#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5t s ASP 2 N 0.00 6.70 0.45 1.61 -1.08 -1.26 -4.69 116.67 118.40 1i5t s ASP 2 Ca 0.00 0.86 0.14 0.00 -0.52 0.00 0.00 52.55 53.03 1i5t s ASP 2 Cb 0.00 -2.38 1.07 0.00 -1.46 0.00 0.00 42.92 40.15 1i5t s ASP 2 CO 0.00 -0.41 2.01 1.62 0.52 0.00 0.00 175.17 178.91 1i5t h VAL 3 N 5.38 0.92 -0.03 1.11 3.04 -1.86 0.18 116.25 125.00 1i5t h VAL 3 Ca -0.26 -0.12 -0.01 0.00 -1.01 0.00 0.00 66.70 65.31 1i5t h VAL 3 Cb 1.12 0.55 -0.00 0.00 -2.01 0.00 0.00 31.29 30.95 1i5t h VAL 3 CO 0.81 0.06 -0.01 -0.33 -1.01 0.00 0.00 177.57 177.10 1i5t h GLU 4 N 0.34 0.05 -0.68 4.17 5.08 -1.93 0.31 114.58 121.92 1i5t h GLU 4 Ca 0.22 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.68 1i5t h GLU 4 Cb 0.44 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.60 1i5t h GLU 4 CO -0.05 0.40 0.23 0.87 -1.00 0.00 0.00 179.01 179.46 1i5t h LYS 5 N -0.30 0.37 -0.68 2.33 1.79 -1.86 -2.23 116.57 115.99 1i5t h LYS 5 Ca 0.01 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1i5t h LYS 5 Cb 0.38 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.91 1i5t h LYS 5 CO 0.00 0.25 0.43 0.78 -1.08 0.00 0.00 179.45 179.83 1i5t h GLY 6 N 0.38 0.97 0.87 3.86 0.00 -0.00 0.07 103.07 109.22 1i5t h GLY 6 Ca 0.36 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 1i5t h GLY 6 CO -0.38 0.30 0.05 1.70 0.00 0.00 0.00 176.54 178.21 1i5t h LYS 7 N 0.86 0.42 -0.22 4.80 3.64 0.05 0.17 116.57 126.29 1i5t h LYS 7 Ca 0.26 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1i5t h LYS 7 Cb -0.03 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1i5t h LYS 7 CO -0.09 0.53 0.06 0.87 -2.27 0.00 0.00 179.45 178.55 1i5t h LYS 8 N 0.24 0.15 -0.67 1.90 1.57 -0.97 0.59 116.57 119.39 1i5t h LYS 8 Ca 0.08 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1i5t h LYS 8 Cb 0.30 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1i5t h LYS 8 CO 0.00 0.10 0.40 0.82 -0.57 0.00 0.00 179.45 180.21 1i5t h ILE 9 N 0.15 1.06 0.03 1.86 2.04 -0.69 0.69 117.51 122.65 1i5t h ILE 9 Ca 0.10 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1i5t h ILE 9 Cb 0.08 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1i5t h ILE 9 CO -0.12 0.14 -0.01 0.15 0.00 0.00 0.00 178.15 178.31 1i5t h PHE 10 N 0.78 -0.03 -0.35 1.37 3.57 -0.14 0.23 116.94 122.37 1i5t h PHE 10 Ca 0.28 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.83 1i5t h PHE 10 Cb 0.06 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 1i5t h PHE 10 CO -0.05 0.01 0.05 0.28 -2.23 0.00 0.00 178.31 176.37 1i5t h VAL 11 N -0.07 0.81 -0.21 1.41 2.07 -0.50 0.37 116.25 120.13 1i5t h VAL 11 Ca -0.00 -0.06 -0.16 0.00 0.82 0.00 0.00 66.70 67.30 1i5t h VAL 11 Cb 0.06 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1i5t h VAL 11 CO 0.01 0.03 -0.54 1.56 0.02 0.00 0.00 177.57 178.65 1i5t h GLN 12 N 0.16 0.61 0.00 1.57 4.20 -0.58 -3.39 115.11 117.68 1i5t h GLN 12 Ca 0.17 -0.38 -0.14 0.00 0.06 0.00 0.00 58.65 58.36 1i5t h GLN 12 Cb 0.20 0.04 -0.29 0.00 0.30 0.00 0.00 27.48 27.73 1i5t h GLN 12 CO -0.23 0.99 -0.84 0.36 -0.67 0.00 0.00 178.83 178.44 1i5t n LYS 13 N -3.97 0.00 0.00 1.46 0.00 0.79 -4.92 118.16 111.52 1i5t n LYS 13 Ca -0.03 -1.67 0.00 0.00 -0.00 0.00 0.00 58.31 56.60 1i5t n LYS 13 Cb 0.60 -0.03 0.00 0.00 -0.00 0.00 0.00 35.03 35.60 1i5t n LYS 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1i5t h ALA 15 N 0.00 1.31 -0.36 0.00 0.00 -1.00 -2.78 119.26 116.42 1i5t h ALA 15 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1i5t h ALA 15 Cb 0.30 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 1i5t h ALA 15 CO 0.00 -0.31 -0.20 0.37 0.00 0.00 0.00 179.25 179.11 1i5t h GLN 16 N 0.00 -0.14 0.00 0.00 4.15 -1.83 -3.29 115.11 113.99 1i5t h GLN 16 Ca 0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1i5t h GLN 16 Cb 0.69 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.41 1i5t h GLN 16 CO 0.00 -0.10 -0.01 0.00 -1.93 0.00 0.00 178.83 176.79 1i5t s HIS 18 N -0.87 1.64 -0.01 0.00 3.76 -1.21 0.14 115.29 118.74 1i5t s HIS 18 Ca 0.02 -1.28 -0.13 0.00 -0.15 0.00 0.00 55.06 53.52 1i5t s HIS 18 Cb 0.02 -0.94 0.02 0.00 1.11 0.00 0.00 32.58 32.79 1i5t s HIS 18 CO 0.00 -0.40 0.28 0.95 -0.85 0.00 0.00 174.74 174.72 1i5t s THR 19 N -3.57 0.06 -0.06 1.30 -4.23 -1.26 -4.65 115.64 103.23 1i5t s THR 19 Ca 0.35 -0.50 0.04 0.00 -1.18 0.00 0.00 61.69 60.40 1i5t s THR 19 Cb 0.06 -0.57 -0.06 0.00 1.34 0.00 0.00 72.50 73.26 1i5t s THR 19 CO 0.16 -0.27 0.12 1.33 -0.54 0.00 0.00 174.62 175.41 1i5t n VAL 20 N 1.37 0.00 -2.31 2.29 0.24 -1.26 -0.61 118.33 118.05 1i5t n VAL 20 Ca -0.21 -0.18 -0.32 0.00 -2.04 0.00 0.00 64.34 61.59 1i5t n VAL 20 Cb 0.56 0.56 -0.03 0.00 -1.47 0.00 0.00 33.84 33.46 1i5t n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1i5t s GLU 21 N -2.06 3.85 0.67 7.34 -1.05 -1.26 -3.95 118.70 122.24 1i5t s GLU 21 Ca -0.01 0.96 -0.16 0.00 -0.15 0.00 0.00 54.97 55.61 1i5t s GLU 21 Cb 0.03 -2.12 0.01 0.00 -0.44 0.00 0.00 34.13 31.61 1i5t s GLU 21 CO 0.18 -0.35 1.20 0.15 0.95 0.00 0.00 175.26 177.38 1i5t s LYS 22 N -4.17 2.50 0.00 -4.83 1.02 -1.26 -3.41 119.74 109.59 1i5t s LYS 22 Ca 0.59 1.75 0.00 0.00 0.02 0.00 0.00 55.97 58.33 1i5t s LYS 22 Cb -0.11 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 1i5t s LYS 22 CO 0.34 -1.55 0.00 0.41 -0.92 0.00 0.00 175.35 173.62 1i5t n GLY 23 N 0.33 1.52 3.50 -3.33 0.00 -1.26 -4.93 105.19 101.02 1i5t n GLY 23 Ca 0.13 -0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 1i5t n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i5t n GLY 24 N 0.00 0.32 3.58 -0.02 0.00 -1.22 -4.84 105.19 103.00 1i5t n GLY 24 Ca 0.00 0.86 -0.47 0.00 0.00 0.00 0.00 46.02 46.42 1i5t n GLY 24 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1i5t n LYS 25 N 8.57 1.21 -1.68 1.61 2.85 -1.26 -4.77 118.16 124.67 1i5t n LYS 25 Ca 0.42 0.43 -0.51 0.00 -1.05 0.00 0.00 58.31 57.59 1i5t n LYS 25 Cb 0.32 -1.84 -0.06 0.00 -0.65 0.00 0.00 35.03 32.80 1i5t n LYS 25 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1i5t n HIS 26 N 0.85 2.17 -0.84 5.58 8.25 -1.26 -4.74 115.22 125.23 1i5t n HIS 26 Ca 0.13 0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.84 1i5t n HIS 26 Cb 0.28 -2.56 0.00 0.00 1.12 0.00 0.00 29.99 28.83 1i5t n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1i5t n LYS 27 N 5.54 3.62 -0.31 -0.41 5.02 -1.26 -4.99 118.16 125.36 1i5t n LYS 27 Ca 0.23 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.50 1i5t n LYS 27 Cb 0.23 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.38 1i5t n LYS 27 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1i5t h THR 28 N 0.00 1.24 -2.78 -0.18 2.02 -1.90 -3.41 112.91 107.90 1i5t h THR 28 Ca 0.00 -0.53 -0.53 0.00 0.77 0.00 0.00 66.41 66.13 1i5t h THR 28 Cb 0.00 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.38 1i5t h THR 28 CO 0.00 0.25 -0.34 -0.83 0.37 0.00 0.00 175.52 174.97 1i5t s GLY 29 N -3.25 1.72 0.68 2.16 0.00 0.12 -5.03 107.32 103.73 1i5t s GLY 29 Ca -0.12 -0.87 -0.11 0.00 0.00 0.00 0.00 44.72 43.62 1i5t s GLY 29 CO 0.81 -0.83 1.06 2.56 0.00 0.00 0.00 173.10 176.70 1i5t s PRO 30 N -3.42 3.04 -0.02 2.90 0.04 -1.26 -4.50 135.00 131.78 1i5t s PRO 30 Ca 0.38 0.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.05 1i5t s PRO 30 Cb -0.11 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 1i5t s PRO 30 CO 0.29 -1.02 1.48 1.21 0.04 0.00 0.00 177.00 179.00 1i5t s ASN 31 N -3.82 6.78 0.15 6.66 3.84 -1.26 -4.31 114.94 122.98 1i5t s ASN 31 Ca 0.58 2.15 -0.12 0.00 0.21 0.00 0.00 52.86 55.68 1i5t s ASN 31 Cb -0.14 -2.55 0.02 0.00 -0.55 0.00 0.00 41.25 38.03 1i5t s ASN 31 CO 0.54 -0.79 1.60 -0.07 -2.79 0.00 0.00 177.10 175.59 1i5t h LEU 32 N 8.92 0.86 0.00 3.21 3.38 -1.19 -3.46 115.31 127.04 1i5t h LEU 32 Ca -0.38 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1i5t h LEU 32 Cb 1.17 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1i5t h LEU 32 CO 0.92 0.97 0.00 1.57 0.09 0.00 0.00 178.44 181.99 1i5t n HIS 33 N -4.32 0.00 -2.06 1.13 -0.00 -1.25 -1.98 115.22 106.74 1i5t n HIS 33 Ca 0.01 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.14 1i5t n HIS 33 Cb 0.32 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 30.21 1i5t n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1i5t n GLY 34 N 0.16 0.14 0.15 1.57 0.00 -1.23 -5.03 105.19 100.95 1i5t n GLY 34 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 1i5t n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1i5t h LEU 35 N -0.29 -0.25 -9.46 0.99 5.85 -1.71 -3.42 115.31 107.02 1i5t h LEU 35 Ca -0.18 0.01 -0.53 0.00 0.84 0.00 0.00 57.88 58.03 1i5t h LEU 35 Cb 1.09 0.06 0.03 0.00 0.37 0.00 0.00 40.66 42.22 1i5t h LEU 35 CO 0.14 0.13 1.16 -0.36 -0.34 0.00 0.00 178.44 179.17 1i5t s PHE 36 N -2.50 1.81 0.00 1.25 0.08 -1.26 -0.64 117.98 116.72 1i5t s PHE 36 Ca -0.04 -0.20 0.00 0.00 0.12 0.00 0.00 56.93 56.80 1i5t s PHE 36 Cb 0.00 -4.22 0.00 0.00 -0.57 0.00 0.00 43.02 38.24 1i5t s PHE 36 CO 0.13 -5.18 0.00 0.41 -0.10 0.00 0.00 175.22 170.48 1i5t n GLY 37 N 4.36 1.94 3.98 4.36 0.00 -0.11 -5.01 105.19 114.71 1i5t n GLY 37 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1i5t n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i5t s ARG 38 N -0.64 3.03 0.58 1.61 0.52 0.19 -4.80 118.95 119.45 1i5t s ARG 38 Ca 0.00 -0.87 -0.02 0.00 -0.52 0.00 0.00 55.73 54.32 1i5t s ARG 38 Cb 0.00 -2.72 0.03 0.00 0.52 0.00 0.00 34.95 32.78 1i5t s ARG 38 CO 0.00 -0.12 0.84 0.15 0.02 0.00 0.00 175.30 176.19 1i5t s LYS 39 N -4.34 2.56 -0.35 3.54 1.02 -1.26 -0.54 119.74 120.38 1i5t s LYS 39 Ca 0.48 -0.51 -0.37 0.00 0.02 0.00 0.00 55.97 55.58 1i5t s LYS 39 Cb -0.10 -2.39 -0.13 0.00 -0.52 0.00 0.00 37.83 34.69 1i5t s LYS 39 CO 0.34 -0.79 2.10 0.25 -0.92 0.00 0.00 175.35 176.33 1i5t n THR 40 N -2.49 0.19 -2.02 2.17 -2.24 -0.81 -3.25 114.28 105.83 1i5t n THR 40 Ca 0.07 -0.18 -0.02 0.00 -2.27 0.00 0.00 64.05 61.64 1i5t n THR 40 Cb 0.59 -1.42 0.01 0.00 -2.10 0.00 0.00 70.33 67.41 1i5t n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i5t n GLY 41 N 6.23 0.44 0.10 3.38 0.00 -1.26 -4.61 105.19 109.48 1i5t n GLY 41 Ca 0.40 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 1i5t n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i5t n GLN 42 N -1.58 0.73 -1.55 1.61 1.13 -1.20 -4.97 117.38 111.55 1i5t n GLN 42 Ca -0.03 0.09 -0.48 0.00 -1.94 0.00 0.00 57.00 54.64 1i5t n GLN 42 Cb 0.52 -1.44 -0.05 0.00 0.11 0.00 0.00 30.24 29.38 1i5t n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i5t n ALA 43 N -3.00 1.19 -2.36 -1.58 0.00 -1.26 -4.87 120.51 108.63 1i5t n ALA 43 Ca -0.36 -0.02 -0.43 0.00 0.00 0.00 0.00 53.44 52.64 1i5t n ALA 43 Cb 0.95 -2.63 -0.02 0.00 0.00 0.00 0.00 19.45 17.75 1i5t n ALA 43 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1i5t s PRO 44 N 5.70 4.28 0.00 0.00 0.04 -1.26 -4.07 135.00 139.68 1i5t s PRO 44 Ca 1.03 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.84 1i5t s PRO 44 Cb -0.69 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 30.17 1i5t s PRO 44 CO 0.46 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 177.30 1i5t n GLY 45 N 3.58 1.28 3.77 0.56 0.00 -1.26 -4.97 105.19 108.15 1i5t n GLY 45 Ca 0.13 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1i5t n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i5t s PHE 46 N 0.00 2.90 -0.53 1.61 5.36 -1.26 -4.97 117.98 121.10 1i5t s PHE 46 Ca 0.00 1.54 -0.28 0.00 -0.96 0.00 0.00 56.93 57.23 1i5t s PHE 46 Cb 0.00 -3.37 0.03 0.00 -0.34 0.00 0.00 43.02 39.34 1i5t s PHE 46 CO 0.00 -1.46 1.15 0.99 -1.46 0.00 0.00 175.22 174.44 1i5t s THR 47 N -1.54 4.13 1.17 0.12 2.01 -1.26 -5.00 115.64 115.27 1i5t s THR 47 Ca 0.63 1.03 -0.15 0.00 0.31 0.00 0.00 61.69 63.51 1i5t s THR 47 Cb -0.28 -4.66 0.28 0.00 0.01 0.00 0.00 72.50 67.85 1i5t s THR 47 CO 0.35 -1.16 1.04 -0.31 -0.69 0.00 0.00 174.62 173.84 1i5t s TYR 48 N 4.65 1.16 0.19 4.92 2.02 -1.26 -5.07 117.35 123.96 1i5t s TYR 48 Ca 0.45 0.93 0.07 0.00 -0.37 0.00 0.00 57.07 58.15 1i5t s TYR 48 Cb -0.07 -3.15 -0.04 0.00 -0.40 0.00 0.00 41.96 38.29 1i5t s TYR 48 CO 0.28 -3.83 0.03 0.95 -1.57 0.00 0.00 175.55 171.42 1i5t s THR 49 N -2.63 3.86 0.13 -0.71 -4.23 -1.26 -5.04 115.64 105.76 1i5t s THR 49 Ca 0.68 -1.42 -0.32 0.00 -1.18 0.00 0.00 61.69 59.44 1i5t s THR 49 Cb -0.20 -2.97 -0.10 0.00 1.34 0.00 0.00 72.50 70.58 1i5t s THR 49 CO 0.61 -0.16 1.56 -0.78 -0.54 0.00 0.00 174.62 175.31 1i5t h ASP 50 N 2.48 -1.74 -0.62 3.99 1.82 -1.97 -2.09 116.42 118.29 1i5t h ASP 50 Ca -0.47 0.23 0.12 0.00 -0.39 0.00 0.00 57.03 56.52 1i5t h ASP 50 Cb 1.21 0.71 -0.12 0.00 0.68 0.00 0.00 39.33 41.81 1i5t h ASP 50 CO 0.59 -0.43 -0.17 0.00 -1.61 0.00 0.00 179.24 177.63 1i5t h ALA 51 N -0.04 0.39 -0.56 -0.78 0.00 -1.90 0.55 119.26 116.92 1i5t h ALA 51 Ca 0.07 0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1i5t h ALA 51 Cb 0.62 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1i5t h ALA 51 CO -0.54 -0.44 0.33 -0.97 0.00 0.00 0.00 179.25 177.63 1i5t h ASN 52 N -0.01 0.52 -0.65 0.00 -1.24 -1.82 -0.43 115.58 111.96 1i5t h ASN 52 Ca 0.30 0.01 -0.07 0.00 0.71 0.00 0.00 56.30 57.25 1i5t h ASN 52 Cb 0.47 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.39 1i5t h ASN 52 CO -0.65 0.36 0.14 0.50 -1.29 0.00 0.00 177.43 176.49 1i5t h LYS 53 N 0.65 1.07 -0.70 6.67 3.64 -0.18 -2.51 116.57 125.21 1i5t h LYS 53 Ca 0.23 -0.26 0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1i5t h LYS 53 Cb 0.05 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.67 1i5t h LYS 53 CO -0.11 0.96 0.40 -0.97 -2.27 0.00 0.00 179.45 177.46 1i5t h ASN 54 N 1.01 0.60 0.56 4.20 -0.73 0.75 -2.80 115.58 119.18 1i5t h ASN 54 Ca 0.21 0.03 -0.02 0.00 1.87 0.00 0.00 56.30 58.38 1i5t h ASN 54 Cb 0.39 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 38.88 1i5t h ASN 54 CO 0.01 0.39 -0.33 0.50 -0.37 0.00 0.00 177.43 177.62 1i5t h LYS 55 N 0.74 -0.81 -0.35 6.67 3.11 -0.79 -3.46 116.57 121.67 1i5t h LYS 55 Ca 0.31 0.06 -0.15 0.00 -2.81 0.00 0.00 60.65 58.06 1i5t h LYS 55 Cb 0.18 0.18 -0.06 0.00 -1.00 0.00 0.00 32.23 31.54 1i5t h LYS 55 CO -0.18 -0.54 -0.14 0.41 -2.81 0.00 0.00 179.45 176.19 1i5t n GLY 56 N -1.47 0.82 3.93 5.01 0.00 -0.97 -4.98 105.19 107.52 1i5t n GLY 56 Ca -0.12 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 1i5t n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1i5t s ILE 57 N -1.90 2.19 -0.08 -0.61 -4.36 -1.26 -4.79 121.20 110.38 1i5t s ILE 57 Ca 0.00 -0.21 -0.12 0.00 -0.26 0.00 0.00 60.65 60.05 1i5t s ILE 57 Cb 0.00 -2.97 -0.05 0.00 1.25 0.00 0.00 42.46 40.69 1i5t s ILE 57 CO 0.00 0.00 0.31 -0.89 0.24 0.00 0.00 174.94 174.60 1i5t s THR 58 N -3.36 5.24 0.05 8.37 2.01 -1.26 -1.93 115.64 124.76 1i5t s THR 58 Ca 0.62 0.59 -0.26 0.00 0.31 0.00 0.00 61.69 62.95 1i5t s THR 58 Cb -0.10 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 1i5t s THR 58 CO 0.46 0.54 0.81 0.26 -0.69 0.00 0.00 174.62 176.00 1i5t s TRP 59 N -0.62 3.74 0.00 4.92 0.52 0.30 -4.94 118.94 122.86 1i5t s TRP 59 Ca 0.19 1.54 0.00 0.00 0.02 0.00 0.00 56.10 57.86 1i5t s TRP 59 Cb -0.14 -2.88 0.00 0.00 -1.15 0.00 0.00 33.47 29.30 1i5t s TRP 59 CO 0.08 0.24 0.00 0.36 0.02 0.00 0.00 176.95 177.65 1i5t n LYS 60 N 2.88 0.00 0.06 4.98 2.85 -1.26 -0.94 118.16 126.72 1i5t n LYS 60 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1i5t n LYS 60 Cb 0.50 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.88 1i5t n LYS 60 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1i5t n GLU 61 N 0.00 0.00 -0.24 -1.58 0.28 -1.26 -4.83 120.64 113.01 1i5t n GLU 61 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.04 1i5t n GLU 61 Cb 0.00 0.00 0.14 0.00 1.43 0.00 0.00 31.44 33.01 1i5t n GLU 61 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1i5t h GLU 62 N 0.00 0.12 -0.89 3.44 5.08 -1.99 0.46 114.58 120.81 1i5t h GLU 62 Ca 0.00 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 1i5t h GLU 62 Cb 0.00 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.15 1i5t h GLU 62 CO 0.00 0.08 0.54 1.79 -1.00 0.00 0.00 179.01 180.42 1i5t h THR 63 N 0.12 0.96 0.07 1.13 1.35 -1.92 0.38 112.91 115.00 1i5t h THR 63 Ca 0.38 -0.32 -0.21 0.00 -0.55 0.00 0.00 66.41 65.72 1i5t h THR 63 Cb 0.65 -0.04 0.02 0.00 -1.73 0.00 0.00 68.15 67.05 1i5t h THR 63 CO -0.60 0.17 -0.85 -0.07 -0.25 0.00 0.00 175.52 173.92 1i5t h LEU 64 N 0.92 0.63 -0.93 3.87 4.07 -1.41 0.14 115.31 122.59 1i5t h LEU 64 Ca 0.42 -0.83 0.27 0.00 0.08 0.00 0.00 57.88 57.82 1i5t h LEU 64 Cb 0.32 -0.20 -0.15 0.00 1.08 0.00 0.00 40.66 41.71 1i5t h LEU 64 CO -0.23 1.38 0.30 0.24 -1.08 0.00 0.00 178.44 179.06 1i5t h MET 65 N -0.05 0.18 0.16 1.13 2.86 -0.50 0.28 114.93 118.99 1i5t h MET 65 Ca -0.13 -0.01 -0.22 0.00 -2.06 0.00 0.00 59.70 57.28 1i5t h MET 65 Cb 1.58 -0.04 0.02 0.00 0.06 0.00 0.00 31.60 33.22 1i5t h MET 65 CO 0.16 0.12 -0.99 1.49 1.06 0.00 0.00 176.91 178.75 1i5t h GLU 66 N 0.19 0.33 0.49 1.72 4.81 -0.81 -3.24 114.58 118.08 1i5t h GLU 66 Ca 0.62 -0.57 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1i5t h GLU 66 Cb 1.34 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.94 1i5t h GLU 66 CO -0.69 1.27 -0.24 -0.92 -0.73 0.00 0.00 179.01 177.71 1i5t h TYR 67 N -0.28 -0.61 -0.16 0.92 3.20 -0.06 -2.17 116.97 117.81 1i5t h TYR 67 Ca -0.18 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.72 1i5t h TYR 67 Cb 1.74 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 40.21 1i5t h TYR 67 CO 0.18 -0.29 0.34 -0.07 -1.64 0.00 0.00 178.16 176.69 1i5t h LEU 68 N -0.96 0.00 -0.13 2.82 3.38 -0.67 0.73 115.31 120.48 1i5t h LEU 68 Ca -0.07 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.73 1i5t h LEU 68 Cb 0.60 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.36 1i5t h LEU 68 CO 0.11 0.00 -0.58 -0.08 0.09 0.00 0.00 178.44 177.98 1i5t h GLU 69 N 0.00 0.62 -1.50 1.13 4.81 -1.42 0.28 114.58 118.50 1i5t h GLU 69 Ca 0.07 -0.50 -0.19 0.00 -0.13 0.00 0.00 59.36 58.61 1i5t h GLU 69 Cb 0.76 0.10 -0.26 0.00 0.63 0.00 0.00 28.75 29.99 1i5t h GLU 69 CO -0.00 1.12 -0.55 -0.80 -0.73 0.00 0.00 179.01 178.05 1i5t s ASN 70 N -6.81 -0.14 0.31 1.04 0.01 0.17 -4.36 114.94 105.16 1i5t s ASN 70 Ca -0.12 -0.92 0.01 0.00 -0.71 0.00 0.00 52.86 51.13 1i5t s ASN 70 Cb 0.07 1.27 0.56 0.00 0.41 0.00 0.00 41.25 43.56 1i5t s ASN 70 CO 0.85 -0.25 1.92 1.55 -1.51 0.00 0.00 177.10 179.66 1i5t h PRO 71 N 7.34 0.95 -0.18 -0.60 0.13 -1.59 -1.04 132.00 137.01 1i5t h PRO 71 Ca 0.02 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 65.04 1i5t h PRO 71 Cb 1.12 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1i5t h PRO 71 CO 0.18 0.63 -0.10 1.57 -0.23 0.00 0.00 178.00 180.04 1i5t h LYS 72 N 0.98 0.29 -0.05 0.86 2.10 -1.88 0.19 116.57 119.05 1i5t h LYS 72 Ca 0.37 -0.06 -0.17 0.00 -2.00 0.00 0.00 60.65 58.79 1i5t h LYS 72 Cb 0.20 -0.04 0.01 0.00 -0.90 0.00 0.00 32.23 31.50 1i5t h LYS 72 CO -0.13 0.40 -0.62 -0.22 -2.00 0.00 0.00 179.45 176.88 1i5t h LYS 73 N 0.27 0.51 0.34 0.07 3.64 -1.58 -2.96 116.57 116.87 1i5t h LYS 73 Ca 0.06 -0.48 -0.02 0.00 -1.27 0.00 0.00 60.65 58.94 1i5t h LYS 73 Cb 0.36 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1i5t h LYS 73 CO 0.02 1.12 -0.16 1.88 -2.27 0.00 0.00 179.45 180.03 1i5t h TYR 74 N 0.08 -0.42 -3.57 1.91 -1.99 -1.24 -3.40 116.97 108.35 1i5t h TYR 74 Ca -0.06 -0.01 -0.67 0.00 2.00 0.00 0.00 58.73 59.99 1i5t h TYR 74 Cb 1.29 0.14 -0.38 0.00 2.00 0.00 0.00 36.73 39.77 1i5t h TYR 74 CO 0.12 -0.10 -0.63 0.42 -0.00 0.00 0.00 178.16 177.97 1i5t s ILE 75 N -4.86 2.70 -0.80 -2.88 1.01 0.63 -4.89 121.20 112.10 1i5t s ILE 75 Ca -0.14 -2.51 -0.25 0.00 0.00 0.00 0.00 60.65 57.74 1i5t s ILE 75 Cb 0.02 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 1i5t s ILE 75 CO 0.55 -0.68 1.90 -2.16 0.00 0.00 0.00 174.94 174.55 1i5t s PRO 76 N 0.66 2.60 0.00 2.79 0.04 -1.12 -3.65 135.00 136.33 1i5t s PRO 76 Ca 0.12 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.16 1i5t s PRO 76 Cb -0.21 -4.83 0.00 0.00 0.04 0.00 0.00 34.50 29.50 1i5t s PRO 76 CO -0.05 -3.13 0.00 0.41 0.04 0.00 0.00 177.00 174.27 1i5t n GLY 77 N 6.45 0.43 3.69 0.56 0.00 -1.26 -4.89 105.19 110.17 1i5t n GLY 77 Ca 0.33 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 1i5t n GLY 77 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i5t n THR 78 N 0.00 0.00 -0.59 2.61 -2.24 -1.24 -4.84 114.28 107.98 1i5t n THR 78 Ca 0.00 -1.32 -0.29 0.00 -2.27 0.00 0.00 64.05 60.16 1i5t n THR 78 Cb 0.00 -1.11 0.22 0.00 -2.10 0.00 0.00 70.33 67.34 1i5t n THR 78 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1i5t s LYS 79 N -5.23 -0.13 0.00 -0.78 -0.14 -1.26 -5.02 119.74 107.18 1i5t s LYS 79 Ca 0.66 1.17 0.00 0.00 -1.36 0.00 0.00 55.97 56.44 1i5t s LYS 79 Cb -0.03 -1.62 0.00 0.00 -1.68 0.00 0.00 37.83 34.50 1i5t s LYS 79 CO 0.44 -3.29 0.20 -0.12 -0.76 0.00 0.00 175.35 171.82 1i5t n MET 80 N -4.65 0.00 0.00 1.68 0.00 -1.26 -4.93 117.12 107.96 1i5t n MET 80 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.77 1i5t n MET 80 Cb 0.53 -0.63 0.00 0.00 0.00 0.00 0.00 33.22 33.12 1i5t n MET 80 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 1i5t n ILE 81 N -0.29 0.00 -3.13 1.12 3.06 -1.26 -4.85 119.36 114.01 1i5t n ILE 81 Ca 0.00 0.00 -0.30 0.00 -2.50 0.00 0.00 62.75 59.95 1i5t n ILE 81 Cb 0.00 -0.25 -0.04 0.00 0.54 0.00 0.00 39.64 39.89 1i5t n ILE 81 CO 0.00 0.00 0.00 0.72 -2.50 0.00 0.00 176.55 174.77 1i5t s PHE 82 N -2.00 3.45 0.03 9.51 -0.71 -1.26 -5.03 117.98 121.97 1i5t s PHE 82 Ca 0.00 0.93 -0.26 0.00 -1.04 0.00 0.00 56.93 56.56 1i5t s PHE 82 Cb 0.00 -2.33 -0.17 0.00 -1.21 0.00 0.00 43.02 39.31 1i5t s PHE 82 CO 0.00 0.06 1.42 0.00 -1.34 0.00 0.00 175.22 175.37 1i5t h ALA 83 N 1.74 -0.35 0.00 1.99 0.00 -1.96 -3.49 119.26 117.20 1i5t h ALA 83 Ca -0.47 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1i5t h ALA 83 Cb 1.18 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1i5t h ALA 83 CO 0.66 -0.59 0.00 0.41 0.00 0.00 0.00 179.25 179.73 1i5t n GLY 84 N -0.62 2.44 3.56 0.00 0.00 -1.26 -4.55 105.19 104.76 1i5t n GLY 84 Ca -0.09 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 1i5t n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i5t s ILE 85 N -2.00 3.68 0.35 -0.61 -1.09 0.98 -4.81 121.20 117.69 1i5t s ILE 85 Ca 0.00 -0.69 0.05 0.00 -2.23 0.00 0.00 60.65 57.77 1i5t s ILE 85 Cb 0.00 -4.54 0.29 0.00 -1.58 0.00 0.00 42.46 36.64 1i5t s ILE 85 CO 0.00 -1.39 1.95 0.50 -1.23 0.00 0.00 174.94 174.77 1i5t h LYS 86 N 10.29 0.79 -6.31 2.79 3.64 -1.89 -3.39 116.57 122.48 1i5t h LYS 86 Ca 0.18 -0.05 -0.54 0.00 -1.27 0.00 0.00 60.65 58.97 1i5t h LYS 86 Cb 0.99 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.57 1i5t h LYS 86 CO 1.31 0.52 1.15 0.15 -2.27 0.00 0.00 179.45 180.31 1i5t s LYS 87 N -5.72 3.16 0.30 1.90 1.02 -1.26 -4.89 119.74 114.24 1i5t s LYS 87 Ca -0.10 0.42 0.05 0.00 0.02 0.00 0.00 55.97 56.36 1i5t s LYS 87 Cb 0.20 -4.19 0.79 0.00 -0.52 0.00 0.00 37.83 34.10 1i5t s LYS 87 CO 0.78 -2.12 1.66 -0.22 -0.92 0.00 0.00 175.35 174.53 1i5t h LYS 88 N 11.73 0.28 0.09 1.68 3.64 -1.98 0.33 116.57 132.33 1i5t h LYS 88 Ca -0.27 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.12 1i5t h LYS 88 Cb 1.10 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.81 1i5t h LYS 88 CO 1.19 0.19 -0.36 0.00 -2.27 0.00 0.00 179.45 178.20 1i5t h THR 89 N 0.29 0.24 -0.80 1.00 1.03 -1.95 -0.61 112.91 112.12 1i5t h THR 89 Ca 0.59 0.00 0.09 0.00 -0.01 0.00 0.00 66.41 67.08 1i5t h THR 89 Cb 1.20 0.24 -0.07 0.00 -1.07 0.00 0.00 68.15 68.45 1i5t h THR 89 CO -0.61 0.00 0.45 -0.33 -0.01 0.00 0.00 175.52 175.02 1i5t h GLU 90 N -0.57 0.73 0.65 0.00 5.08 -1.35 0.20 114.58 119.32 1i5t h GLU 90 Ca 0.04 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1i5t h GLU 90 Cb 0.62 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1i5t h GLU 90 CO -0.23 0.49 -0.47 0.00 -1.00 0.00 0.00 179.01 177.80 1i5t h ARG 91 N 0.76 -1.02 -0.46 2.33 3.08 -0.93 0.73 114.38 118.86 1i5t h ARG 91 Ca 0.38 0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.56 1i5t h ARG 91 Cb 0.35 0.23 -0.05 0.00 0.08 0.00 0.00 29.97 30.59 1i5t h ARG 91 CO -0.25 -0.68 0.17 0.93 -1.07 0.00 0.00 179.97 179.07 1i5t h GLU 92 N -1.06 0.33 0.25 0.04 5.08 0.26 0.14 114.58 119.63 1i5t h GLU 92 Ca -0.09 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1i5t h GLU 92 Cb 0.87 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 1i5t h GLU 92 CO 0.04 0.22 -0.38 -0.44 -1.00 0.00 0.00 179.01 177.45 1i5t h ASP 93 N 0.34 -1.08 -0.09 1.42 3.32 -0.64 0.58 116.42 120.28 1i5t h ASP 93 Ca 0.22 0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.42 1i5t h ASP 93 Cb 0.21 0.38 -0.06 0.00 0.22 0.00 0.00 39.33 40.09 1i5t h ASP 93 CO -0.22 -0.50 -0.34 0.25 -1.72 0.00 0.00 179.24 176.72 1i5t h LEU 94 N -0.70 -1.04 -0.60 1.55 5.85 -0.49 -1.38 115.31 118.50 1i5t h LEU 94 Ca -0.00 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1i5t h LEU 94 Cb 0.67 0.43 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 1i5t h LEU 94 CO -0.14 -0.38 0.33 0.40 -0.34 0.00 0.00 178.44 178.31 1i5t h ILE 95 N -0.44 0.97 -0.43 4.05 2.04 -0.49 0.15 117.51 123.36 1i5t h ILE 95 Ca 0.08 -0.21 0.07 0.00 1.00 0.00 0.00 64.86 65.80 1i5t h ILE 95 Cb 0.57 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 1i5t h ILE 95 CO -0.33 0.11 0.09 0.00 0.00 0.00 0.00 178.15 178.02 1i5t h ALA 96 N 1.31 0.48 0.38 1.87 0.00 -0.53 0.50 119.26 123.26 1i5t h ALA 96 Ca 0.27 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1i5t h ALA 96 Cb 0.15 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1i5t h ALA 96 CO -0.17 -0.31 -0.36 -0.92 0.00 0.00 0.00 179.25 177.49 1i5t h TYR 97 N 0.22 -0.98 -0.98 0.00 3.20 -0.07 -2.79 116.97 115.58 1i5t h TYR 97 Ca 0.21 0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.24 1i5t h TYR 97 Cb 0.26 0.38 -0.09 0.00 1.54 0.00 0.00 36.73 38.82 1i5t h TYR 97 CO -0.21 -0.51 0.61 -0.07 -1.64 0.00 0.00 178.16 176.35 1i5t h LEU 98 N -0.76 0.79 -0.46 2.82 3.38 -0.01 0.31 115.31 121.37 1i5t h LEU 98 Ca -0.03 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.10 1i5t h LEU 98 Cb 0.68 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.26 1i5t h LEU 98 CO -0.05 0.36 -0.03 0.50 0.09 0.00 0.00 178.44 179.30 1i5t h LYS 99 N 0.81 0.08 0.58 1.13 3.64 -0.73 0.54 116.57 122.61 1i5t h LYS 99 Ca 0.52 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.87 1i5t h LYS 99 Cb 0.74 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1i5t h LYS 99 CO -0.29 0.05 -0.28 0.87 -2.27 0.00 0.00 179.45 177.53 1i5t h LYS 100 N 0.08 -0.75 -0.65 1.90 1.79 -0.36 -3.27 116.57 115.31 1i5t h LYS 100 Ca 0.23 0.05 0.14 0.00 -2.18 0.00 0.00 60.65 58.89 1i5t h LYS 100 Cb 0.35 0.17 -0.10 0.00 -1.58 0.00 0.00 32.23 31.06 1i5t h LYS 100 CO -0.41 -0.50 0.09 0.00 -1.08 0.00 0.00 179.45 177.56 1i5t h ALA 101 N -1.59 0.75 0.00 3.86 0.00 0.06 0.41 119.26 122.75 1i5t h ALA 101 Ca -0.08 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1i5t h ALA 101 Cb 0.59 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1i5t h ALA 101 CO 0.13 -0.35 0.00 1.79 0.00 0.00 0.00 179.25 180.82 1i5t h THR 102 N 0.21 0.00 0.04 0.00 1.35 -1.05 -3.01 112.91 110.45 1i5t h THR 102 Ca 0.35 -0.41 -0.38 0.00 -0.55 0.00 0.00 66.41 65.43 1i5t h THR 102 Cb 0.57 1.28 -0.05 0.00 -1.73 0.00 0.00 68.15 68.22 1i5t h THR 102 CO -0.49 0.00 -2.29 0.59 -0.25 0.00 0.00 175.52 173.08 1i5t n ASN 103 N -2.55 1.82 0.00 5.36 3.02 0.20 -3.55 115.26 119.56 1i5t n ASN 103 Ca 0.02 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1i5t n ASN 103 Cb 0.31 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 1i5t n ASN 103 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85