#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3k h ASN 25 N 0.00 -0.10 0.52 1.67 2.35 -2.03 -1.83 115.58 116.16 1p3k h ASN 25 Ca 0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 1p3k h ASN 25 Cb 0.00 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1p3k h ASN 25 CO 0.00 0.48 0.00 -0.29 -1.65 0.00 0.00 177.43 175.97 1p3k h ILE 26 N -0.73 0.00 0.00 2.81 6.09 -2.01 0.32 117.51 123.99 1p3k h ILE 26 Ca -0.01 -0.25 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 1p3k h ILE 26 Cb 0.57 1.21 0.00 0.00 0.47 0.00 0.00 36.82 39.07 1p3k h ILE 26 CO 0.02 0.00 -0.28 0.00 -3.07 0.00 0.00 178.15 174.82 1p3k n GLN 27 N -3.00 0.08 0.25 2.19 1.13 -1.18 -3.11 117.38 113.74 1p3k n GLN 27 Ca -0.01 0.04 0.14 0.00 -1.94 0.00 0.00 57.00 55.23 1p3k n GLN 27 Cb 0.19 -1.57 0.49 0.00 0.11 0.00 0.00 30.24 29.46 1p3k n GLN 27 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1p3k h GLY 28 N 4.86 0.00 -7.28 1.08 0.00 0.53 -3.35 103.07 98.91 1p3k h GLY 28 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 1p3k h GLY 28 CO 0.00 0.00 0.65 -0.42 0.00 0.00 0.00 176.54 176.77 1p3k s ILE 29 N -3.54 4.34 0.44 2.60 -1.09 -1.18 -4.99 121.20 117.78 1p3k s ILE 29 Ca 0.02 -0.52 -0.10 0.00 -2.23 0.00 0.00 60.65 57.82 1p3k s ILE 29 Cb 0.08 -4.72 -0.06 0.00 -1.58 0.00 0.00 42.46 36.18 1p3k s ILE 29 CO 0.60 -1.50 0.81 0.42 -1.23 0.00 0.00 174.94 174.03 1p3k s THR 30 N 3.98 4.77 0.17 2.92 -4.23 -1.26 -4.88 115.64 117.12 1p3k s THR 30 Ca 0.25 0.64 -0.27 0.00 -1.18 0.00 0.00 61.69 61.13 1p3k s THR 30 Cb -0.14 -3.75 0.02 0.00 1.34 0.00 0.00 72.50 69.97 1p3k s THR 30 CO 0.07 -0.61 1.56 0.50 -0.54 0.00 0.00 174.62 175.59 1p3k h LYS 31 N 1.01 -0.16 -0.71 3.99 3.64 -1.94 0.44 116.57 122.84 1p3k h LYS 31 Ca -0.47 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.08 1p3k h LYS 31 Cb 1.19 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.93 1p3k h LYS 31 CO 0.63 -0.11 0.09 -1.35 -2.27 0.00 0.00 179.45 176.45 1p3k h PRO 32 N -0.17 0.18 -0.09 1.90 0.11 -1.98 0.96 132.00 132.92 1p3k h PRO 32 Ca 0.19 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1p3k h PRO 32 Cb 0.54 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 1p3k h PRO 32 CO -0.77 0.12 0.00 0.00 -0.21 0.00 0.00 178.00 177.14 1p3k h ALA 33 N 1.62 0.12 -0.61 -0.75 0.00 -1.38 0.49 119.26 118.76 1p3k h ALA 33 Ca 0.39 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1p3k h ALA 33 Cb 0.68 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1p3k h ALA 33 CO -0.55 -0.20 0.37 0.82 0.00 0.00 0.00 179.25 179.69 1p3k h ILE 34 N -0.11 1.17 -0.43 0.00 2.04 0.11 0.13 117.51 120.41 1p3k h ILE 34 Ca 0.03 -0.36 -0.14 0.00 1.00 0.00 0.00 64.86 65.39 1p3k h ILE 34 Cb 0.34 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1p3k h ILE 34 CO 0.00 0.17 -0.28 -0.09 0.00 0.00 0.00 178.15 177.96 1p3k h ARG 35 N 0.83 0.96 -0.90 2.37 2.43 0.11 -2.06 114.38 118.12 1p3k h ARG 35 Ca 0.22 -0.45 0.04 0.00 -0.81 0.00 0.00 59.98 58.98 1p3k h ARG 35 Cb -0.05 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.44 1p3k h ARG 35 CO -0.04 1.12 0.58 0.00 -1.51 0.00 0.00 179.97 180.11 1p3k h ARG 36 N 0.80 1.07 0.81 0.20 3.08 0.15 -1.43 114.38 119.05 1p3k h ARG 36 Ca 0.09 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1p3k h ARG 36 Cb 0.87 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 30.68 1p3k h ARG 36 CO 0.08 0.71 -0.39 -0.07 -1.07 0.00 0.00 179.97 179.23 1p3k h LEU 37 N 1.10 -0.92 -0.94 3.04 3.38 -0.91 -2.84 115.31 117.22 1p3k h LEU 37 Ca 0.37 0.02 0.29 0.00 0.09 0.00 0.00 57.88 58.64 1p3k h LEU 37 Cb 0.05 0.24 -0.15 0.00 0.09 0.00 0.00 40.66 40.88 1p3k h LEU 37 CO -0.13 -0.58 0.34 0.00 0.09 0.00 0.00 178.44 178.15 1p3k h ALA 38 N -1.12 1.56 0.02 1.53 0.00 -1.19 0.53 119.26 120.58 1p3k h ALA 38 Ca -0.11 0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1p3k h ALA 38 Cb 0.84 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1p3k h ALA 38 CO 0.18 -0.57 -0.15 0.00 0.00 0.00 0.00 179.25 178.71 1p3k h ARG 39 N 0.19 -0.25 -0.37 0.00 2.47 -1.11 -0.08 114.38 115.23 1p3k h ARG 39 Ca 0.65 0.02 0.11 0.00 -1.26 0.00 0.00 59.98 59.49 1p3k h ARG 39 Cb 1.42 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.78 1p3k h ARG 39 CO -0.69 -0.17 0.33 -0.09 0.56 0.00 0.00 179.97 179.91 1p3k h ARG 40 N -0.26 0.00 -0.59 0.04 2.43 -0.68 0.18 114.38 115.50 1p3k h ARG 40 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1p3k h ARG 40 Cb 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1p3k h ARG 40 CO -0.13 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.74 1p3k n GLY 41 N -1.53 1.44 2.06 2.80 0.00 -0.11 -4.91 105.19 104.95 1p3k n GLY 41 Ca 0.06 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 45.67 1p3k n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p3k n GLY 42 N 0.66 0.48 3.63 -0.02 0.00 0.63 -5.03 105.19 105.54 1p3k n GLY 42 Ca 0.12 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1p3k n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p3k s VAL 43 N -1.99 4.76 -0.15 1.61 1.01 -0.81 -4.97 120.40 119.86 1p3k s VAL 43 Ca 0.00 1.45 -0.15 0.00 0.00 0.00 0.00 61.98 63.28 1p3k s VAL 43 Cb 0.00 -4.18 -0.12 0.00 0.00 0.00 0.00 36.38 32.08 1p3k s VAL 43 CO 0.00 -0.21 0.17 0.50 0.00 0.00 0.00 175.10 175.56 1p3k h LYS 44 N 7.91 0.00 -5.49 2.72 3.64 -1.94 -3.39 116.57 120.02 1p3k h LYS 44 Ca -0.23 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.49 1p3k h LYS 44 Cb 1.09 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 32.66 1p3k h LYS 44 CO 0.91 0.50 -0.74 0.50 -2.27 0.00 0.00 179.45 178.34 1p3k s ARG 45 N -2.12 3.30 -0.23 1.90 6.06 -1.26 -5.11 118.95 121.49 1p3k s ARG 45 Ca -0.17 -0.64 0.01 0.00 -2.50 0.00 0.00 55.73 52.43 1p3k s ARG 45 Cb 0.02 -2.66 0.03 0.00 0.06 0.00 0.00 34.95 32.40 1p3k s ARG 45 CO 0.38 0.30 -0.13 0.42 -2.50 0.00 0.00 175.30 173.77 1p3k s ILE 46 N 0.14 2.35 1.13 4.11 1.01 -1.26 -5.12 121.20 123.56 1p3k s ILE 46 Ca -0.05 -1.18 -0.18 0.00 0.00 0.00 0.00 60.65 59.24 1p3k s ILE 46 Cb -0.15 -2.17 0.14 0.00 0.01 0.00 0.00 42.46 40.29 1p3k s ILE 46 CO 0.04 0.26 0.16 -0.24 0.00 0.00 0.00 174.94 175.17 1p3k n SER 47 N 4.58 -2.29 0.07 3.58 2.88 -1.26 -4.93 113.62 116.25 1p3k n SER 47 Ca -0.17 -0.14 -0.09 0.00 -1.33 0.00 0.00 58.87 57.14 1p3k n SER 47 Cb 0.47 -1.00 -0.12 0.00 -0.75 0.00 0.00 64.21 62.81 1p3k n SER 47 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1p3k h GLY 48 N -2.18 0.07 -0.31 0.46 0.00 -2.06 -3.33 103.07 95.72 1p3k h GLY 48 Ca -0.55 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1p3k h GLY 48 CO 0.40 0.16 0.00 1.04 0.00 0.00 0.00 176.54 178.14 1p3k n LEU 49 N -3.41 0.91 0.28 3.11 4.77 -1.26 -4.26 117.00 117.15 1p3k n LEU 49 Ca -0.02 -0.40 -0.15 0.00 -0.03 0.00 0.00 56.01 55.41 1p3k n LEU 49 Cb 0.95 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.88 1p3k n LEU 49 CO 0.48 0.20 0.50 0.40 -1.33 0.00 0.00 177.39 177.65 1p3k h ILE 50 N 1.13 0.35 -0.84 -0.08 1.08 -1.95 -2.97 117.51 114.23 1p3k h ILE 50 Ca 0.00 -0.35 0.21 0.00 -0.39 0.00 0.00 64.86 64.33 1p3k h ILE 50 Cb 0.25 0.46 -0.15 0.00 -3.07 0.00 0.00 36.82 34.32 1p3k h ILE 50 CO 0.00 0.04 0.04 1.88 -0.69 0.00 0.00 178.15 179.43 1p3k h TYR 51 N -0.98 0.01 -0.24 1.37 0.05 -1.85 1.09 116.97 116.42 1p3k h TYR 51 Ca -0.07 0.06 -0.11 0.00 0.05 0.00 0.00 58.73 58.65 1p3k h TYR 51 Cb 0.63 0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.49 1p3k h TYR 51 CO 0.00 -0.29 -0.33 0.93 -1.05 0.00 0.00 178.16 177.43 1p3k h GLU 52 N 0.10 0.51 -0.11 4.88 4.39 -1.84 -2.43 114.58 120.08 1p3k h GLU 52 Ca 0.48 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.93 1p3k h GLU 52 Cb 0.91 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1p3k h GLU 52 CO -0.74 0.78 -0.03 1.49 -1.16 0.00 0.00 179.01 179.36 1p3k h GLU 53 N 0.44 0.21 -0.50 2.33 4.57 0.12 -2.96 114.58 118.78 1p3k h GLU 53 Ca 0.05 -0.08 0.10 0.00 -1.18 0.00 0.00 59.36 58.25 1p3k h GLU 53 Cb 0.79 -0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 29.29 1p3k h GLU 53 CO 0.06 0.52 0.02 1.15 -1.18 0.00 0.00 179.01 179.58 1p3k h THR 54 N -0.11 0.63 -0.04 0.32 2.02 0.11 -2.12 112.91 113.71 1p3k h THR 54 Ca 0.03 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.17 1p3k h THR 54 Cb 0.44 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1p3k h THR 54 CO 0.01 0.03 -0.05 0.03 0.37 0.00 0.00 175.52 175.91 1p3k h ARG 55 N 0.14 -0.07 -0.80 6.66 3.08 -1.44 -0.16 114.38 121.79 1p3k h ARG 55 Ca 0.26 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.49 1p3k h ARG 55 Cb 0.38 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.39 1p3k h ARG 55 CO -0.40 -0.05 0.54 0.78 -1.07 0.00 0.00 179.97 179.77 1p3k h GLY 56 N -0.07 0.66 0.71 0.04 0.00 -1.24 0.71 103.07 103.87 1p3k h GLY 56 Ca 0.04 -0.15 -0.13 0.00 0.00 0.00 0.00 47.33 47.08 1p3k h GLY 56 CO -0.08 0.03 -0.51 -2.08 0.00 0.00 0.00 176.54 173.89 1p3k h VAL 57 N 0.35 1.45 -0.63 4.60 2.07 -0.82 -2.60 116.25 120.67 1p3k h VAL 57 Ca 0.40 -2.03 0.01 0.00 0.82 0.00 0.00 66.70 65.90 1p3k h VAL 57 Cb 1.05 2.61 -0.03 0.00 -1.52 0.00 0.00 31.29 33.40 1p3k h VAL 57 CO -0.12 0.58 0.42 0.25 0.02 0.00 0.00 177.57 178.72 1p3k h LEU 58 N -0.18 0.70 -0.12 2.57 5.85 0.92 -0.56 115.31 124.49 1p3k h LEU 58 Ca -0.06 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1p3k h LEU 58 Cb 1.23 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1p3k h LEU 58 CO 0.10 0.50 0.03 0.50 -0.34 0.00 0.00 178.44 179.23 1p3k h LYS 59 N 0.82 0.19 -0.76 1.25 3.64 0.35 -1.51 116.57 120.55 1p3k h LYS 59 Ca 0.24 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1p3k h LYS 59 Cb -0.05 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 1p3k h LYS 59 CO -0.06 0.35 0.43 0.28 -2.27 0.00 0.00 179.45 178.18 1p3k h VAL 60 N 0.00 1.22 0.79 2.00 2.07 -0.97 -0.59 116.25 120.77 1p3k h VAL 60 Ca 0.04 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1p3k h VAL 60 Cb 0.24 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1p3k h VAL 60 CO -0.00 0.24 -0.48 0.15 0.02 0.00 0.00 177.57 177.50 1p3k h PHE 61 N 1.05 -1.27 -0.66 1.57 3.57 -0.80 -0.77 116.94 119.63 1p3k h PHE 61 Ca 0.27 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.80 1p3k h PHE 61 Cb 0.00 0.45 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 1p3k h PHE 61 CO 0.01 -0.72 0.38 -0.07 -2.23 0.00 0.00 178.31 175.68 1p3k h LEU 62 N -1.19 0.60 -1.38 0.59 3.38 -1.10 -0.85 115.31 115.36 1p3k h LEU 62 Ca -0.11 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1p3k h LEU 62 Cb 0.95 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 1p3k h LEU 62 CO 0.11 0.40 0.45 -0.33 0.09 0.00 0.00 178.44 179.16 1p3k h GLU 63 N 0.73 0.79 -0.01 1.13 5.08 -0.95 0.38 114.58 121.73 1p3k h GLU 63 Ca 0.28 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1p3k h GLU 63 Cb 0.11 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1p3k h GLU 63 CO -0.15 0.52 -0.02 -0.91 -1.00 0.00 0.00 179.01 177.46 1p3k h ASN 64 N 0.81 0.03 -0.06 1.42 2.35 -0.27 -2.70 115.58 117.16 1p3k h ASN 64 Ca 0.27 -0.58 -0.01 0.00 -0.55 0.00 0.00 56.30 55.43 1p3k h ASN 64 Cb 0.07 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 1p3k h ASN 64 CO -0.08 0.60 -0.00 0.58 -1.65 0.00 0.00 177.43 176.88 1p3k h VAL 65 N -0.55 1.26 -0.08 2.81 2.07 -0.86 -3.15 116.25 117.76 1p3k h VAL 65 Ca 0.00 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1p3k h VAL 65 Cb 0.60 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1p3k h VAL 65 CO 0.00 0.23 0.05 0.40 0.02 0.00 0.00 177.57 178.27 1p3k h ILE 66 N -0.20 1.04 -0.72 4.57 2.04 -0.39 -0.41 117.51 123.45 1p3k h ILE 66 Ca 0.02 -0.10 0.13 0.00 1.00 0.00 0.00 64.86 65.90 1p3k h ILE 66 Cb 0.36 0.97 -0.13 0.00 -0.74 0.00 0.00 36.82 37.28 1p3k h ILE 66 CO 0.00 0.04 -0.30 -0.09 0.00 0.00 0.00 178.15 177.80 1p3k h ARG 67 N 0.08 -0.08 -0.21 2.37 2.43 -1.54 0.91 114.38 118.34 1p3k h ARG 67 Ca 0.03 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1p3k h ARG 67 Cb 0.02 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1p3k h ARG 67 CO -0.01 -0.05 0.13 -0.44 -1.51 0.00 0.00 179.97 178.09 1p3k h ASP 68 N -0.08 0.25 -0.45 -3.80 5.19 -1.44 -0.84 116.42 115.24 1p3k h ASP 68 Ca 0.30 -0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.66 1p3k h ASP 68 Cb 0.56 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.99 1p3k h ASP 68 CO -0.77 0.22 0.28 0.00 -3.12 0.00 0.00 179.24 175.85 1p3k h ALA 69 N 1.04 0.57 0.00 3.45 0.00 0.78 -1.89 119.26 123.21 1p3k h ALA 69 Ca 0.08 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1p3k h ALA 69 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1p3k h ALA 69 CO -0.01 0.05 -0.21 0.28 0.00 0.00 0.00 179.25 179.35 1p3k h VAL 70 N 0.60 0.84 -0.42 0.00 2.07 0.97 -1.62 116.25 118.68 1p3k h VAL 70 Ca 0.16 -0.83 -0.12 0.00 0.82 0.00 0.00 66.70 66.73 1p3k h VAL 70 Cb -0.02 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1p3k h VAL 70 CO -0.03 0.21 -0.21 0.74 0.02 0.00 0.00 177.57 178.30 1p3k h THR 71 N 0.00 1.27 -0.23 2.57 2.02 -0.39 -2.15 112.91 116.01 1p3k h THR 71 Ca -0.00 -1.34 -0.09 0.00 0.77 0.00 0.00 66.41 65.75 1p3k h THR 71 Cb 0.48 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1p3k h THR 71 CO 0.03 0.45 -0.25 1.88 0.37 0.00 0.00 175.52 178.00 1p3k h TYR 72 N 0.74 0.48 -0.13 3.16 0.99 -0.72 -1.33 116.97 120.16 1p3k h TYR 72 Ca 0.10 -0.10 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 1p3k h TYR 72 Cb 0.74 -0.12 -0.01 0.00 1.00 0.00 0.00 36.73 38.35 1p3k h TYR 72 CO 0.04 0.65 0.05 1.15 -0.00 0.00 0.00 178.16 180.05 1p3k h THR 73 N 0.38 1.15 -0.68 -2.88 2.02 -1.06 -2.67 112.91 109.18 1p3k h THR 73 Ca 0.06 -0.47 -0.07 0.00 0.77 0.00 0.00 66.41 66.70 1p3k h THR 73 Cb 0.65 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.26 1p3k h THR 73 CO 0.05 0.14 0.14 -0.33 0.37 0.00 0.00 175.52 175.89 1p3k h GLU 74 N 0.05 1.10 -0.66 6.66 5.08 -1.25 -2.28 114.58 123.27 1p3k h GLU 74 Ca 0.04 -0.28 0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1p3k h GLU 74 Cb 0.18 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1p3k h GLU 74 CO -0.00 0.99 0.44 1.25 -1.00 0.00 0.00 179.01 180.68 1p3k h HIS 75 N 1.04 0.78 -0.00 4.33 2.76 -1.08 0.37 115.15 123.35 1p3k h HIS 75 Ca 0.21 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 1p3k h HIS 75 Cb 0.40 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.10 1p3k h HIS 75 CO 0.03 0.46 -0.00 0.00 -1.30 0.00 0.00 177.93 177.12 1p3k n ALA 76 N -2.44 2.67 -3.55 5.26 0.00 -0.96 -4.92 120.51 116.57 1p3k n ALA 76 Ca 0.08 -0.22 -0.22 0.00 0.00 0.00 0.00 53.44 53.08 1p3k n ALA 76 Cb 0.11 -1.48 0.08 0.00 0.00 0.00 0.00 19.45 18.16 1p3k n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p3k n LYS 77 N -0.91 -7.54 -4.35 0.00 5.02 0.13 -5.01 118.16 105.49 1p3k n LYS 77 Ca 0.23 0.83 -0.25 0.00 -2.02 0.00 0.00 58.31 57.10 1p3k n LYS 77 Cb 0.15 -5.88 -0.09 0.00 -0.02 0.00 0.00 35.03 29.19 1p3k n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1p3k s ARG 78 N -6.01 2.07 0.00 1.97 0.52 -0.93 -5.04 118.95 111.53 1p3k s ARG 78 Ca 0.40 -1.81 0.10 0.00 -0.52 0.00 0.00 55.73 53.90 1p3k s ARG 78 Cb -0.18 -1.89 0.13 0.00 0.52 0.00 0.00 34.95 33.53 1p3k s ARG 78 CO 0.73 0.08 0.92 1.63 0.02 0.00 0.00 175.30 178.68 1p3k n LYS 79 N -0.98 0.97 -4.07 3.54 5.02 -1.26 -4.52 118.16 116.85 1p3k n LYS 79 Ca -0.04 -1.31 -0.33 0.00 -2.02 0.00 0.00 58.31 54.61 1p3k n LYS 79 Cb 0.63 -1.21 -0.15 0.00 -0.02 0.00 0.00 35.03 34.28 1p3k n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1p3k s THR 80 N -0.89 2.23 -0.01 -0.18 2.01 -1.26 -5.09 115.64 112.44 1p3k s THR 80 Ca 0.14 -1.27 -0.30 0.00 0.31 0.00 0.00 61.69 60.57 1p3k s THR 80 Cb 0.09 -2.14 -0.06 0.00 0.01 0.00 0.00 72.50 70.40 1p3k s THR 80 CO 0.13 0.23 1.61 -0.69 -0.69 0.00 0.00 174.62 175.22 1p3k s VAL 81 N 1.21 3.43 0.31 3.82 1.01 -1.26 -4.95 120.40 123.97 1p3k s VAL 81 Ca -0.02 0.70 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1p3k s VAL 81 Cb -0.17 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1p3k s VAL 81 CO -0.08 -0.03 0.47 0.42 0.00 0.00 0.00 175.10 175.88 1p3k s THR 82 N 3.32 4.89 0.34 3.92 -4.23 -1.26 -4.97 115.64 117.66 1p3k s THR 82 Ca 0.72 -0.76 0.05 0.00 -1.18 0.00 0.00 61.69 60.52 1p3k s THR 82 Cb -0.35 -3.75 0.30 0.00 1.34 0.00 0.00 72.50 70.04 1p3k s THR 82 CO 0.30 -0.38 1.92 0.00 -0.54 0.00 0.00 174.62 175.92 1p3k h ALA 83 N 0.91 1.69 -0.41 3.99 0.00 -1.94 0.11 119.26 123.60 1p3k h ALA 83 Ca -0.50 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 1p3k h ALA 83 Cb 1.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1p3k h ALA 83 CO 0.59 0.16 -0.06 0.52 0.00 0.00 0.00 179.25 180.46 1p3k h MET 84 N 0.81 0.70 -0.86 0.00 2.86 -1.95 -0.14 114.93 116.36 1p3k h MET 84 Ca 0.37 -0.20 0.08 0.00 -2.06 0.00 0.00 59.70 57.89 1p3k h MET 84 Cb 0.36 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.89 1p3k h MET 84 CO -0.14 0.76 0.56 -0.44 1.06 0.00 0.00 176.91 178.70 1p3k h ASP 85 N 0.65 0.79 -0.00 1.22 3.32 -1.14 0.32 116.42 121.57 1p3k h ASP 85 Ca 0.12 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 1p3k h ASP 85 Cb 0.49 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1p3k h ASP 85 CO 0.03 0.48 -0.19 0.58 -1.72 0.00 0.00 179.24 178.42 1p3k h VAL 86 N 0.88 1.56 -0.69 -1.35 2.07 -0.89 -3.01 116.25 114.81 1p3k h VAL 86 Ca 0.38 -1.89 0.11 0.00 0.82 0.00 0.00 66.70 66.12 1p3k h VAL 86 Cb 0.34 2.76 -0.08 0.00 -1.52 0.00 0.00 31.29 32.79 1p3k h VAL 86 CO -0.15 0.51 0.30 0.58 0.02 0.00 0.00 177.57 178.83 1p3k h VAL 87 N -0.55 0.77 -0.23 2.57 2.07 -0.57 0.24 116.25 120.55 1p3k h VAL 87 Ca -0.02 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 1p3k h VAL 87 Cb 0.94 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1p3k h VAL 87 CO 0.04 0.09 -0.14 1.88 0.02 0.00 0.00 177.57 179.46 1p3k h TYR 88 N 0.50 0.41 -0.05 1.57 0.99 -1.04 -1.65 116.97 117.69 1p3k h TYR 88 Ca 0.35 -0.06 -0.09 0.00 2.00 0.00 0.00 58.73 60.93 1p3k h TYR 88 Cb 0.44 -0.11 0.00 0.00 1.00 0.00 0.00 36.73 38.06 1p3k h TYR 88 CO -0.14 0.51 -0.33 0.00 -0.00 0.00 0.00 178.16 178.20 1p3k h ALA 89 N 1.50 0.11 -0.97 3.88 0.00 -0.94 -3.02 119.26 119.82 1p3k h ALA 89 Ca 0.07 -0.45 0.07 0.00 0.00 0.00 0.00 54.91 54.59 1p3k h ALA 89 Cb 0.46 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1p3k h ALA 89 CO 0.03 0.18 0.62 -0.07 0.00 0.00 0.00 179.25 180.01 1p3k h LEU 90 N -0.20 0.98 -0.80 0.00 3.38 -0.53 -1.42 115.31 116.73 1p3k h LEU 90 Ca -0.03 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1p3k h LEU 90 Cb 1.00 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 1p3k h LEU 90 CO 0.07 0.62 0.39 0.50 0.09 0.00 0.00 178.44 180.11 1p3k h LYS 91 N 1.11 1.14 0.00 1.13 3.64 -1.23 0.35 116.57 122.71 1p3k h LYS 91 Ca 0.43 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1p3k h LYS 91 Cb 0.20 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1p3k h LYS 91 CO -0.18 0.88 -0.02 2.89 -2.27 0.00 0.00 179.45 180.74 1p3k n ARG 92 N -4.37 0.27 0.00 1.90 1.85 -1.00 -1.64 116.66 113.68 1p3k n ARG 92 Ca 0.07 0.22 0.14 0.00 -1.00 0.00 0.00 57.85 57.29 1p3k n ARG 92 Cb 0.13 -1.81 0.65 0.00 -1.05 0.00 0.00 32.46 30.38 1p3k n ARG 92 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1p3k n GLN 93 N -2.29 0.35 -0.92 2.89 1.13 -0.57 -4.88 117.38 113.10 1p3k n GLN 93 Ca 0.05 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1p3k n GLN 93 Cb 0.43 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.29 1p3k n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p3k n GLY 94 N 1.35 0.46 2.40 1.08 0.00 -0.65 -4.96 105.19 104.87 1p3k n GLY 94 Ca 0.12 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 1p3k n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p3k n ARG 95 N -2.92 3.17 -1.41 1.61 5.12 0.11 -4.99 116.66 117.36 1p3k n ARG 95 Ca 0.00 -3.92 -0.55 0.00 -1.93 0.00 0.00 57.85 51.45 1p3k n ARG 95 Cb 0.00 -2.27 -0.08 0.00 -1.16 0.00 0.00 32.46 28.95 1p3k n ARG 95 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1p3k n THR 96 N -0.66 0.00 -4.65 0.55 -1.04 -1.23 -4.56 114.28 102.68 1p3k n THR 96 Ca 0.49 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 62.21 1p3k n THR 96 Cb 0.66 -0.01 -0.17 0.00 -1.82 0.00 0.00 70.33 69.00 1p3k n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1p3k s LEU 97 N 0.05 1.82 -0.04 -4.42 2.96 -1.26 -4.99 118.68 112.79 1p3k s LEU 97 Ca 0.85 -0.45 -0.09 0.00 -0.22 0.00 0.00 54.13 54.22 1p3k s LEU 97 Cb -1.19 -1.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.31 1p3k s LEU 97 CO 0.54 0.05 0.26 -0.31 -1.32 0.00 0.00 176.35 175.58 1p3k s TYR 98 N 0.78 3.63 0.00 5.38 2.02 -1.26 -4.61 117.35 123.29 1p3k s TYR 98 Ca -0.11 0.69 0.00 0.00 -0.37 0.00 0.00 57.07 57.28 1p3k s TYR 98 Cb -0.16 -2.06 0.00 0.00 -0.40 0.00 0.00 41.96 39.34 1p3k s TYR 98 CO 0.02 0.67 0.00 0.41 -1.57 0.00 0.00 175.55 175.07 1p3k n GLY 99 N 1.64 1.76 2.44 0.71 0.00 -1.26 -5.01 105.19 105.47 1p3k n GLY 99 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 1p3k n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1p3k n PHE 100 N -0.01 2.04 0.00 1.61 3.01 -1.26 -5.10 117.46 117.75 1p3k n PHE 100 Ca 0.00 -2.25 0.00 0.00 1.01 0.00 0.00 57.45 56.21 1p3k n PHE 100 Cb 0.00 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.19 1p3k n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p3k n GLY 101 N -0.62 3.01 3.56 1.37 0.00 -1.26 -4.43 105.19 106.83 1p3k n GLY 101 Ca 0.26 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1p3k n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93