03 0.44 0.00 0.00 0.00 178.15 179.12 1jup h ASP 125 N 0.00 0.19 -0.38 1.72 3.45 -0.97 -1.86 116.42 118.56 1jup h ASP 125 Ca -0.00 -0.01 0.05 0.00 0.43 0.00 0.00 57.03 57.49 1jup h ASP 125 Cb 1.17 -0.05 -0.08 0.00 -0.56 0.00 0.00 39.33 39.82 1jup h ASP 125 CO 0.05 0.20 -0.55 0.00 -1.57 0.00 0.00 179.24 177.38 1jup h ALA 126 N 1.83 -0.77 0.35 3.45 0.00 -1.71 0.13 119.26 122.53 1jup h ALA 126 Ca 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1jup h ALA 126 Cb 0.10 1.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1jup h ALA 126 CO -0.00 -1.05 -0.39 1.88 0.00 0.00 0.00 179.25 179.69 1jup h TYR 127 N -0.42 -1.07 -0.68 0.00 0.05 -1.58 -2.26 116.97 111.01 1jup h TYR 127 Ca 0.07 0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.94 1jup h TYR 127 Cb 0.61 0.42 -0.09 0.00 1.01 0.00 0.00 36.73 38.68 1jup h TYR 127 CO -0.70 -0.54 -0.37 1.58 -1.05 0.00 0.00 178.16 177.08 1jup n HIS 128 N -5.49 -0.22 0.12 4.88 -0.00 -0.52 -0.49 115.22 113.50 1jup n HIS 128 Ca -0.10 0.85 -0.13 0.00 0.46 0.00 0.00 57.72 58.80 1jup n HIS 128 Cb 0.39 -0.61 -0.06 0.00 -0.12 0.00 0.00 29.99 29.59 1jup n HIS 128 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1jup h VAL 129 N 0.00 0.42 -0.31 3.57 2.07 -0.26 -1.18 116.25 120.56 1jup h VAL 129 Ca 0.14 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.73 1jup h VAL 129 Cb 0.31 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 30.42 1jup h VAL 129 CO -0.65 0.00 -0.26 0.40 0.02 0.00 0.00 177.57 177.08 1jup h ILE 130 N -0.49 0.34 0.32 4.57 2.04 -0.24 0.86 117.51 124.92 1jup h ILE 130 Ca 0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 1jup h ILE 130 Cb 0.51 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1jup h ILE 130 CO -0.14 0.00 -0.32 -0.26 0.00 0.00 0.00 178.15 177.43 1jup h PHE 131 N -0.24 -0.87 -0.12 1.37 0.04 -0.99 0.51 116.94 116.65 1jup h PHE 131 Ca 0.16 0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.98 1jup h PHE 131 Cb 0.48 0.34 -0.06 0.00 2.20 0.00 0.00 35.95 38.91 1jup h PHE 131 CO -0.44 -0.46 -0.28 -0.22 -0.60 0.00 0.00 178.31 176.31 1jup h LYS 132 N -0.67 -0.35 -0.70 1.51 3.64 -0.83 -0.69 116.57 118.48 1jup h LYS 132 Ca -0.02 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.51 1jup h LYS 132 Cb 0.61 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.43 1jup h LYS 132 CO -0.06 -0.23 0.27 0.93 -2.27 0.00 0.00 179.45 178.08 1jup h GLU 133 N -0.36 0.42 -0.77 1.90 4.39 -0.62 0.35 114.58 119.89 1jup h GLU 133 Ca 0.10 -0.03 0.11 0.00 0.34 0.00 0.00 59.36 59.88 1jup h GLU 133 Cb 0.50 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.01 1jup h GLU 133 CO -0.32 0.28 0.50 0.78 -1.16 0.00 0.00 179.01 179.09 1jup h GLY 134 N 0.43 0.94 0.71 -3.84 0.00 0.26 0.64 103.07 102.21 1jup h GLY 134 Ca 0.37 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 1jup h GLY 134 CO -0.36 0.14 -0.34 3.43 0.00 0.00 0.00 176.54 179.40 1jup h ASN 135 N 0.63 -0.81 -0.76 0.19 -0.26 0.11 0.59 115.58 115.26 1jup h ASN 135 Ca 0.36 0.03 0.18 0.00 -0.56 0.00 0.00 56.30 56.30 1jup h ASN 135 Cb 0.55 0.21 -0.12 0.00 -1.06 0.00 0.00 38.32 37.90 1jup h ASN 135 CO -0.13 -0.49 0.15 -0.07 -1.06 0.00 0.00 177.43 175.83 1jup h LEU 136 N -1.15 -0.06 -0.34 1.61 4.07 -0.45 0.75 115.31 119.74 1jup h LEU 136 Ca -0.10 0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1jup h LEU 136 Cb 0.73 0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.71 1jup h LEU 136 CO 0.16 -0.09 0.00 0.59 -1.08 0.00 0.00 178.44 178.02 1jup n ASN 137 N -5.21 0.53 -2.50 -0.43 4.13 0.14 -4.91 115.26 107.02 1jup n ASN 137 Ca 0.15 -1.19 -0.18 0.00 1.68 0.00 0.00 54.58 55.04 1jup n ASN 137 Cb 0.50 -0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.77 1jup n ASN 137 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jup n GLY 138 N 1.06 -0.27 0.14 7.41 0.00 0.26 -4.86 105.19 108.92 1jup n GLY 138 Ca 0.22 -0.04 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 1jup n GLY 138 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jup h GLU 139 N -1.22 0.20 0.00 1.61 5.08 -0.16 -3.46 114.58 116.63 1jup h GLU 139 Ca -0.43 -0.19 -0.20 0.00 -1.00 0.00 0.00 59.36 57.54 1jup h GLU 139 Cb 1.29 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.55 1jup h GLU 139 CO 0.45 0.90 -0.04 -2.67 -1.00 0.00 0.00 179.01 176.65 1jup n TRP 140 N -3.71 -1.57 -3.29 4.33 2.14 -1.19 -5.04 117.44 109.10 1jup n TRP 140 Ca -0.03 -2.04 -0.25 0.00 2.07 0.00 0.00 57.50 57.24 1jup n TRP 140 Cb 0.75 0.58 -0.08 0.00 -0.81 0.00 0.00 31.31 31.76 1jup n TRP 140 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1jup n SER 141 N -1.62 0.16 -4.85 -0.67 2.88 -1.26 -4.05 113.62 104.21 1jup n SER 141 Ca -0.01 -2.62 -0.37 0.00 -1.33 0.00 0.00 58.87 54.53 1jup n SER 141 Cb 0.54 -0.61 -0.06 0.00 -0.75 0.00 0.00 64.21 63.33 1jup n SER 141 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1jup s ILE 142 N -0.81 5.06 -0.15 2.46 1.01 -1.26 -5.00 121.20 122.50 1jup s ILE 142 Ca 0.34 0.69 0.15 0.00 0.00 0.00 0.00 60.65 61.83 1jup s ILE 142 Cb 0.12 -3.68 0.40 0.00 0.01 0.00 0.00 42.46 39.31 1jup s ILE 142 CO -0.14 0.47 1.20 -0.46 0.00 0.00 0.00 174.94 176.01 1jup n ASN 143 N 1.48 1.57 -2.99 3.58 6.94 -1.26 -4.70 115.26 119.88 1jup n ASN 143 Ca -0.12 -3.37 -0.14 0.00 -0.02 0.00 0.00 54.58 50.93 1jup n ASN 143 Cb 0.52 -0.46 0.01 0.00 -2.36 0.00 0.00 39.78 37.49 1jup n ASN 143 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1jup n ASP 144 N -0.77 0.23 -0.34 0.53 -0.08 -1.26 -5.03 116.55 109.83 1jup n ASP 144 Ca 0.15 -3.05 0.05 0.00 -1.51 0.00 0.00 54.79 50.44 1jup n ASP 144 Cb 0.78 -0.06 0.14 0.00 2.34 0.00 0.00 41.12 44.32 1jup n ASP 144 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1jup h VAL 145 N 1.76 0.05 -0.21 5.18 2.07 -1.97 0.87 116.25 124.00 1jup h VAL 145 Ca 0.01 -0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 1jup h VAL 145 Cb 1.05 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1jup h VAL 145 CO 0.40 0.00 -0.07 -0.55 0.02 0.00 0.00 177.57 177.37 1jup h ASN 146 N 0.00 0.31 0.18 0.57 -1.07 -1.95 0.52 115.58 114.14 1jup h ASN 146 Ca 0.46 -0.06 -0.01 0.00 0.07 0.00 0.00 56.30 56.77 1jup h ASN 146 Cb 0.71 -0.08 0.00 0.00 -2.07 0.00 0.00 38.32 36.89 1jup h ASN 146 CO -0.97 0.42 -0.09 0.00 0.07 0.00 0.00 177.43 176.86 1jup h ALA 147 N 1.62 -0.25 -0.92 4.14 0.00 -1.30 -1.70 119.26 120.85 1jup h ALA 147 Ca 0.07 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.84 1jup h ALA 147 Cb 0.34 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1jup h ALA 147 CO 0.02 -0.32 0.57 0.28 0.00 0.00 0.00 179.25 179.79 1jup h VAL 148 N -0.87 0.99 -0.03 0.00 2.07 -1.15 -0.02 116.25 117.23 1jup h VAL 148 Ca -0.03 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.16 1jup h VAL 148 Cb 0.51 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1jup h VAL 148 CO 0.04 0.18 -0.01 0.28 0.02 0.00 0.00 177.57 178.08 1jup h SER 149 N 0.99 -0.04 -0.55 0.57 0.02 0.02 0.29 113.55 114.85 1jup h SER 149 Ca 0.42 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.37 1jup h SER 149 Cb 0.29 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 1jup h SER 149 CO -0.21 -0.02 0.29 0.11 -1.14 0.00 0.00 176.83 175.86 1jup h LYS 150 N -0.01 0.78 -0.38 3.45 1.57 -0.30 0.19 116.57 121.87 1jup h LYS 150 Ca 0.02 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1jup h LYS 150 Cb 0.03 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 1jup h LYS 150 CO -0.04 0.62 0.22 0.82 -0.57 0.00 0.00 179.45 180.50 1jup h ILE 151 N 0.74 1.03 -0.15 1.86 2.04 -0.68 -0.88 117.51 121.47 1jup h ILE 151 Ca 0.19 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1jup h ILE 151 Cb 0.07 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1jup h ILE 151 CO -0.03 0.08 0.05 0.00 0.00 0.00 0.00 178.15 178.25 1jup h ALA 152 N 1.17 0.19 -0.15 1.87 0.00 -0.12 0.20 119.26 122.42 1jup h ALA 152 Ca 0.15 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1jup h ALA 152 Cb 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1jup h ALA 152 CO -0.08 -0.20 0.10 0.00 0.00 0.00 0.00 179.25 179.07 1jup h ALA 153 N 0.88 2.10 0.03 0.00 0.00 -0.65 -1.62 119.26 120.00 1jup h ALA 153 Ca 0.05 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.67 1jup h ALA 153 Cb 0.20 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1jup h ALA 153 CO -0.00 -0.13 -1.56 -0.91 0.00 0.00 0.00 179.25 176.64 1jup h ASN 154 N 0.03 0.11 -0.18 0.00 2.35 -0.92 -2.69 115.58 114.29 1jup h ASN 154 Ca 0.07 -0.19 -0.10 0.00 -0.55 0.00 0.00 56.30 55.53 1jup h ASN 154 Cb 0.23 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 1jup h ASN 154 CO -0.00 1.16 -0.29 0.00 -1.65 0.00 0.00 177.43 176.65 1jup h ALA 155 N 0.82 0.27 -0.02 -0.83 0.00 -0.56 -2.86 119.26 116.08 1jup h ALA 155 Ca -0.24 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 1jup h ALA 155 Cb 1.97 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 1jup h ALA 155 CO 0.11 0.29 0.01 0.28 0.00 0.00 0.00 179.25 179.93 1jup h VAL 156 N 0.16 1.08 0.00 0.00 2.07 -1.45 -2.11 116.25 115.99 1jup h VAL 156 Ca 0.01 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1jup h VAL 156 Cb 0.87 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1jup h VAL 156 CO 0.07 0.06 0.00 0.59 0.02 0.00 0.00 177.57 178.31 1jup n ASN 157 N -5.03 0.52 0.05 0.57 4.13 -1.01 -1.73 115.26 112.76 1jup n ASN 157 Ca -0.07 0.66 -0.13 0.00 1.68 0.00 0.00 54.58 56.72 1jup n ASN 157 Cb 0.07 -0.76 -0.14 0.00 -1.54 0.00 0.00 39.78 37.42 1jup n ASN 157 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1jup h GLY 158 N 1.67 0.17 0.89 7.41 0.00 -1.18 -1.87 103.07 110.17 1jup h GLY 158 Ca 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1jup h GLY 158 CO 0.00 0.39 0.08 -2.22 0.00 0.00 0.00 176.54 174.78 1jup h ILE 159 N 0.04 1.21 0.59 2.60 1.08 -0.70 -1.13 117.51 121.20 1jup h ILE 159 Ca -0.18 -0.69 -0.03 0.00 -0.39 0.00 0.00 64.86 63.57 1jup h ILE 159 Cb 1.95 1.12 -0.00 0.00 -3.07 0.00 0.00 36.82 36.81 1jup h ILE 159 CO 0.15 0.23 -0.37 0.58 -0.69 0.00 0.00 178.15 178.05 1jup h VAL 160 N 0.30 0.00 -0.93 1.67 2.07 -1.45 -2.88 116.25 115.02 1jup h VAL 160 Ca 0.09 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.67 1jup h VAL 160 Cb 0.27 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.98 1jup h VAL 160 CO -0.00 0.00 0.60 0.74 0.02 0.00 0.00 177.57 178.93 1jup h THR 161 N -0.89 1.09 -0.58 2.57 2.02 -1.36 -3.28 112.91 112.48 1jup h THR 161 Ca -0.08 -0.38 -0.34 0.00 0.77 0.00 0.00 66.41 66.38 1jup h THR 161 Cb 0.72 -0.11 -0.21 0.00 -1.74 0.00 0.00 68.15 66.81 1jup h THR 161 CO 0.08 0.20 0.02 0.49 0.37 0.00 0.00 175.52 176.67 1jup n PHE 162 N -4.54 1.86 0.00 3.16 3.01 -0.43 -4.40 117.46 116.12 1jup n PHE 162 Ca 0.13 -1.92 0.00 0.00 1.01 0.00 0.00 57.45 56.67 1jup n PHE 162 Cb 0.15 -0.65 0.00 0.00 -0.01 0.00 0.00 39.48 38.97 1jup n PHE 162 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1jup n THR 163 N -1.04 0.00 0.00 4.37 -1.04 -1.09 -4.88 114.28 110.60 1jup n THR 163 Ca 0.42 -0.25 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1jup n THR 163 Cb 1.06 0.77 0.00 0.00 -1.82 0.00 0.00 70.33 70.33 1jup n THR 163 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1jup n HIS 164 N -1.02 0.00 -0.33 -1.42 8.25 -1.26 -1.45 115.22 117.98 1jup n HIS 164 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 1jup n HIS 164 Cb 0.00 -0.37 0.32 0.00 1.12 0.00 0.00 29.99 31.05 1jup n HIS 164 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1jup h GLU 165 N 0.00 0.79 -7.20 -0.41 9.09 -1.96 -3.44 114.58 111.45 1jup h GLU 165 Ca 0.00 -0.05 -0.49 0.00 0.05 0.00 0.00 59.36 58.87 1jup h GLU 165 Cb 0.00 -0.18 0.21 0.00 -1.65 0.00 0.00 28.75 27.13 1jup h GLU 165 CO 0.00 0.52 0.10 1.04 0.05 0.00 0.00 179.01 180.72 1jup n GLN 166 N -4.65 -1.19 -2.63 1.06 3.00 -0.53 -4.95 117.38 107.49 1jup n GLN 166 Ca 0.20 -0.30 -0.42 0.00 -0.01 0.00 0.00 57.00 56.48 1jup n GLN 166 Cb 0.48 -2.28 -0.03 0.00 0.00 0.00 0.00 30.24 28.41 1jup n GLN 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1jup s ASN 167 N -2.53 7.22 0.28 1.08 6.03 -1.26 -4.85 114.94 120.91 1jup s ASN 167 Ca 0.67 1.65 0.20 0.00 -1.03 0.00 0.00 52.86 54.36 1jup s ASN 167 Cb -0.24 -2.56 0.97 0.00 -3.03 0.00 0.00 41.25 36.39 1jup s ASN 167 CO 0.61 -0.44 1.03 0.00 -2.03 0.00 0.00 177.10 176.27 1jup n ILE 168 N 4.38 -0.18 -0.25 0.54 3.06 -1.26 0.21 119.36 125.86 1jup n ILE 168 Ca 0.09 1.21 -0.02 0.00 -2.50 0.00 0.00 62.75 61.52 1jup n ILE 168 Cb 0.48 -1.97 0.17 0.00 0.54 0.00 0.00 39.64 38.86 1jup n ILE 168 CO 0.00 0.00 0.00 -1.13 -2.50 0.00 0.00 176.55 172.92 1jup h ASN 169 N 0.00 0.96 1.73 9.51 -0.00 -2.00 -2.30 115.58 123.48 1jup h ASN 169 Ca 0.58 -0.08 -0.00 0.00 -0.00 0.00 0.00 56.30 56.79 1jup h ASN 169 Cb 1.81 -0.24 -0.00 0.00 -0.00 0.00 0.00 38.32 39.89 1jup h ASN 169 CO -0.33 0.78 -0.27 -0.08 -0.00 0.00 0.00 177.43 177.52 1jup h GLU 170 N 1.08 0.00 -0.09 6.67 4.81 0.22 -2.84 114.58 124.42 1jup h GLU 170 Ca 0.27 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.40 1jup h GLU 170 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1jup h GLU 170 CO -0.04 0.01 -0.36 0.00 -0.73 0.00 0.00 179.01 177.89 1jup h ARG 171 N 0.00 0.41 0.00 1.92 3.08 -1.45 0.83 114.38 119.17 1jup h ARG 171 Ca -0.00 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 1jup h ARG 171 Cb 1.01 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 1jup h ARG 171 CO 0.00 0.94 -0.03 0.82 -1.07 0.00 0.00 179.97 180.63 1jup h ILE 172 N -0.04 0.85 -0.05 2.04 2.04 -1.47 0.11 117.51 120.99 1jup h ILE 172 Ca -0.02 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1jup h ILE 172 Cb 0.99 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1jup h ILE 172 CO 0.08 0.03 -0.04 0.50 0.00 0.00 0.00 178.15 178.71 1jup h LYS 173 N 0.00 0.11 -0.33 2.37 3.11 -1.19 -3.14 116.57 117.51 1jup h LYS 173 Ca -0.00 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1jup h LYS 173 Cb 0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.28 1jup h LYS 173 CO 0.00 0.56 0.21 -0.07 -2.81 0.00 0.00 179.45 177.34 1jup h LEU 174 N -0.33 0.39 -0.51 5.20 3.38 0.09 -2.98 115.31 120.55 1jup h LEU 174 Ca 0.01 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.03 1jup h LEU 174 Cb 0.53 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 1jup h LEU 174 CO 0.01 0.30 0.15 -0.03 0.09 0.00 0.00 178.44 178.96 1jup h MET 175 N 0.44 0.29 -0.10 1.13 4.05 -1.07 -2.04 114.93 117.63 1jup h MET 175 Ca 0.12 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.44 1jup h MET 175 Cb -0.02 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 1jup h MET 175 CO -0.02 0.19 -0.31 -0.91 0.23 0.00 0.00 176.91 176.09 1jup h ASN 176 N 0.30 0.19 -0.89 1.39 2.35 -1.48 -0.42 115.58 117.03 1jup h ASN 176 Ca 0.25 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1jup h ASN 176 Cb 0.31 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 1jup h ASN 176 CO -0.29 0.51 0.51 0.50 -1.65 0.00 0.00 177.43 177.01 1jup h LYS 177 N 0.17 1.23 0.07 0.81 1.63 -1.24 -1.37 116.57 117.88 1jup h LYS 177 Ca 0.02 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1jup h LYS 177 Cb 0.64 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1jup h LYS 177 CO 0.05 0.88 -0.04 0.35 -3.45 0.00 0.00 179.45 177.24 1jup h PHE 178 N 1.24 -0.09 -1.28 1.91 3.57 -0.88 -0.71 116.94 120.70 1jup h PHE 178 Ca 0.32 -0.00 0.39 0.00 3.53 0.00 0.00 57.97 62.21 1jup h PHE 178 Cb -0.01 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.69 1jup h PHE 178 CO 0.01 -0.06 0.89 0.43 -2.23 0.00 0.00 178.31 177.35 1jup n SER 179 N -2.31 0.06 -0.07 0.41 7.64 -0.22 0.26 113.62 119.39 1jup n SER 179 Ca -0.01 0.85 -0.15 0.00 1.01 0.00 0.00 58.87 60.57 1jup n SER 179 Cb 0.04 -0.42 -0.13 0.00 -1.01 0.00 0.00 64.21 62.69 1jup n SER 179 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1jup h GLN 180 N 0.00 0.02 -0.25 1.43 4.15 -0.91 -1.23 115.11 118.31 1jup h GLN 180 Ca 0.68 -0.03 0.06 0.00 0.77 0.00 0.00 58.65 60.12 1jup h GLN 180 Cb 2.50 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 30.15 1jup h GLN 180 CO -0.15 1.01 -0.12 0.82 -1.93 0.00 0.00 178.83 178.47 1jup h ILE 181 N -0.96 0.62 0.57 2.39 2.04 0.14 0.18 117.51 122.48 1jup h ILE 181 Ca -0.04 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1jup h ILE 181 Cb 1.07 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1jup h ILE 181 CO -0.01 0.00 -0.33 0.15 0.00 0.00 0.00 178.15 177.96 1jup h PHE 182 N -0.09 -0.88 -1.03 1.37 3.04 -1.03 -1.26 116.94 117.06 1jup h PHE 182 Ca 0.13 -0.01 0.27 0.00 3.98 0.00 0.00 57.97 62.34 1jup h PHE 182 Cb 0.29 0.31 -0.07 0.00 2.56 0.00 0.00 35.95 39.04 1jup h PHE 182 CO -0.30 -0.50 0.69 1.25 -2.02 0.00 0.00 178.31 177.43 1jup h LEU 183 N -0.83 0.29 0.46 0.59 5.85 -0.99 -1.69 115.31 119.00 1jup h LEU 183 Ca -0.08 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1jup h LEU 183 Cb 0.66 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1jup h LEU 183 CO 0.09 0.07 -0.22 -1.13 -0.34 0.00 0.00 178.44 176.90 1jup h ASN 184 N 0.26 -0.53 0.00 1.25 -0.00 -0.16 -2.98 115.58 113.42 1jup h ASN 184 Ca 0.55 -0.09 0.00 0.00 -0.00 0.00 0.00 56.30 56.76 1jup h ASN 184 Cb 1.64 0.14 0.00 0.00 -0.00 0.00 0.00 38.32 40.10 1jup h ASN 184 CO -0.18 -0.17 0.02 0.61 -0.00 0.00 0.00 177.43 177.71 1jup n GLY 185 N -0.50 -0.32 0.12 1.57 0.00 -0.52 -1.23 105.19 104.31 1jup n GLY 185 Ca -0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 1jup n GLY 185 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jup h LEU 186 N 0.00 0.53 -0.05 0.99 3.38 -1.35 -3.51 115.31 115.30 1jup h LEU 186 Ca 0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1jup h LEU 186 Cb 0.05 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1jup h LEU 186 CO 0.00 1.53 0.00 -0.24 0.09 0.00 0.00 178.44 179.82