#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kne h ASP 2 N 0.00 0.00 -3.13 0.00 3.32 -1.97 -3.38 116.42 111.26 2kne h ASP 2 Ca 0.00 0.00 -0.76 0.00 0.02 0.00 0.00 57.03 56.29 2kne h ASP 2 Cb 0.00 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.31 2kne h ASP 2 CO 0.00 0.00 -0.22 -1.10 -1.72 0.00 0.00 179.24 176.20 2kne s GLN 3 N -3.60 2.97 -0.01 3.56 1.11 -1.26 -4.83 119.66 117.60 2kne s GLN 3 Ca 0.02 -1.74 0.10 0.00 0.01 0.00 0.00 55.36 53.75 2kne s GLN 3 Cb 0.09 -4.28 -0.16 0.00 -1.01 0.00 0.00 33.01 27.66 2kne s GLN 3 CO 0.48 -1.32 0.23 1.28 0.01 0.00 0.00 175.29 175.98 2kne n LEU 4 N 5.19 0.02 -4.75 2.90 4.77 -1.26 -4.98 117.00 118.89 2kne n LEU 4 Ca -0.13 -0.02 -0.40 0.00 -0.03 0.00 0.00 56.01 55.43 2kne n LEU 4 Cb 0.40 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 2kne n LEU 4 CO 0.53 0.01 0.63 0.42 -1.33 0.00 0.00 177.39 177.65 2kne s THR 5 N -2.67 4.16 0.14 -5.08 -4.23 -1.26 -4.96 115.64 101.74 2kne s THR 5 Ca -0.03 2.05 -0.25 0.00 -1.18 0.00 0.00 61.69 62.27 2kne s THR 5 Cb 0.07 -4.31 -0.00 0.00 1.34 0.00 0.00 72.50 69.60 2kne s THR 5 CO 0.42 0.48 1.61 -0.08 -0.54 0.00 0.00 174.62 176.51 2kne h GLU 6 N 4.35 -0.34 -0.98 3.99 4.57 -2.02 -1.52 114.58 122.63 2kne h GLU 6 Ca -0.45 0.02 0.36 0.00 -1.18 0.00 0.00 59.36 58.12 2kne h GLU 6 Cb 1.20 0.08 -0.12 0.00 -0.16 0.00 0.00 28.75 29.75 2kne h GLU 6 CO 0.68 -0.22 0.60 -1.91 -1.18 0.00 0.00 179.01 176.98 2kne n GLU 7 N -5.40 -0.04 -0.06 1.92 0.00 -1.26 0.23 120.64 116.03 2kne n GLU 7 Ca -0.02 1.03 -0.09 0.00 0.00 0.00 0.00 57.16 58.08 2kne n GLU 7 Cb 0.32 -1.96 0.06 0.00 0.00 0.00 0.00 31.44 29.86 2kne n GLU 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 2kne h GLN 8 N 0.00 0.74 -0.48 5.31 4.20 -1.67 -1.23 115.11 121.98 2kne h GLN 8 Ca 0.69 -0.35 0.02 0.00 0.06 0.00 0.00 58.65 59.07 2kne h GLN 8 Cb 2.07 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.82 2kne h GLN 8 CO -0.46 0.97 0.28 0.82 -0.67 0.00 0.00 178.83 179.76 2kne h ILE 9 N 0.62 1.04 -0.22 2.54 2.04 0.28 -0.25 117.51 123.56 2kne h ILE 9 Ca 0.06 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.79 2kne h ILE 9 Cb 0.87 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 2kne h ILE 9 CO 0.08 0.10 -0.15 0.00 0.00 0.00 0.00 178.15 178.18 2kne h ALA 10 N 1.22 0.01 -0.27 1.87 0.00 -1.01 0.11 119.26 121.19 2kne h ALA 10 Ca 0.19 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2kne h ALA 10 Cb 0.03 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2kne h ALA 10 CO -0.09 -0.57 0.15 1.49 0.00 0.00 0.00 179.25 180.22 2kne h GLU 11 N -0.14 0.37 -0.57 0.00 4.81 -0.70 -2.87 114.58 115.48 2kne h GLU 11 Ca 0.13 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2kne h GLU 11 Cb 0.34 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 2kne h GLU 11 CO -0.31 0.33 0.20 0.74 -0.73 0.00 0.00 179.01 179.24 2kne h PHE 12 N 0.32 0.84 -0.13 0.92 -1.00 -0.80 -2.93 116.94 114.16 2kne h PHE 12 Ca 0.09 -0.05 0.04 0.00 2.81 0.00 0.00 57.97 60.86 2kne h PHE 12 Cb 0.06 -0.26 -0.04 0.00 3.61 0.00 0.00 35.95 39.33 2kne h PHE 12 CO -0.03 0.67 -0.13 -0.22 -1.61 0.00 0.00 178.31 176.99 2kne h LYS 13 N 0.82 -0.15 -0.90 1.51 3.64 -0.56 -1.40 116.57 119.54 2kne h LYS 13 Ca 0.19 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.74 2kne h LYS 13 Cb 0.20 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 31.96 2kne h LYS 13 CO -0.01 -0.10 0.49 0.93 -2.27 0.00 0.00 179.45 178.48 2kne h GLU 14 N -0.16 0.64 -0.97 1.90 5.08 -1.46 -0.34 114.58 119.28 2kne h GLU 14 Ca 0.09 -0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.54 2kne h GLU 14 Cb 0.28 -0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.31 2kne h GLU 14 CO -0.22 0.42 0.61 0.00 -1.00 0.00 0.00 179.01 178.83 2kne h ALA 15 N 1.59 1.61 -0.88 3.43 0.00 -1.24 -2.32 119.26 121.44 2kne h ALA 15 Ca 0.50 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.51 2kne h ALA 15 Cb 0.73 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 2kne h ALA 15 CO -0.37 0.14 0.54 0.74 0.00 0.00 0.00 179.25 180.30 2kne h PHE 16 N 0.91 0.99 0.00 0.00 -1.00 -0.78 0.02 116.94 117.08 2kne h PHE 16 Ca 0.48 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.29 2kne h PHE 16 Cb 0.55 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 39.80 2kne h PHE 16 CO -0.00 0.47 0.00 -1.13 -1.61 0.00 0.00 178.31 176.03 2kne n SER 17 N -4.64 0.62 -0.18 2.17 3.41 -0.87 -2.22 113.62 111.89 2kne n SER 17 Ca 0.14 0.71 -0.08 0.00 -0.26 0.00 0.00 58.87 59.38 2kne n SER 17 Cb 0.23 -0.82 0.02 0.00 -0.26 0.00 0.00 64.21 63.37 2kne n SER 17 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2kne h LEU 18 N 0.00 0.73 0.00 1.04 5.85 -1.02 -3.29 115.31 118.62 2kne h LEU 18 Ca 0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2kne h LEU 18 Cb 0.19 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2kne h LEU 18 CO 0.00 0.70 -1.02 2.22 -0.34 0.00 0.00 178.44 180.00 2kne n PHE 19 N -4.53 0.00 -2.37 1.25 1.16 -1.15 -4.86 117.46 106.96 2kne n PHE 19 Ca 0.02 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.22 2kne n PHE 19 Cb 0.16 -0.12 -0.03 0.00 -1.61 0.00 0.00 39.48 37.88 2kne n PHE 19 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2kne s ASP 20 N -2.79 5.91 0.04 5.98 1.01 -0.94 -4.79 116.67 121.09 2kne s ASP 20 Ca 0.01 -0.62 -0.21 0.00 0.71 0.00 0.00 52.55 52.44 2kne s ASP 20 Cb 0.10 -2.56 -0.14 0.00 1.01 0.00 0.00 42.92 41.34 2kne s ASP 20 CO 0.57 -2.00 1.40 0.11 0.21 0.00 0.00 175.17 175.46 2kne h LYS 21 N 11.15 0.30 -0.61 8.23 1.79 -1.89 -3.26 116.57 132.28 2kne h LYS 21 Ca -0.07 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 2kne h LYS 21 Cb 1.05 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2kne h LYS 21 CO 1.30 0.63 0.00 -0.40 -1.08 0.00 0.00 179.45 179.90 2kne n ASP 22 N -4.65 4.65 -3.80 0.86 5.75 -1.26 -4.96 116.55 113.13 2kne n ASP 22 Ca -0.06 -2.46 -0.25 0.00 -0.01 0.00 0.00 54.79 52.01 2kne n ASP 22 Cb 0.29 -0.56 -0.07 0.00 -1.03 0.00 0.00 41.12 39.75 2kne n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 23 N 1.00 -0.15 0.13 6.12 0.00 -1.23 -4.75 105.19 106.31 2kne n GLY 23 Ca 0.25 0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.52 2kne n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kne n ASP 24 N -1.89 0.48 0.00 1.61 5.75 -1.26 -4.89 116.55 116.35 2kne n ASP 24 Ca -0.14 -0.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.92 2kne n ASP 24 Cb 0.45 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 2kne n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 25 N 1.22 0.89 3.05 6.12 0.00 -1.26 -5.03 105.19 110.19 2kne n GLY 25 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 2kne n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kne s THR 26 N -2.97 0.41 -0.19 2.61 -4.23 -1.26 -4.80 115.64 105.21 2kne s THR 26 Ca 0.00 -1.18 -0.17 0.00 -1.18 0.00 0.00 61.69 59.16 2kne s THR 26 Cb 0.00 -0.70 -0.04 0.00 1.34 0.00 0.00 72.50 73.10 2kne s THR 26 CO 0.00 -0.52 0.43 -0.63 -0.54 0.00 0.00 174.62 173.37 2kne s ILE 27 N -1.85 5.18 0.33 2.99 1.09 -0.99 -4.94 121.20 123.02 2kne s ILE 27 Ca -0.08 0.79 0.09 0.00 -1.10 0.00 0.00 60.65 60.35 2kne s ILE 27 Cb -0.07 -3.76 -0.05 0.00 -1.06 0.00 0.00 42.46 37.52 2kne s ILE 27 CO -0.01 0.25 0.02 0.28 -0.10 0.00 0.00 174.94 175.38 2kne s THR 28 N 1.28 2.75 0.37 2.92 -1.32 -1.26 -2.59 115.64 117.79 2kne s THR 28 Ca 0.21 -1.94 0.06 0.00 -1.21 0.00 0.00 61.69 58.81 2kne s THR 28 Cb -0.15 -2.81 0.29 0.00 -1.51 0.00 0.00 72.50 68.32 2kne s THR 28 CO 0.08 -0.22 1.96 0.71 -2.21 0.00 0.00 174.62 174.95 2kne h THR 29 N 1.79 1.02 0.83 5.08 1.35 -1.93 -2.21 112.91 118.84 2kne h THR 29 Ca -0.43 -0.25 -0.04 0.00 -0.55 0.00 0.00 66.41 65.14 2kne h THR 29 Cb 1.25 0.22 0.01 0.00 -1.73 0.00 0.00 68.15 67.90 2kne h THR 29 CO 0.65 0.13 -0.40 0.50 -0.25 0.00 0.00 175.52 176.16 2kne h LYS 30 N 0.74 -1.07 0.00 4.72 3.64 -1.99 -2.57 116.57 120.05 2kne h LYS 30 Ca 0.30 0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.72 2kne h LYS 30 Cb 0.25 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2kne h LYS 30 CO -0.10 -0.70 -0.19 1.05 -2.27 0.00 0.00 179.45 177.24 2kne h GLU 31 N -1.16 0.00 0.58 1.90 4.11 -1.87 -2.36 114.58 115.78 2kne h GLU 31 Ca -0.11 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.29 2kne h GLU 31 Cb 0.86 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.11 2kne h GLU 31 CO 0.19 0.19 -0.28 1.25 0.07 0.00 0.00 179.01 180.43 2kne h LEU 32 N 0.00 -0.66 -1.24 3.06 5.85 -1.28 -2.96 115.31 118.08 2kne h LEU 32 Ca -0.00 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.76 2kne h LEU 32 Cb 0.36 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 2kne h LEU 32 CO 0.02 -0.42 0.53 1.23 -0.34 0.00 0.00 178.44 179.47 2kne h GLY 33 N -0.85 1.14 0.79 3.75 0.00 -1.28 -2.53 103.07 104.11 2kne h GLY 33 Ca -0.08 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 2kne h GLY 33 CO 0.13 0.31 -0.24 -0.84 0.00 0.00 0.00 176.54 175.89 2kne h THR 34 N 0.95 0.48 -0.52 4.70 2.02 -1.33 -0.37 112.91 118.85 2kne h THR 34 Ca 0.34 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.58 2kne h THR 34 Cb 0.12 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 66.96 2kne h THR 34 CO -0.11 0.00 0.22 0.58 0.37 0.00 0.00 175.52 176.59 2kne h VAL 35 N -0.56 0.88 -0.79 3.16 2.07 -1.30 -1.51 116.25 118.20 2kne h VAL 35 Ca -0.02 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.39 2kne h VAL 35 Cb 0.49 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 2kne h VAL 35 CO -0.01 0.08 0.50 0.24 0.02 0.00 0.00 177.57 178.40 2kne h MET 36 N 0.43 0.94 -0.88 1.57 2.86 -1.20 -1.62 114.93 117.03 2kne h MET 36 Ca 0.24 -0.06 0.11 0.00 -2.06 0.00 0.00 59.70 57.94 2kne h MET 36 Cb 0.22 -0.21 -0.08 0.00 0.06 0.00 0.00 31.60 31.59 2kne h MET 36 CO -0.21 0.62 0.51 -0.09 1.06 0.00 0.00 176.91 178.80 2kne h ARG 37 N 0.96 0.79 0.00 1.72 2.43 -0.07 0.43 114.38 120.65 2kne h ARG 37 Ca 0.32 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.44 2kne h ARG 37 Cb 0.04 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2kne h ARG 37 CO -0.12 0.52 -0.02 1.03 -1.51 0.00 0.00 179.97 179.87 2kne h SER 38 N 0.82 0.00 0.18 -3.80 0.87 -0.63 0.51 113.55 111.49 2kne h SER 38 Ca 0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 2kne h SER 38 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2kne h SER 38 CO -0.27 0.02 0.00 -0.11 -0.53 0.00 0.00 176.83 175.94 2kne n LEU 39 N -3.25 0.00 0.00 2.23 7.94 0.15 -4.84 117.00 119.24 2kne n LEU 39 Ca -0.02 0.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 2kne n LEU 39 Cb 0.16 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 43.99 2kne n LEU 39 CO 0.24 -0.04 0.00 0.61 -1.11 0.00 0.00 177.39 177.09 2kne n GLY 40 N 0.44 0.66 3.72 -3.96 0.00 0.17 -5.07 105.19 101.16 2kne n GLY 40 Ca 0.14 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 2kne n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kne s GLN 41 N -0.76 2.58 -0.62 1.61 2.00 -1.23 -5.07 119.66 118.16 2kne s GLN 41 Ca 0.00 -1.11 0.05 0.00 -2.00 0.00 0.00 55.36 52.30 2kne s GLN 41 Cb 0.00 -2.41 0.29 0.00 0.80 0.00 0.00 33.01 31.69 2kne s GLN 41 CO 0.00 0.43 0.85 0.09 -0.50 0.00 0.00 175.29 176.16 2kne n ASN 42 N -0.52 4.14 -4.76 6.67 4.13 -1.26 -4.25 115.26 119.40 2kne n ASN 42 Ca -0.08 -3.55 -0.38 0.00 1.68 0.00 0.00 54.58 52.24 2kne n ASN 42 Cb 0.56 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 38.18 2kne n ASN 42 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2kne s PRO 43 N -2.93 3.66 0.63 3.52 0.04 -1.26 -5.01 135.00 133.65 2kne s PRO 43 Ca 0.44 1.98 -0.12 0.00 0.04 0.00 0.00 61.00 63.34 2kne s PRO 43 Cb 0.20 -2.46 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 2kne s PRO 43 CO -0.07 -0.69 1.04 0.99 0.04 0.00 0.00 177.00 178.31 2kne s THR 44 N -1.41 4.45 0.27 1.26 2.01 -1.26 -4.93 115.64 116.03 2kne s THR 44 Ca 0.64 0.84 0.00 0.00 0.31 0.00 0.00 61.69 63.48 2kne s THR 44 Cb -0.34 -3.69 0.25 0.00 0.01 0.00 0.00 72.50 68.73 2kne s THR 44 CO 0.41 -0.99 1.78 -0.08 -0.69 0.00 0.00 174.62 175.05 2kne h GLU 45 N -0.30 0.68 -0.27 4.92 4.57 -2.03 0.13 114.58 122.28 2kne h GLU 45 Ca -0.44 -0.04 0.08 0.00 -1.18 0.00 0.00 59.36 57.78 2kne h GLU 45 Cb 1.20 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 2kne h GLU 45 CO 0.60 0.45 0.32 0.00 -1.18 0.00 0.00 179.01 179.20 2kne h ALA 46 N 1.56 1.90 -0.64 2.92 0.00 -2.01 -0.16 119.26 122.84 2kne h ALA 46 Ca 0.48 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.30 2kne h ALA 46 Cb 0.66 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2kne h ALA 46 CO -0.35 -0.46 0.05 1.49 0.00 0.00 0.00 179.25 179.99 2kne h GLU 47 N 0.00 1.08 -0.89 0.00 4.57 -1.09 -2.32 114.58 115.93 2kne h GLU 47 Ca 0.13 -0.31 0.08 0.00 -1.18 0.00 0.00 59.36 58.08 2kne h GLU 47 Cb 0.77 -0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 29.17 2kne h GLU 47 CO -0.00 1.02 0.54 -0.07 -1.18 0.00 0.00 179.01 179.32 2kne h LEU 48 N 1.00 0.83 0.48 1.64 4.07 -1.11 -1.66 115.31 120.55 2kne h LEU 48 Ca 0.19 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.15 2kne h LEU 48 Cb 0.50 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.10 2kne h LEU 48 CO 0.02 0.50 -0.23 -0.61 -1.08 0.00 0.00 178.44 177.04 2kne h GLN 49 N 0.95 -0.62 -0.29 1.13 4.15 -1.51 -2.38 115.11 116.54 2kne h GLN 49 Ca 0.41 0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.92 2kne h GLN 49 Cb 0.28 0.14 -0.05 0.00 0.21 0.00 0.00 27.48 28.06 2kne h GLN 49 CO -0.21 -0.31 -0.03 0.22 -1.93 0.00 0.00 178.83 176.57 2kne h ASP 50 N -1.00 -0.18 0.13 -0.69 3.58 -1.29 -0.69 116.42 116.28 2kne h ASP 50 Ca -0.07 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 2kne h ASP 50 Cb 0.59 0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.78 2kne h ASP 50 CO 0.11 -0.05 -0.06 0.24 -2.88 0.00 0.00 179.24 176.59 2kne h MET 51 N 0.05 -0.17 -0.08 0.28 2.86 -1.41 -2.51 114.93 113.96 2kne h MET 51 Ca 0.14 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2kne h MET 51 Cb 0.20 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 2kne h MET 51 CO -0.26 0.06 0.02 0.82 1.06 0.00 0.00 176.91 178.61 2kne h ILE 52 N -0.39 0.97 -0.60 -1.22 1.08 -1.36 -2.59 117.51 113.41 2kne h ILE 52 Ca -0.02 -0.02 0.09 0.00 -0.39 0.00 0.00 64.86 64.52 2kne h ILE 52 Cb 0.31 0.91 -0.04 0.00 -3.07 0.00 0.00 36.82 34.94 2kne h ILE 52 CO 0.03 0.01 0.40 0.78 -0.69 0.00 0.00 178.15 178.68 2kne h ASN 53 N 0.06 0.40 -0.59 1.72 2.35 -1.13 0.26 115.58 118.65 2kne h ASN 53 Ca 0.03 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 2kne h ASN 53 Cb 0.02 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 2kne h ASN 53 CO -0.04 0.25 -0.01 -0.08 -1.65 0.00 0.00 177.43 175.90 2kne h GLU 54 N 0.45 1.05 0.00 0.81 4.81 -1.04 -3.07 114.58 117.58 2kne h GLU 54 Ca 0.27 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2kne h GLU 54 Cb 0.48 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 2kne h GLU 54 CO -0.08 1.03 -0.66 0.28 -0.73 0.00 0.00 179.01 178.85 2kne h VAL 55 N 0.94 0.00 -0.92 0.32 2.07 -1.27 -3.43 116.25 113.95 2kne h VAL 55 Ca 0.17 -1.01 -0.60 0.00 0.82 0.00 0.00 66.70 66.08 2kne h VAL 55 Cb 0.57 1.67 -0.08 0.00 -1.52 0.00 0.00 31.29 31.92 2kne h VAL 55 CO 0.03 0.00 1.76 -0.62 0.02 0.00 0.00 177.57 178.76 2kne s ASP 56 N -5.65 6.48 0.32 0.57 2.15 0.03 -4.83 116.67 115.72 2kne s ASP 56 Ca 0.02 -1.89 -0.00 0.00 0.43 0.00 0.00 52.55 51.10 2kne s ASP 56 Cb 0.08 -2.58 0.51 0.00 -0.30 0.00 0.00 42.92 40.63 2kne s ASP 56 CO 0.75 -1.53 1.98 0.00 -0.17 0.00 0.00 175.17 176.19 2kne h ALA 57 N 8.83 1.46 -0.01 3.66 0.00 -1.85 -2.37 119.26 128.99 2kne h ALA 57 Ca 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2kne h ALA 57 Cb 0.94 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2kne h ALA 57 CO 1.42 0.49 -0.07 -0.40 0.00 0.00 0.00 179.25 180.69 2kne n ASP 58 N -4.42 0.62 -1.73 0.00 5.75 -1.26 -4.92 116.55 110.59 2kne n ASP 58 Ca 0.09 -0.87 -0.20 0.00 -0.01 0.00 0.00 54.79 53.80 2kne n ASP 58 Cb 0.04 -0.03 -0.06 0.00 -1.03 0.00 0.00 41.12 40.04 2kne n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 59 N 1.20 1.26 0.35 6.12 0.00 -0.89 -4.85 105.19 108.38 2kne n GLY 59 Ca 0.17 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.25 2kne n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kne n ASN 60 N -1.37 1.04 0.00 1.61 6.94 -1.26 -4.90 115.26 117.32 2kne n ASN 60 Ca -0.21 -1.55 0.00 0.00 -0.02 0.00 0.00 54.58 52.80 2kne n ASN 60 Cb 0.66 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 38.03 2kne n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kne n GLY 61 N 1.03 0.84 3.34 4.83 0.00 -1.26 -5.00 105.19 108.96 2kne n GLY 61 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 2kne n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kne s THR 62 N -3.29 0.06 -0.18 2.61 -4.23 -1.26 -4.71 115.64 104.63 2kne s THR 62 Ca 0.00 -1.45 -0.04 0.00 -1.18 0.00 0.00 61.69 59.02 2kne s THR 62 Cb 0.00 -1.92 -0.02 0.00 1.34 0.00 0.00 72.50 71.89 2kne s THR 62 CO 0.00 -0.26 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.16 2kne s ILE 63 N -3.99 3.82 0.43 2.99 -1.09 -1.07 -4.81 121.20 117.48 2kne s ILE 63 Ca 0.19 -0.37 0.06 0.00 -2.23 0.00 0.00 60.65 58.30 2kne s ILE 63 Cb 0.03 -2.70 0.06 0.00 -1.58 0.00 0.00 42.46 38.28 2kne s ILE 63 CO 0.02 0.46 0.51 0.47 -1.23 0.00 0.00 174.94 175.17 2kne n ASP 64 N 3.95 1.80 0.30 3.58 8.00 -1.26 -2.36 116.55 130.56 2kne n ASP 64 Ca -0.17 -2.23 -0.17 0.00 0.71 0.00 0.00 54.79 52.92 2kne n ASP 64 Cb 0.52 -0.23 -0.09 0.00 -0.02 0.00 0.00 41.12 41.30 2kne n ASP 64 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2kne h PHE 65 N 0.24 -1.07 -0.52 1.24 3.04 -1.99 -1.62 116.94 116.26 2kne h PHE 65 Ca -0.22 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 61.83 2kne h PHE 65 Cb 0.94 0.40 -0.10 0.00 2.56 0.00 0.00 35.95 39.75 2kne h PHE 65 CO 0.00 -0.58 -0.16 -1.00 -2.02 0.00 0.00 178.31 174.55 2kne h PRO 66 N -0.90 -0.04 0.00 6.41 0.13 -2.01 0.77 132.00 136.37 2kne h PRO 66 Ca -0.06 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2kne h PRO 66 Cb 0.76 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 2kne h PRO 66 CO 0.01 -0.02 -0.00 0.93 -0.23 0.00 0.00 178.00 178.68 2kne h GLU 67 N -0.04 0.00 0.18 0.86 5.08 -1.93 -2.67 114.58 116.07 2kne h GLU 67 Ca 0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 2kne h GLU 67 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2kne h GLU 67 CO -0.55 0.00 -0.09 0.35 -1.00 0.00 0.00 179.01 177.72 2kne h PHE 68 N 0.00 -0.23 -0.38 4.33 3.57 0.15 -3.32 116.94 121.06 2kne h PHE 68 Ca -0.00 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.55 2kne h PHE 68 Cb 0.02 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 2kne h PHE 68 CO 0.00 -0.01 0.09 -0.07 -2.23 0.00 0.00 178.31 176.09 2kne h LEU 69 N -1.03 0.05 -0.83 0.59 3.38 -1.00 -2.06 115.31 114.41 2kne h LEU 69 Ca -0.03 0.06 0.19 0.00 0.09 0.00 0.00 57.88 58.19 2kne h LEU 69 Cb 0.32 0.07 -0.15 0.00 0.09 0.00 0.00 40.66 40.99 2kne h LEU 69 CO 0.04 0.06 -0.06 0.71 0.09 0.00 0.00 178.44 179.28 2kne h THR 70 N 0.23 0.22 -0.29 0.22 1.35 -1.65 0.43 112.91 113.41 2kne h THR 70 Ca 0.18 -0.02 -0.04 0.00 -0.55 0.00 0.00 66.41 65.98 2kne h THR 70 Cb 0.20 0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 66.77 2kne h THR 70 CO -0.22 0.01 0.03 0.24 -0.25 0.00 0.00 175.52 175.33 2kne h MET 71 N 0.05 0.49 -0.93 4.72 2.86 -1.49 -3.02 114.93 117.61 2kne h MET 71 Ca 0.44 -0.14 0.01 0.00 -2.06 0.00 0.00 59.70 57.96 2kne h MET 71 Cb 0.78 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.34 2kne h MET 71 CO -0.78 0.61 0.62 0.52 1.06 0.00 0.00 176.91 178.94 2kne h MET 72 N 0.30 1.22 -0.27 1.72 2.07 -0.48 0.48 114.93 119.98 2kne h MET 72 Ca 0.09 -0.07 -0.07 0.00 -2.07 0.00 0.00 59.70 57.57 2kne h MET 72 Cb 0.37 -0.28 -0.02 0.00 -1.87 0.00 0.00 31.60 29.81 2kne h MET 72 CO 0.01 0.81 -0.14 0.00 1.07 0.00 0.00 176.91 178.66 2kne h ALA 73 N 1.34 1.27 0.00 6.32 0.00 -1.15 -2.84 119.26 124.20 2kne h ALA 73 Ca 0.34 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2kne h ALA 73 Cb -0.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2kne h ALA 73 CO -0.08 0.48 -0.94 0.54 0.00 0.00 0.00 179.25 179.26 2kne n ARG 74 N -4.20 0.15 -1.72 0.00 1.74 -0.97 -4.61 116.66 107.05 2kne n ARG 74 Ca 0.00 -0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 2kne n ARG 74 Cb 0.32 -1.54 -0.00 0.00 -1.02 0.00 0.00 32.46 30.22 2kne n ARG 74 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2kne n LYS 75 N -1.73 3.05 -0.40 5.56 3.00 0.16 -4.47 118.16 123.34 2kne n LYS 75 Ca 0.03 -2.63 0.08 0.00 -0.00 0.00 0.00 58.31 55.79 2kne n LYS 75 Cb 0.39 -3.19 0.24 0.00 0.00 0.00 0.00 35.03 32.47 2kne n LYS 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2kne n MET 76 N 5.54 3.13 -1.64 1.64 2.81 -1.26 -4.95 117.12 122.38 2kne n MET 76 Ca 0.55 -2.58 -0.48 0.00 -1.81 0.00 0.00 57.70 53.37 2kne n MET 76 Cb 0.36 -1.66 -0.05 0.00 -0.71 0.00 0.00 33.22 31.16 2kne n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2kne n LYS 77 N 0.19 1.80 -4.13 0.03 4.81 -1.26 -4.97 118.16 114.61 2kne n LYS 77 Ca 0.19 0.65 -0.32 0.00 -0.87 0.00 0.00 58.31 57.95 2kne n LYS 77 Cb 0.74 -2.37 -0.07 0.00 0.02 0.00 0.00 35.03 33.34 2kne n LYS 77 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2kne s ASP 78 N 0.83 5.49 -0.03 3.14 -1.08 -1.26 -5.12 116.67 118.64 2kne s ASP 78 Ca 0.81 0.07 0.02 0.00 -0.52 0.00 0.00 52.55 52.93 2kne s ASP 78 Cb -0.78 -1.52 0.01 0.00 -1.46 0.00 0.00 42.92 39.17 2kne s ASP 78 CO 0.41 0.25 -0.08 0.42 0.52 0.00 0.00 175.17 176.70 2kne s THR 79 N -1.21 0.72 -0.08 1.71 -4.23 -1.26 -5.10 115.64 106.19 2kne s THR 79 Ca 0.23 -0.29 -0.29 0.00 -1.18 0.00 0.00 61.69 60.16 2kne s THR 79 Cb -0.12 -0.66 -0.07 0.00 1.34 0.00 0.00 72.50 72.99 2kne s THR 79 CO 0.15 0.24 2.03 1.51 -0.54 0.00 0.00 174.62 178.00 2kne s ASP 80 N 0.40 6.08 0.53 3.99 1.47 -1.26 -4.75 116.67 123.13 2kne s ASP 80 Ca -0.06 2.29 0.00 0.00 1.18 0.00 0.00 52.55 55.96 2kne s ASP 80 Cb -0.10 -2.52 0.00 0.00 -0.34 0.00 0.00 42.92 39.95 2kne s ASP 80 CO 0.01 -1.40 0.81 -1.20 0.68 0.00 0.00 175.17 174.06 2kne n SER 81 N 9.14 0.00 0.10 2.11 7.64 -1.26 0.13 113.62 131.48 2kne n SER 81 Ca 0.23 0.40 -0.03 0.00 1.01 0.00 0.00 58.87 60.48 2kne n SER 81 Cb 0.43 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.81 2kne n SER 81 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2kne h GLU 82 N 0.00 0.19 -0.94 1.43 4.57 -2.01 -3.18 114.58 114.63 2kne h GLU 82 Ca 0.00 -0.11 0.18 0.00 -1.18 0.00 0.00 59.36 58.25 2kne h GLU 82 Cb 1.62 0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 30.11 2kne h GLU 82 CO 0.00 0.66 0.53 1.49 -1.18 0.00 0.00 179.01 180.51 2kne h GLU 83 N 0.15 0.66 0.00 1.92 4.81 0.73 0.11 114.58 122.96 2kne h GLU 83 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2kne h GLU 83 Cb 0.96 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.19 2kne h GLU 83 CO 0.08 0.44 -0.35 1.49 -0.73 0.00 0.00 179.01 179.94 2kne h GLU 84 N 0.68 0.00 0.00 1.92 4.57 -1.74 -3.34 114.58 116.67 2kne h GLU 84 Ca 0.54 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.72 2kne h GLU 84 Cb 0.84 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 2kne h GLU 84 CO -0.39 0.00 0.00 -0.89 -1.18 0.00 0.00 179.01 176.55 2kne n ILE 85 N -2.57 0.00 0.28 2.32 2.08 0.02 -1.99 119.36 119.51 2kne n ILE 85 Ca 0.03 1.33 -0.16 0.00 0.56 0.00 0.00 62.75 64.51 2kne n ILE 85 Cb 0.49 -2.31 -0.08 0.00 -0.75 0.00 0.00 39.64 36.99 2kne n ILE 85 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2kne h ARG 86 N 0.00 -0.72 -0.90 0.38 3.08 -1.75 -2.96 114.38 111.51 2kne h ARG 86 Ca 0.00 0.05 0.18 0.00 0.07 0.00 0.00 59.98 60.27 2kne h ARG 86 Cb 0.00 0.16 -0.07 0.00 0.08 0.00 0.00 29.97 30.14 2kne h ARG 86 CO 0.00 -0.48 0.58 1.05 -1.07 0.00 0.00 179.97 180.05 2kne h GLU 87 N -0.75 0.54 0.00 0.04 -0.00 -1.71 0.45 114.58 113.15 2kne h GLU 87 Ca -0.06 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.36 59.27 2kne h GLU 87 Cb 0.61 -0.12 -0.00 0.00 -0.00 0.00 0.00 28.75 29.24 2kne h GLU 87 CO 0.06 0.36 -0.01 0.00 -0.00 0.00 0.00 179.01 179.41 2kne h ALA 88 N 1.61 1.33 -0.03 1.06 0.00 -1.22 -2.25 119.26 119.76 2kne h ALA 88 Ca 0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 2kne h ALA 88 Cb 0.95 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2kne h ALA 88 CO -0.21 0.02 -0.08 0.35 0.00 0.00 0.00 179.25 179.33 2kne h PHE 89 N 0.00 0.13 -0.89 0.00 3.57 -0.10 -3.06 116.94 116.59 2kne h PHE 89 Ca -0.00 -0.05 0.11 0.00 3.53 0.00 0.00 57.97 61.56 2kne h PHE 89 Cb 0.05 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.68 2kne h PHE 89 CO 0.00 0.69 0.53 0.00 -2.23 0.00 0.00 178.31 177.30 2kne h ARG 90 N -0.48 0.83 -0.37 1.11 3.08 -1.37 0.42 114.38 117.61 2kne h ARG 90 Ca -0.00 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2kne h ARG 90 Cb 0.70 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2kne h ARG 90 CO 0.02 0.55 0.10 0.28 -1.07 0.00 0.00 179.97 179.85 2kne h VAL 91 N 0.86 1.22 -0.32 2.04 2.07 -1.59 -3.03 116.25 117.49 2kne h VAL 91 Ca 0.44 -0.72 -0.16 0.00 0.82 0.00 0.00 66.70 67.08 2kne h VAL 91 Cb 0.42 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2kne h VAL 91 CO -0.26 0.25 -0.43 -0.26 0.02 0.00 0.00 177.57 176.89 2kne h PHE 92 N 0.44 0.97 -2.10 1.57 -1.00 -1.24 -3.32 116.94 112.26 2kne h PHE 92 Ca 0.12 -0.30 -0.72 0.00 2.81 0.00 0.00 57.97 59.88 2kne h PHE 92 Cb 0.27 -0.20 -0.17 0.00 3.61 0.00 0.00 35.95 39.47 2kne h PHE 92 CO 0.01 1.09 1.31 0.34 -1.61 0.00 0.00 178.31 179.45 2kne s ASP 93 N -6.87 6.95 0.13 2.17 -1.08 0.14 -4.59 116.67 113.52 2kne s ASP 93 Ca -0.10 -2.72 -0.19 0.00 -0.52 0.00 0.00 52.55 49.02 2kne s ASP 93 Cb 0.11 -2.42 -0.03 0.00 -1.46 0.00 0.00 42.92 39.12 2kne s ASP 93 CO 0.86 -0.86 1.75 0.50 0.52 0.00 0.00 175.17 177.95 2kne h LYS 94 N 7.60 0.19 -0.20 4.34 3.64 -1.67 -2.63 116.57 127.84 2kne h LYS 94 Ca 0.29 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2kne h LYS 94 Cb 0.91 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2kne h LYS 94 CO 1.24 0.13 0.00 -0.40 -2.27 0.00 0.00 179.45 178.14 2kne n ASP 95 N -5.02 1.86 -3.87 4.20 5.75 -1.26 -4.94 116.55 113.27 2kne n ASP 95 Ca -0.02 -1.76 -0.25 0.00 -0.01 0.00 0.00 54.79 52.74 2kne n ASP 95 Cb 0.07 -0.13 0.01 0.00 -1.03 0.00 0.00 41.12 40.04 2kne n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 96 N 1.16 -0.31 0.64 6.12 0.00 -0.99 -4.85 105.19 106.96 2kne n GLY 96 Ca 0.16 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.42 2kne n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kne n ASN 97 N -2.96 1.91 0.00 1.61 2.04 -1.26 -4.89 115.26 111.70 2kne n ASN 97 Ca -0.22 -1.81 0.00 0.00 -0.44 0.00 0.00 54.58 52.11 2kne n ASN 97 Cb 0.64 -0.16 0.00 0.00 -2.53 0.00 0.00 39.78 37.73 2kne n ASN 97 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2kne n GLY 98 N 1.15 0.85 3.02 4.83 0.00 -1.26 -5.02 105.19 108.76 2kne n GLY 98 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 2kne n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kne s TYR 99 N -3.35 0.40 -0.30 1.61 1.51 -1.26 -4.52 117.35 111.44 2kne s TYR 99 Ca 0.00 -0.64 -0.17 0.00 -1.01 0.00 0.00 57.07 55.25 2kne s TYR 99 Cb 0.00 -0.27 -0.02 0.00 -0.11 0.00 0.00 41.96 41.56 2kne s TYR 99 CO 0.00 -0.21 0.45 0.42 -1.11 0.00 0.00 175.55 175.10 2kne s ILE 100 N -2.00 5.10 0.23 2.71 1.01 -0.60 -4.68 121.20 122.97 2kne s ILE 100 Ca -0.10 0.49 -0.09 0.00 0.00 0.00 0.00 60.65 60.95 2kne s ILE 100 Cb -0.06 -3.83 -0.07 0.00 0.01 0.00 0.00 42.46 38.51 2kne s ILE 100 CO -0.03 -0.01 0.54 -0.55 0.00 0.00 0.00 174.94 174.89 2kne s SER 101 N 1.67 6.62 0.19 3.58 0.15 -1.26 -2.52 113.70 122.13 2kne s SER 101 Ca 0.17 0.90 -0.12 0.00 0.70 0.00 0.00 55.95 57.61 2kne s SER 101 Cb -0.16 -2.22 0.20 0.00 -1.71 0.00 0.00 66.02 62.13 2kne s SER 101 CO 0.11 -0.07 1.76 0.00 1.20 0.00 0.00 173.24 176.24 2kne h ALA 102 N 2.53 0.69 -0.98 5.45 0.00 -1.97 -1.18 119.26 123.79 2kne h ALA 102 Ca -0.47 0.06 0.16 0.00 0.00 0.00 0.00 54.91 54.65 2kne h ALA 102 Cb 1.17 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.87 2kne h ALA 102 CO 0.69 -0.16 0.59 0.00 0.00 0.00 0.00 179.25 180.37 2kne h ALA 103 N 1.34 1.55 -0.60 0.00 0.00 -1.99 0.14 119.26 119.69 2kne h ALA 103 Ca 0.26 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 2kne h ALA 103 Cb 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2kne h ALA 103 CO -0.23 0.04 0.04 0.93 0.00 0.00 0.00 179.25 180.03 2kne h GLU 104 N 0.83 1.04 -0.32 0.00 5.08 -1.56 -3.04 114.58 116.60 2kne h GLU 104 Ca 0.53 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 2kne h GLU 104 Cb 0.71 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2kne h GLU 104 CO -0.34 1.00 0.14 1.25 -1.00 0.00 0.00 179.01 180.06 2kne h LEU 105 N 0.94 0.43 -0.95 1.33 5.85 -0.32 -2.93 115.31 119.66 2kne h LEU 105 Ca 0.18 -0.15 0.29 0.00 0.84 0.00 0.00 57.88 59.03 2kne h LEU 105 Cb 0.51 -0.11 -0.16 0.00 0.37 0.00 0.00 40.66 41.27 2kne h LEU 105 CO 0.02 0.46 0.32 -0.09 -0.34 0.00 0.00 178.44 178.82 2kne h ARG 106 N 0.37 0.16 -0.06 1.25 2.43 -1.06 0.96 114.38 118.43 2kne h ARG 106 Ca 0.11 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 2kne h ARG 106 Cb 0.16 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2kne h ARG 106 CO -0.01 0.11 -0.22 1.25 -1.51 0.00 0.00 179.97 179.59 2kne h HIS 107 N 0.17 0.10 -0.85 2.20 2.76 -1.55 -2.87 115.15 115.10 2kne h HIS 107 Ca 0.65 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.87 2kne h HIS 107 Cb 1.44 -0.03 -0.06 0.00 1.55 0.00 0.00 27.41 30.31 2kne h HIS 107 CO -0.21 0.31 0.53 0.28 -1.30 0.00 0.00 177.93 177.54 2kne h VAL 108 N 0.09 1.03 -0.77 5.26 2.07 0.94 -2.25 116.25 122.62 2kne h VAL 108 Ca 0.01 -0.33 0.15 0.00 0.82 0.00 0.00 66.70 67.36 2kne h VAL 108 Cb 0.44 -0.01 -0.10 0.00 -1.52 0.00 0.00 31.29 30.10 2kne h VAL 108 CO 0.03 0.17 0.29 0.24 0.02 0.00 0.00 177.57 178.32 2kne h MET 109 N 0.95 0.39 -0.90 1.57 2.07 -1.48 -0.84 114.93 116.70 2kne h MET 109 Ca 0.38 -0.02 0.06 0.00 -2.07 0.00 0.00 59.70 58.04 2kne h MET 109 Cb 0.19 -0.09 -0.06 0.00 -1.87 0.00 0.00 31.60 29.76 2kne h MET 109 CO -0.18 0.26 0.56 1.15 1.07 0.00 0.00 176.91 179.77 2kne h THR 110 N 0.40 1.05 -0.55 2.22 2.02 -1.54 0.44 112.91 116.96 2kne h THR 110 Ca 0.43 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 67.18 2kne h THR 110 Cb 0.69 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 2kne h THR 110 CO -0.44 0.19 0.02 0.78 0.37 0.00 0.00 175.52 176.44 2kne h ASN 111 N 1.03 0.93 1.28 4.18 2.35 -1.15 -2.85 115.58 121.34 2kne h ASN 111 Ca 0.39 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2kne h ASN 111 Cb 0.17 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.29 2kne h ASN 111 CO -0.17 1.00 -0.10 0.18 -1.65 0.00 0.00 177.43 176.68 2kne n LEU 112 N -4.28 0.65 -0.76 1.61 4.77 -0.72 -4.94 117.00 113.33 2kne n LEU 112 Ca 0.02 0.49 -0.06 0.00 -0.03 0.00 0.00 56.01 56.44 2kne n LEU 112 Cb 0.32 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2kne n LEU 112 CO 0.43 -0.12 -0.04 0.61 -1.33 0.00 0.00 177.39 176.93 2kne n GLY 113 N 1.35 0.23 0.15 -0.72 0.00 0.15 -4.95 105.19 101.40 2kne n GLY 113 Ca 0.05 -0.61 0.09 0.00 0.00 0.00 0.00 46.02 45.55 2kne n GLY 113 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kne h GLU 114 N -0.14 0.00 -6.71 1.61 4.39 -1.61 -3.48 114.58 108.64 2kne h GLU 114 Ca -0.13 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.03 2kne h GLU 114 Cb 1.10 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.76 2kne h GLU 114 CO 0.15 0.11 -0.99 1.63 -1.16 0.00 0.00 179.01 178.75 2kne n LYS 115 N -2.92 -0.62 -2.89 2.33 5.02 -1.26 -4.90 118.16 112.92 2kne n LYS 115 Ca 0.00 0.26 -0.34 0.00 -2.02 0.00 0.00 58.31 56.20 2kne n LYS 115 Cb 0.61 -2.97 -0.07 0.00 -0.02 0.00 0.00 35.03 32.59 2kne n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kne s LEU 116 N -6.93 4.12 0.87 -0.35 1.43 -1.26 -5.08 118.68 111.48 2kne s LEU 116 Ca 0.44 1.64 -0.12 0.00 -1.03 0.00 0.00 54.13 55.06 2kne s LEU 116 Cb -0.22 -4.21 0.15 0.00 0.03 0.00 0.00 46.19 41.95 2kne s LEU 116 CO 0.93 -0.21 1.21 0.42 0.23 0.00 0.00 176.35 178.94 2kne s THR 117 N -1.91 2.05 0.17 5.49 -4.23 -1.26 -4.82 115.64 111.12 2kne s THR 117 Ca 0.55 -0.12 -0.15 0.00 -1.18 0.00 0.00 61.69 60.79 2kne s THR 117 Cb -0.13 -2.93 0.04 0.00 1.34 0.00 0.00 72.50 70.83 2kne s THR 117 CO 0.18 0.00 1.78 -0.78 -0.54 0.00 0.00 174.62 175.26 2kne h ASP 118 N -1.25 0.31 -0.32 3.99 1.82 -1.99 0.00 116.42 118.99 2kne h ASP 118 Ca -0.43 0.02 0.05 0.00 -0.39 0.00 0.00 57.03 56.28 2kne h ASP 118 Cb 1.26 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 41.19 2kne h ASP 118 CO 0.45 0.22 0.05 -0.08 -1.61 0.00 0.00 179.24 178.28 2kne h GLU 119 N 0.43 0.15 -0.02 0.28 4.57 -1.99 -1.57 114.58 116.43 2kne h GLU 119 Ca 0.19 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.23 2kne h GLU 119 Cb 0.09 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 2kne h GLU 119 CO -0.13 0.10 -0.58 0.93 -1.18 0.00 0.00 179.01 178.15 2kne h GLU 120 N 0.16 0.07 -0.68 1.92 5.08 -1.85 -1.17 114.58 118.12 2kne h GLU 120 Ca 0.15 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2kne h GLU 120 Cb 0.17 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2kne h GLU 120 CO -0.21 0.64 0.25 0.28 -1.00 0.00 0.00 179.01 178.97 2kne h VAL 121 N 0.06 1.25 -0.07 3.13 2.07 -0.49 -2.05 116.25 120.14 2kne h VAL 121 Ca -0.01 -0.80 -0.16 0.00 0.82 0.00 0.00 66.70 66.56 2kne h VAL 121 Cb 1.05 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2kne h VAL 121 CO 0.08 0.31 -0.65 0.44 0.02 0.00 0.00 177.57 177.77 2kne h ASP 122 N 0.97 0.32 0.10 0.57 3.32 -1.19 -3.26 116.42 117.24 2kne h ASP 122 Ca 0.22 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 2kne h ASP 122 Cb 0.24 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2kne h ASP 122 CO -0.01 0.88 -0.05 -0.08 -1.72 0.00 0.00 179.24 178.26 2kne h GLU 123 N 0.20 -0.13 -0.48 3.56 4.81 -0.58 -2.54 114.58 119.42 2kne h GLU 123 Ca -0.01 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.31 2kne h GLU 123 Cb 1.18 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.52 2kne h GLU 123 CO 0.10 -0.07 0.05 0.52 -0.73 0.00 0.00 179.01 178.89 2kne h MET 124 N -0.15 0.16 -0.70 1.92 2.86 -1.46 -1.72 114.93 115.85 2kne h MET 124 Ca -0.01 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.66 2kne h MET 124 Cb 0.12 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.69 2kne h MET 124 CO 0.02 0.11 0.42 0.82 1.06 0.00 0.00 176.91 179.34 2kne h ILE 125 N 0.17 1.04 -0.46 -1.22 1.08 -1.56 -2.02 117.51 114.53 2kne h ILE 125 Ca 0.24 -0.27 -0.03 0.00 -0.39 0.00 0.00 64.86 64.42 2kne h ILE 125 Cb 0.35 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.25 2kne h ILE 125 CO -0.36 0.14 0.18 0.03 -0.69 0.00 0.00 178.15 177.45 2kne h ARG 126 N 0.79 0.66 -0.92 2.37 3.08 -0.90 -1.11 114.38 118.35 2kne h ARG 126 Ca 0.30 -0.09 0.07 0.00 0.07 0.00 0.00 59.98 60.32 2kne h ARG 126 Cb 0.10 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 29.96 2kne h ARG 126 CO -0.14 0.55 0.58 0.93 -1.07 0.00 0.00 179.97 180.82 2kne h GLU 127 N 0.66 1.02 0.00 0.04 4.39 -0.79 -2.31 114.58 117.58 2kne h GLU 127 Ca 0.16 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2kne h GLU 127 Cb 0.14 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2kne h GLU 127 CO -0.02 0.67 -0.84 0.00 -1.16 0.00 0.00 179.01 177.67 2kne n ALA 128 N -2.36 3.85 -2.32 3.43 0.00 -1.08 -4.79 120.51 117.25 2kne n ALA 128 Ca 0.14 -0.44 -0.34 0.00 0.00 0.00 0.00 53.44 52.79 2kne n ALA 128 Cb 0.19 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 2kne n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kne s ASP 129 N -3.33 5.86 0.46 0.00 2.15 -0.44 -4.76 116.67 116.61 2kne s ASP 129 Ca 0.07 -1.17 0.30 0.00 0.43 0.00 0.00 52.55 52.18 2kne s ASP 129 Cb 0.16 -2.57 1.21 0.00 -0.30 0.00 0.00 42.92 41.42 2kne s ASP 129 CO 0.79 -2.10 1.89 0.40 -0.17 0.00 0.00 175.17 175.98 2kne h ILE 130 N 6.91 0.00 -3.84 4.11 2.04 -1.86 -3.43 117.51 121.43 2kne h ILE 130 Ca 0.17 -0.45 -0.19 0.00 1.00 0.00 0.00 64.86 65.39 2kne h ILE 130 Cb 1.00 1.37 -0.24 0.00 -0.74 0.00 0.00 36.82 38.21 2kne h ILE 130 CO 1.33 0.00 -0.69 1.51 0.00 0.00 0.00 178.15 180.29 2kne s ASP 131 N -5.27 0.12 -0.23 1.72 -4.77 -1.26 -5.05 116.67 101.92 2kne s ASP 131 Ca 0.02 -0.27 -0.04 0.00 -3.30 0.00 0.00 52.55 48.96 2kne s ASP 131 Cb 0.09 0.07 -0.15 0.00 -1.09 0.00 0.00 42.92 41.84 2kne s ASP 131 CO 0.51 -0.18 2.47 0.61 0.70 0.00 0.00 175.17 179.28 2kne n GLY 132 N 2.22 2.53 0.03 2.12 0.00 -1.26 -4.20 105.19 106.63 2kne n GLY 132 Ca -0.19 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.13 2kne n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kne n ASP 133 N 2.98 0.59 0.00 1.61 5.75 -1.26 -4.95 116.55 121.28 2kne n ASP 133 Ca 0.33 -0.37 0.00 0.00 -0.01 0.00 0.00 54.79 54.74 2kne n ASP 133 Cb 0.50 0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.88 2kne n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 134 N 1.48 0.77 3.12 6.12 0.00 -1.26 -4.99 105.19 110.43 2kne n GLY 134 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 2kne n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kne s GLN 135 N -0.19 0.68 -0.30 1.61 -0.21 -1.26 -4.75 119.66 115.24 2kne s GLN 135 Ca 0.00 -1.01 -0.11 0.00 0.02 0.00 0.00 55.36 54.25 2kne s GLN 135 Cb 0.00 -0.30 -0.04 0.00 1.00 0.00 0.00 33.01 33.67 2kne s GLN 135 CO 0.00 0.03 0.20 0.08 -2.12 0.00 0.00 175.29 173.48 2kne s VAL 136 N -2.30 5.23 0.80 1.09 1.01 -1.05 -4.92 120.40 120.26 2kne s VAL 136 Ca -0.00 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 2kne s VAL 136 Cb -0.04 -3.56 0.11 0.00 0.00 0.00 0.00 36.38 32.90 2kne s VAL 136 CO -0.01 0.17 1.13 0.21 0.00 0.00 0.00 175.10 176.59 2kne s ASN 137 N 1.74 4.23 0.22 3.32 2.47 -1.26 -1.56 114.94 124.10 2kne s ASN 137 Ca 0.07 0.35 -0.08 0.00 0.42 0.00 0.00 52.86 53.61 2kne s ASN 137 Cb -0.16 -0.77 0.19 0.00 -1.45 0.00 0.00 41.25 39.06 2kne s ASN 137 CO 0.10 -2.00 1.85 0.22 -3.72 0.00 0.00 177.10 173.55 2kne h TYR 138 N -0.96 1.15 -0.50 0.43 3.20 -1.99 -1.41 116.97 116.89 2kne h TYR 138 Ca -0.44 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.40 2kne h TYR 138 Cb 1.29 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 39.17 2kne h TYR 138 CO -0.15 0.79 0.27 1.49 -1.64 0.00 0.00 178.16 178.91 2kne h GLU 139 N 1.17 0.71 -0.68 1.82 4.81 -1.97 -1.24 114.58 119.20 2kne h GLU 139 Ca 0.30 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 2kne h GLU 139 Cb 0.00 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 2kne h GLU 139 CO -0.05 0.56 0.14 0.93 -0.73 0.00 0.00 179.01 179.86 2kne h GLU 140 N 0.67 1.11 -0.33 1.92 5.08 -1.80 -1.57 114.58 119.65 2kne h GLU 140 Ca 0.18 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2kne h GLU 140 Cb 0.06 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2kne h GLU 140 CO -0.03 0.99 0.19 0.35 -1.00 0.00 0.00 179.01 179.52 2kne h PHE 141 N 1.05 0.45 -0.24 4.33 3.57 -0.92 -2.90 116.94 122.28 2kne h PHE 141 Ca 0.21 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 2kne h PHE 141 Cb 0.40 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2kne h PHE 141 CO 0.03 0.34 0.06 0.28 -2.23 0.00 0.00 178.31 176.80 2kne h VAL 142 N 0.42 1.21 -0.64 1.41 2.07 -1.09 -2.54 116.25 117.08 2kne h VAL 142 Ca 0.12 -0.67 0.13 0.00 0.82 0.00 0.00 66.70 67.10 2kne h VAL 142 Cb 0.04 1.19 -0.10 0.00 -1.52 0.00 0.00 31.29 30.90 2kne h VAL 142 CO -0.02 0.22 0.04 -0.61 0.02 0.00 0.00 177.57 177.22 2kne h GLN 143 N 0.22 0.15 -0.15 1.57 4.15 -1.18 0.41 115.11 120.28 2kne h GLN 143 Ca 0.08 -0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.33 2kne h GLN 143 Cb 0.27 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 2kne h GLN 143 CO 0.00 0.10 -0.55 0.52 -1.93 0.00 0.00 178.83 176.97 2kne h MET 144 N 0.16 0.46 0.07 1.69 2.86 -1.43 0.25 114.93 119.00 2kne h MET 144 Ca 0.34 -0.29 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 2kne h MET 144 Cb 0.55 0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.26 2kne h MET 144 CO -0.52 0.89 -0.44 0.52 1.06 0.00 0.00 176.91 178.43 2kne h MET 145 N 0.36 0.17 0.14 1.72 2.86 -0.92 -3.38 114.93 115.88 2kne h MET 145 Ca 0.01 -0.28 -0.36 0.00 -2.06 0.00 0.00 59.70 57.01 2kne h MET 145 Cb 1.08 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 2kne h MET 145 CO 0.10 1.12 -1.93 1.79 1.06 0.00 0.00 176.91 179.04 2kne h THR 146 N -0.63 0.69 0.00 2.22 1.35 -0.30 -3.36 112.91 112.88 2kne h THR 146 Ca -0.07 -2.37 -0.02 0.00 -0.55 0.00 0.00 66.41 63.39 2kne h THR 146 Cb 1.33 2.56 -0.01 0.00 -1.73 0.00 0.00 68.15 70.29 2kne h THR 146 CO 0.08 0.88 -0.04 0.00 -0.25 0.00 0.00 175.52 176.20 2kne n ALA 147 N -2.98 4.03 1.69 6.62 0.00 0.88 -5.05 120.51 125.71 2kne n ALA 147 Ca -0.30 -0.20 0.14 0.00 0.00 0.00 0.00 53.44 53.07 2kne n ALA 147 Cb 1.05 -1.24 0.80 0.00 0.00 0.00 0.00 19.45 20.06 2kne n ALA 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86