#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kne n ASP 2 N 0.00 2.20 0.00 0.00 8.00 -1.26 -4.86 116.55 120.64 2kne n ASP 2 Ca 0.00 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.65 2kne n ASP 2 Cb 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 2kne n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kne n GLN 3 N 0.68 0.00 -0.06 -1.24 6.02 -1.26 -4.99 117.38 116.53 2kne n GLN 3 Ca 0.16 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.10 2kne n GLN 3 Cb 0.39 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.55 2kne n GLN 3 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2kne n LEU 4 N 0.00 0.00 -4.75 1.08 7.94 -1.26 -4.90 117.00 115.11 2kne n LEU 4 Ca 0.00 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.50 2kne n LEU 4 Cb 0.00 0.29 -0.05 0.00 0.53 0.00 0.00 43.42 44.19 2kne n LEU 4 CO 0.00 0.29 0.72 0.42 -1.11 0.00 0.00 177.39 177.71 2kne s THR 5 N -2.36 3.77 0.08 1.96 -4.23 -1.26 -4.95 115.64 108.64 2kne s THR 5 Ca -0.06 1.78 -0.22 0.00 -1.18 0.00 0.00 61.69 62.01 2kne s THR 5 Cb 0.04 -4.13 -0.08 0.00 1.34 0.00 0.00 72.50 69.67 2kne s THR 5 CO 0.53 0.43 1.36 -0.08 -0.54 0.00 0.00 174.62 176.31 2kne h GLU 6 N 3.97 -0.31 -0.89 3.99 4.57 -2.01 -0.76 114.58 123.13 2kne h GLU 6 Ca -0.46 0.02 0.33 0.00 -1.18 0.00 0.00 59.36 58.07 2kne h GLU 6 Cb 1.21 0.07 -0.11 0.00 -0.16 0.00 0.00 28.75 29.76 2kne h GLU 6 CO 0.67 -0.21 0.55 -1.91 -1.18 0.00 0.00 179.01 176.93 2kne n GLU 7 N -4.44 -0.03 -0.01 1.92 2.13 -1.26 0.27 120.64 119.22 2kne n GLU 7 Ca -0.03 0.92 -0.08 0.00 0.66 0.00 0.00 57.16 58.63 2kne n GLU 7 Cb 0.24 -1.76 0.08 0.00 0.27 0.00 0.00 31.44 30.26 2kne n GLU 7 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2kne h GLN 8 N 0.00 0.57 -0.59 5.31 4.15 -1.52 -1.86 115.11 121.17 2kne h GLN 8 Ca 0.62 -0.32 0.01 0.00 0.77 0.00 0.00 58.65 59.73 2kne h GLN 8 Cb 1.88 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 29.56 2kne h GLN 8 CO -0.41 0.91 0.38 0.82 -1.93 0.00 0.00 178.83 178.61 2kne h ILE 9 N 0.46 1.12 -0.42 2.39 2.04 0.37 -1.12 117.51 122.36 2kne h ILE 9 Ca 0.03 -0.26 0.08 0.00 1.00 0.00 0.00 64.86 65.71 2kne h ILE 9 Cb 0.98 0.29 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 2kne h ILE 9 CO 0.09 0.14 -0.05 0.00 0.00 0.00 0.00 178.15 178.32 2kne h ALA 10 N 1.23 0.33 -0.38 1.87 0.00 -1.03 0.90 119.26 122.18 2kne h ALA 10 Ca 0.22 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2kne h ALA 10 Cb -0.06 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2kne h ALA 10 CO -0.06 -0.43 0.14 1.49 0.00 0.00 0.00 179.25 180.39 2kne h GLU 11 N 0.05 0.58 -0.71 0.00 4.81 -0.82 -3.06 114.58 115.43 2kne h GLU 11 Ca 0.20 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2kne h GLU 11 Cb 0.31 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 2kne h GLU 11 CO -0.39 0.57 0.29 0.74 -0.73 0.00 0.00 179.01 179.48 2kne h PHE 12 N 0.47 1.07 0.08 0.92 -1.00 -0.76 -3.12 116.94 114.61 2kne h PHE 12 Ca 0.13 -0.08 0.02 0.00 2.81 0.00 0.00 57.97 60.85 2kne h PHE 12 Cb 0.21 -0.32 -0.05 0.00 3.61 0.00 0.00 35.95 39.40 2kne h PHE 12 CO 0.00 0.82 -0.40 -0.22 -1.61 0.00 0.00 178.31 176.91 2kne h LYS 13 N 1.01 -0.59 -0.94 1.51 3.64 -0.73 -1.00 116.57 119.46 2kne h LYS 13 Ca 0.24 0.04 0.25 0.00 -1.27 0.00 0.00 60.65 59.91 2kne h LYS 13 Cb 0.20 0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 32.02 2kne h LYS 13 CO -0.02 -0.39 0.45 0.93 -2.27 0.00 0.00 179.45 178.15 2kne h GLU 14 N -0.61 0.37 -0.78 1.90 5.08 -1.50 0.30 114.58 119.34 2kne h GLU 14 Ca 0.03 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.49 2kne h GLU 14 Cb 0.65 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 2kne h GLU 14 CO -0.25 0.25 0.51 0.00 -1.00 0.00 0.00 179.01 178.51 2kne h ALA 15 N 1.76 1.88 -0.98 3.43 0.00 -1.16 -2.32 119.26 121.87 2kne h ALA 15 Ca 0.62 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.56 2kne h ALA 15 Cb 1.26 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 2kne h ALA 15 CO -0.56 -0.06 0.65 0.74 0.00 0.00 0.00 179.25 180.01 2kne h PHE 16 N 0.62 1.21 0.00 0.00 -1.00 -0.16 -1.44 116.94 116.18 2kne h PHE 16 Ca 0.37 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.18 2kne h PHE 16 Cb 0.60 -0.40 0.00 0.00 3.61 0.00 0.00 35.95 39.75 2kne h PHE 16 CO -0.00 0.70 0.00 0.77 -1.61 0.00 0.00 178.31 178.17 2kne h SER 17 N 1.25 0.00 -0.64 2.17 0.02 -1.48 -2.37 113.55 112.50 2kne h SER 17 Ca 0.39 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.27 2kne h SER 17 Cb -0.01 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2kne h SER 17 CO -0.12 0.00 0.12 -0.07 -1.14 0.00 0.00 176.83 175.62 2kne h LEU 18 N 0.00 1.00 0.00 5.07 4.07 -1.34 -3.29 115.31 120.82 2kne h LEU 18 Ca 0.00 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.71 2kne h LEU 18 Cb 0.19 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.67 2kne h LEU 18 CO 0.00 0.99 -1.13 2.22 -1.08 0.00 0.00 178.44 179.44 2kne n PHE 19 N -4.28 0.00 -2.19 1.13 1.16 -1.12 -4.86 117.46 107.31 2kne n PHE 19 Ca 0.04 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.29 2kne n PHE 19 Cb 0.27 -0.15 -0.04 0.00 -1.61 0.00 0.00 39.48 37.95 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 -2.98 5.51 0.00 5.98 1.01 -0.91 -4.82 116.67 120.47 2kne s ASP 20 Ca 0.01 -0.61 -0.25 0.00 0.71 0.00 0.00 52.55 52.41 2kne s ASP 20 Cb 0.10 -2.56 -0.19 0.00 1.01 0.00 0.00 42.92 41.29 2kne s ASP 20 CO 0.62 -2.36 1.37 0.50 0.21 0.00 0.00 175.17 175.51 2kne h LYS 21 N 11.65 0.02 -0.58 8.23 3.64 -1.89 -3.27 116.57 134.36 2kne h LYS 21 Ca 0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2kne h LYS 21 Cb 1.04 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2kne h LYS 21 CO 1.26 0.39 0.00 -0.40 -2.27 0.00 0.00 179.45 178.43 2kne n ASP 22 N -4.89 4.63 -3.85 4.20 5.75 -1.26 -4.96 116.55 116.17 2kne n ASP 22 Ca -0.08 -2.52 -0.29 0.00 -0.01 0.00 0.00 54.79 51.89 2kne n ASP 22 Cb 0.21 -0.56 -0.07 0.00 -1.03 0.00 0.00 41.12 39.67 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 0.86 -0.21 0.15 6.12 0.00 -1.24 -4.74 105.19 106.12 2kne n GLY 23 Ca 0.24 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.88 0.57 0.00 1.61 5.68 -1.26 -4.90 116.55 116.37 2kne n ASP 24 Ca -0.05 -0.69 0.00 0.00 -0.50 0.00 0.00 54.79 53.55 2kne n ASP 24 Cb 0.42 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 2kne n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kne n GLY 25 N 1.27 0.92 3.06 6.12 0.00 -1.26 -5.03 105.19 110.26 2kne n GLY 25 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.89 0.42 -0.20 2.61 -4.23 -1.26 -4.79 115.64 105.29 2kne s THR 26 Ca 0.00 -1.21 -0.18 0.00 -1.18 0.00 0.00 61.69 59.12 2kne s THR 26 Cb 0.00 -0.73 -0.03 0.00 1.34 0.00 0.00 72.50 73.08 2kne s THR 26 CO 0.00 -0.53 0.52 -0.63 -0.54 0.00 0.00 174.62 173.45 2kne s ILE 27 N -1.90 5.10 0.32 2.99 1.09 -0.94 -4.93 121.20 122.94 2kne s ILE 27 Ca -0.07 0.96 0.09 0.00 -1.10 0.00 0.00 60.65 60.52 2kne s ILE 27 Cb -0.07 -3.84 -0.05 0.00 -1.06 0.00 0.00 42.46 37.44 2kne s ILE 27 CO -0.01 0.17 0.08 0.42 -0.10 0.00 0.00 174.94 175.49 2kne s THR 28 N 1.68 3.02 0.36 2.92 -4.23 -1.26 -2.61 115.64 115.51 2kne s THR 28 Ca 0.24 -1.82 0.04 0.00 -1.18 0.00 0.00 61.69 58.98 2kne s THR 28 Cb -0.15 -2.90 0.28 0.00 1.34 0.00 0.00 72.50 71.06 2kne s THR 28 CO 0.10 -0.23 1.98 0.71 -0.54 0.00 0.00 174.62 176.64 2kne h THR 29 N 1.69 1.08 0.78 3.99 1.35 -1.92 -1.64 112.91 118.24 2kne h THR 29 Ca -0.44 -0.28 -0.04 0.00 -0.55 0.00 0.00 66.41 65.11 2kne h THR 29 Cb 1.25 0.21 0.01 0.00 -1.73 0.00 0.00 68.15 67.89 2kne h THR 29 CO 0.64 0.15 -0.37 0.11 -0.25 0.00 0.00 175.52 175.79 2kne h LYS 30 N 0.80 -1.01 -0.06 4.72 1.57 -1.98 -2.39 116.57 118.23 2kne h LYS 30 Ca 0.28 0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.12 2kne h LYS 30 Cb 0.11 0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 2kne h LYS 30 CO -0.08 -0.67 -0.01 1.05 -0.57 0.00 0.00 179.45 179.17 2kne h GLU 31 N -1.13 0.09 0.44 3.15 4.11 -1.90 -2.07 114.58 117.27 2kne h GLU 31 Ca -0.11 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.29 2kne h GLU 31 Cb 0.80 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2kne h GLU 31 CO 0.18 0.11 -0.21 1.25 0.07 0.00 0.00 179.01 180.40 2kne h LEU 32 N 0.09 -0.51 -1.09 3.06 5.85 -1.21 -2.91 115.31 118.60 2kne h LEU 32 Ca 0.02 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.75 2kne h LEU 32 Cb 0.08 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 2kne h LEU 32 CO 0.00 -0.34 0.61 1.23 -0.34 0.00 0.00 178.44 179.60 2kne h GLY 33 N -0.63 1.30 0.83 3.75 0.00 -1.05 -2.67 103.07 104.60 2kne h GLY 33 Ca -0.06 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 2kne h GLY 33 CO 0.10 0.48 -0.19 -0.84 0.00 0.00 0.00 176.54 176.08 2kne h THR 34 N 1.25 0.58 -0.44 4.70 2.02 -1.29 -1.05 112.91 118.68 2kne h THR 34 Ca 0.34 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.56 2kne h THR 34 Cb -0.14 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 66.81 2kne h THR 34 CO -0.07 0.00 0.21 0.58 0.37 0.00 0.00 175.52 176.61 2kne h VAL 35 N -0.45 0.95 -0.99 3.16 2.07 -1.31 -1.83 116.25 117.85 2kne h VAL 35 Ca -0.01 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.39 2kne h VAL 35 Cb 0.40 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2kne h VAL 35 CO -0.01 0.08 0.66 -0.03 0.02 0.00 0.00 177.57 178.28 2kne h MET 36 N 0.42 1.27 -0.88 1.57 -1.53 -1.31 -1.56 114.93 112.90 2kne h MET 36 Ca 0.19 -0.08 0.13 0.00 -3.44 0.00 0.00 59.70 56.50 2kne h MET 36 Cb 0.12 -0.29 -0.09 0.00 -0.55 0.00 0.00 31.60 30.80 2kne h MET 36 CO -0.15 0.84 0.50 -0.09 0.14 0.00 0.00 176.91 178.16 2kne h ARG 37 N 1.31 0.75 0.00 0.39 2.43 -0.38 0.60 114.38 119.48 2kne h ARG 37 Ca 0.38 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.50 2kne h ARG 37 Cb -0.08 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.30 2kne h ARG 37 CO -0.10 0.50 -0.03 0.66 -1.51 0.00 0.00 179.97 179.49 2kne h SER 38 N 0.77 0.00 0.19 -3.80 4.64 -0.74 0.48 113.55 115.09 2kne h SER 38 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 2kne h SER 38 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2kne h SER 38 CO -0.30 0.03 0.00 -0.11 -0.87 0.00 0.00 176.83 175.58 2kne n LEU 39 N -3.28 0.00 0.00 5.97 7.94 0.21 -4.84 117.00 123.00 2kne n LEU 39 Ca -0.02 0.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 2kne n LEU 39 Cb 0.16 -0.14 0.00 0.00 0.53 0.00 0.00 43.42 43.98 2kne n LEU 39 CO 0.25 -0.04 0.00 0.61 -1.11 0.00 0.00 177.39 177.09 2kne n GLY 40 N 0.44 0.70 3.74 -3.96 0.00 0.16 -5.07 105.19 101.20 2kne n GLY 40 Ca 0.13 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 2kne n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kne s GLN 41 N -0.76 2.69 -0.72 1.61 -1.52 -1.23 -5.06 119.66 114.68 2kne s GLN 41 Ca 0.00 -0.99 0.03 0.00 -1.95 0.00 0.00 55.36 52.46 2kne s GLN 41 Cb 0.00 -2.52 0.31 0.00 -0.22 0.00 0.00 33.01 30.58 2kne s GLN 41 CO 0.00 0.46 1.08 0.27 -0.25 0.00 0.00 175.29 176.85 2kne n ASN 42 N -0.33 4.92 -4.76 5.90 0.23 -1.26 -4.30 115.26 115.67 2kne n ASN 42 Ca -0.09 -3.59 -0.39 0.00 -0.53 0.00 0.00 54.58 49.98 2kne n ASN 42 Cb 0.55 -0.76 0.02 0.00 -2.08 0.00 0.00 39.78 37.51 2kne n ASN 42 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2kne s PRO 43 N -3.25 3.60 0.76 -0.53 0.04 -1.26 -5.01 135.00 129.34 2kne s PRO 43 Ca 0.43 2.23 -0.11 0.00 0.04 0.00 0.00 61.00 63.59 2kne s PRO 43 Cb 0.20 -2.53 0.05 0.00 0.04 0.00 0.00 34.50 32.26 2kne s PRO 43 CO -0.08 -0.82 1.14 -0.08 0.04 0.00 0.00 177.00 177.20 2kne s THR 44 N -1.28 2.64 0.18 1.26 -1.32 -1.26 -4.95 115.64 110.91 2kne s THR 44 Ca 0.63 0.18 -0.13 0.00 -1.21 0.00 0.00 61.69 61.17 2kne s THR 44 Cb -0.40 -3.20 0.08 0.00 -1.51 0.00 0.00 72.50 67.48 2kne s THR 44 CO 0.50 -0.26 1.82 1.05 -2.21 0.00 0.00 174.62 175.52 2kne h GLU 45 N -0.86 0.66 -0.14 7.08 4.11 -2.03 -1.60 114.58 121.80 2kne h GLU 45 Ca -0.45 -0.04 0.04 0.00 0.07 0.00 0.00 59.36 58.98 2kne h GLU 45 Cb 1.30 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2kne h GLU 45 CO 0.65 0.44 0.23 0.00 0.07 0.00 0.00 179.01 180.39 2kne h ALA 46 N 1.24 1.61 -0.60 1.06 0.00 -2.01 -0.31 119.26 120.24 2kne h ALA 46 Ca 0.22 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 2kne h ALA 46 Cb 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2kne h ALA 46 CO -0.09 -0.30 0.02 1.49 0.00 0.00 0.00 179.25 180.37 2kne h GLU 47 N 0.00 1.04 -0.89 0.00 4.57 -1.65 -1.67 114.58 115.97 2kne h GLU 47 Ca 0.07 -0.31 0.07 0.00 -1.18 0.00 0.00 59.36 58.01 2kne h GLU 47 Cb 0.52 -0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 28.94 2kne h GLU 47 CO -0.00 1.00 0.55 -0.07 -1.18 0.00 0.00 179.01 179.31 2kne h LEU 48 N 0.96 0.85 0.35 1.64 4.07 -1.13 -1.88 115.31 120.16 2kne h LEU 48 Ca 0.18 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.14 2kne h LEU 48 Cb 0.52 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.11 2kne h LEU 48 CO 0.03 0.52 -0.17 -0.61 -1.08 0.00 0.00 178.44 177.13 2kne h GLN 49 N 0.97 -0.45 -0.41 1.13 4.15 -1.51 -2.53 115.11 116.47 2kne h GLN 49 Ca 0.40 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.92 2kne h GLN 49 Cb 0.24 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.97 2kne h GLN 49 CO -0.20 -0.15 0.01 0.22 -1.93 0.00 0.00 178.83 176.79 2kne h ASP 50 N -0.99 -0.14 0.01 -0.69 3.58 -1.24 -1.00 116.42 115.95 2kne h ASP 50 Ca -0.05 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 2kne h ASP 50 Cb 0.51 0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.71 2kne h ASP 50 CO 0.08 -0.03 -0.01 0.24 -2.88 0.00 0.00 179.24 176.64 2kne h MET 51 N 0.12 -0.02 -0.22 0.28 2.86 -1.46 -2.87 114.93 113.63 2kne h MET 51 Ca 0.20 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.86 2kne h MET 51 Cb 0.28 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 2kne h MET 51 CO -0.32 0.32 0.10 0.82 1.06 0.00 0.00 176.91 178.89 2kne h ILE 52 N -0.35 0.98 -0.67 -1.22 1.08 -1.34 -2.47 117.51 113.51 2kne h ILE 52 Ca -0.00 -0.07 0.09 0.00 -0.39 0.00 0.00 64.86 64.49 2kne h ILE 52 Cb 0.34 0.74 -0.04 0.00 -3.07 0.00 0.00 36.82 34.79 2kne h ILE 52 CO 0.00 0.04 0.44 0.78 -0.69 0.00 0.00 178.15 178.72 2kne h ASN 53 N 0.21 0.49 -0.59 1.72 2.35 -1.22 0.22 115.58 118.77 2kne h ASN 53 Ca 0.09 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.76 2kne h ASN 53 Cb 0.04 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 2kne h ASN 53 CO -0.08 0.30 0.00 -0.33 -1.65 0.00 0.00 177.43 175.68 2kne h GLU 54 N 0.55 1.06 0.00 0.81 4.39 -1.20 -3.06 114.58 117.13 2kne h GLU 54 Ca 0.30 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2kne h GLU 54 Cb 0.47 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2kne h GLU 54 CO -0.10 1.03 -0.64 0.28 -1.16 0.00 0.00 179.01 178.42 2kne h VAL 55 N 0.97 0.06 -0.96 3.13 2.07 -1.28 -3.43 116.25 116.80 2kne h VAL 55 Ca 0.17 -1.09 -0.61 0.00 0.82 0.00 0.00 66.70 65.99 2kne h VAL 55 Cb 0.55 1.74 -0.09 0.00 -1.52 0.00 0.00 31.29 31.97 2kne h VAL 55 CO 0.03 0.03 1.76 -0.62 0.02 0.00 0.00 177.57 178.79 2kne s ASP 56 N -5.73 6.54 0.30 0.57 2.15 0.01 -4.83 116.67 115.67 2kne s ASP 56 Ca 0.02 -1.86 -0.01 0.00 0.43 0.00 0.00 52.55 51.13 2kne s ASP 56 Cb 0.08 -2.57 0.44 0.00 -0.30 0.00 0.00 42.92 40.57 2kne s ASP 56 CO 0.75 -1.47 1.90 0.00 -0.17 0.00 0.00 175.17 176.18 2kne h ALA 57 N 8.90 1.32 -0.01 3.66 0.00 -1.85 -2.78 119.26 128.51 2kne h ALA 57 Ca 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2kne h ALA 57 Cb 0.95 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2kne h ALA 57 CO 1.43 0.53 -0.09 -0.40 0.00 0.00 0.00 179.25 180.72 2kne n ASP 58 N -4.34 0.79 -1.64 0.00 5.75 -1.26 -4.93 116.55 110.92 2kne n ASP 58 Ca 0.06 -0.96 -0.19 0.00 -0.01 0.00 0.00 54.79 53.69 2kne n ASP 58 Cb 0.13 -0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.16 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 1.22 1.14 0.41 6.12 0.00 -1.05 -4.86 105.19 108.17 2kne n GLY 59 Ca 0.17 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.18 1.26 0.00 1.61 6.94 -1.26 -4.91 115.26 117.72 2kne n ASN 60 Ca -0.20 -1.52 0.00 0.00 -0.02 0.00 0.00 54.58 52.84 2kne n ASN 60 Cb 0.63 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 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 1.10 0.82 3.34 4.83 0.00 -1.26 -5.01 105.19 109.01 2kne n GLY 61 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.18 0.05 -0.18 2.61 -4.23 -1.26 -4.73 115.64 104.72 2kne s THR 62 Ca 0.00 -1.53 -0.04 0.00 -1.18 0.00 0.00 61.69 58.94 2kne s THR 62 Cb 0.00 -2.01 -0.02 0.00 1.34 0.00 0.00 72.50 71.81 2kne s THR 62 CO 0.00 -0.23 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.19 2kne s ILE 63 N -4.01 3.83 0.42 2.99 -1.09 -1.07 -4.79 121.20 117.47 2kne s ILE 63 Ca 0.22 -0.37 0.06 0.00 -2.23 0.00 0.00 60.65 58.33 2kne s ILE 63 Cb 0.04 -2.70 0.06 0.00 -1.58 0.00 0.00 42.46 38.27 2kne s ILE 63 CO 0.03 0.46 0.50 0.47 -1.23 0.00 0.00 174.94 175.17 2kne n ASP 64 N 3.96 1.76 -0.10 3.58 8.00 -1.26 -2.20 116.55 130.29 2kne n ASP 64 Ca -0.17 -2.20 -0.07 0.00 0.71 0.00 0.00 54.79 53.05 2kne n ASP 64 Cb 0.52 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 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 0.23 0.34 -0.05 1.24 3.04 -1.99 -1.87 116.94 117.88 2kne h PHE 65 Ca -0.21 0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.78 2kne h PHE 65 Cb 0.92 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 39.29 2kne h PHE 65 CO 0.00 0.19 -0.11 -1.35 -2.02 0.00 0.00 178.31 175.02 2kne h PRO 66 N 0.38 -0.16 0.00 6.41 0.11 -2.01 0.32 132.00 137.04 2kne h PRO 66 Ca 0.15 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2kne h PRO 66 Cb 0.04 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.19 2kne h PRO 66 CO -0.09 -0.11 0.00 0.93 -0.21 0.00 0.00 178.00 178.52 2kne h GLU 67 N -0.17 0.00 0.20 1.05 5.08 -1.91 -2.78 114.58 116.05 2kne h GLU 67 Ca 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2kne h GLU 67 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2kne h GLU 67 CO -0.15 0.00 -0.10 0.35 -1.00 0.00 0.00 179.01 178.11 2kne h PHE 68 N 0.00 -0.25 -0.63 4.33 3.57 -0.11 -3.34 116.94 120.52 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 0.08 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 2kne h PHE 68 CO 0.00 -0.10 0.34 -0.07 -2.23 0.00 0.00 178.31 176.26 2kne h LEU 69 N -1.06 0.51 -0.76 0.59 3.38 -1.07 -2.33 115.31 114.58 2kne h LEU 69 Ca -0.03 0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.14 2kne h LEU 69 Cb 0.26 -0.07 -0.14 0.00 0.09 0.00 0.00 40.66 40.80 2kne h LEU 69 CO 0.04 0.34 -0.03 0.74 0.09 0.00 0.00 178.44 179.62 2kne h THR 70 N 0.65 0.31 -0.29 0.22 2.02 -1.67 -0.81 112.91 113.35 2kne h THR 70 Ca 0.28 -0.03 -0.06 0.00 0.77 0.00 0.00 66.41 67.37 2kne h THR 70 Cb 0.16 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 2kne h THR 70 CO -0.17 0.01 -0.04 0.24 0.37 0.00 0.00 175.52 175.94 2kne h MET 71 N 0.08 0.53 -0.81 6.66 2.86 -1.55 -3.01 114.93 119.69 2kne h MET 71 Ca 0.41 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 2kne h MET 71 Cb 0.71 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 2kne h MET 71 CO -0.69 0.71 0.46 0.52 1.06 0.00 0.00 176.91 178.96 2kne h MET 72 N 0.30 1.11 -0.32 1.72 2.07 -0.92 0.51 114.93 119.40 2kne h MET 72 Ca 0.08 -0.12 -0.08 0.00 -2.07 0.00 0.00 59.70 57.51 2kne h MET 72 Cb 0.49 -0.22 -0.02 0.00 -1.87 0.00 0.00 31.60 29.98 2kne h MET 72 CO 0.02 0.81 -0.14 0.00 1.07 0.00 0.00 176.91 178.66 2kne h ALA 73 N 1.24 1.16 0.00 6.32 0.00 -1.23 -2.90 119.26 123.85 2kne h ALA 73 Ca 0.29 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kne h ALA 73 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2kne h ALA 73 CO -0.05 0.53 -0.99 0.54 0.00 0.00 0.00 179.25 179.28 2kne n ARG 74 N -4.18 0.39 -1.92 0.00 1.74 -1.05 -4.59 116.66 107.05 2kne n ARG 74 Ca 0.01 0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.70 2kne n ARG 74 Cb 0.35 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 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 -2.19 2.94 -0.56 5.56 3.00 0.18 -4.53 118.16 122.55 2kne n LYS 75 Ca 0.01 -2.76 0.08 0.00 -0.00 0.00 0.00 58.31 55.65 2kne n LYS 75 Cb 0.47 -3.33 0.30 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 6.53 3.46 -1.61 1.64 2.81 -1.26 -4.93 117.12 123.77 2kne n MET 76 Ca 0.51 -2.90 -0.51 0.00 -1.81 0.00 0.00 57.70 53.00 2kne n MET 76 Cb 0.40 -1.93 -0.06 0.00 -0.71 0.00 0.00 33.22 30.92 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 -0.13 1.38 -3.05 0.03 4.81 -1.26 -4.90 118.16 115.04 2kne n LYS 77 Ca 0.23 0.50 -0.43 0.00 -0.87 0.00 0.00 58.31 57.74 2kne n LYS 77 Cb 0.95 -2.17 -0.06 0.00 0.02 0.00 0.00 35.03 33.77 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 0.58 6.34 -0.39 3.14 2.15 -1.26 -5.02 116.67 122.22 2kne s ASP 78 Ca 0.83 -0.31 -0.15 0.00 0.43 0.00 0.00 52.55 53.35 2kne s ASP 78 Cb -0.89 -2.35 0.01 0.00 -0.30 0.00 0.00 42.92 39.39 2kne s ASP 78 CO 0.45 -0.87 0.31 0.42 -0.17 0.00 0.00 175.17 175.31 2kne s THR 79 N 3.04 5.23 -0.02 1.71 -4.23 -1.26 -5.03 115.64 115.09 2kne s THR 79 Ca 0.25 -0.45 -0.30 0.00 -1.18 0.00 0.00 61.69 60.01 2kne s THR 79 Cb -0.14 -3.88 -0.08 0.00 1.34 0.00 0.00 72.50 69.74 2kne s THR 79 CO 0.20 -0.24 2.01 1.51 -0.54 0.00 0.00 174.62 177.57 2kne s ASP 80 N 1.71 6.24 0.57 3.99 -4.77 -1.26 -4.75 116.67 118.40 2kne s ASP 80 Ca 0.07 2.49 0.00 0.00 -3.30 0.00 0.00 52.55 51.81 2kne s ASP 80 Cb -0.18 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.12 2kne s ASP 80 CO 0.11 -1.25 0.86 -1.20 0.70 0.00 0.00 175.17 174.39 2kne n SER 81 N 8.43 0.00 -0.01 2.11 7.64 -1.26 0.12 113.62 130.65 2kne n SER 81 Ca 0.22 0.43 -0.06 0.00 1.01 0.00 0.00 58.87 60.47 2kne n SER 81 Cb 0.42 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.75 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 0.55 -1.00 1.43 4.81 -2.00 -3.04 114.58 115.32 2kne h GLU 82 Ca 0.00 -0.25 0.22 0.00 -0.13 0.00 0.00 59.36 59.20 2kne h GLU 82 Cb 1.73 -0.01 -0.11 0.00 0.63 0.00 0.00 28.75 30.99 2kne h GLU 82 CO 0.00 0.82 0.62 1.49 -0.73 0.00 0.00 179.01 181.21 2kne h GLU 83 N 0.47 0.58 0.00 1.92 4.81 0.54 0.10 114.58 123.00 2kne h GLU 83 Ca 0.05 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2kne h GLU 83 Cb 0.82 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2kne h GLU 83 CO 0.07 0.39 -0.70 1.49 -0.73 0.00 0.00 179.01 179.52 2kne h GLU 84 N 0.60 0.00 0.00 1.92 4.57 -1.72 -3.27 114.58 116.68 2kne h GLU 84 Ca 0.59 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.77 2kne h GLU 84 Cb 1.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 2kne h GLU 84 CO -0.38 0.00 0.00 -0.89 -1.18 0.00 0.00 179.01 176.56 2kne n ILE 85 N -2.72 0.00 -0.26 2.32 2.08 0.34 -1.21 119.36 119.92 2kne n ILE 85 Ca 0.01 1.26 -0.06 0.00 0.56 0.00 0.00 62.75 64.52 2kne n ILE 85 Cb 0.53 -2.25 0.05 0.00 -0.75 0.00 0.00 39.64 37.22 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 1.03 -0.91 0.38 3.08 -1.75 -2.97 114.38 113.24 2kne h ARG 86 Ca 0.00 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 2kne h ARG 86 Cb 0.00 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.83 2kne h ARG 86 CO 0.00 0.83 0.56 0.93 -1.07 0.00 0.00 179.97 181.22 2kne h GLU 87 N 0.99 1.23 0.00 0.04 5.08 -1.66 -1.02 114.58 119.24 2kne h GLU 87 Ca 0.24 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2kne h GLU 87 Cb 0.16 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2kne h GLU 87 CO -0.03 0.85 0.00 0.00 -1.00 0.00 0.00 179.01 178.84 2kne h ALA 88 N 1.31 1.00 -0.00 3.43 0.00 -0.99 -2.32 119.26 121.69 2kne h ALA 88 Ca 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2kne h ALA 88 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2kne h ALA 88 CO -0.06 0.00 -0.04 0.35 0.00 0.00 0.00 179.25 179.50 2kne h PHE 89 N 0.00 0.04 -0.76 0.00 3.57 -1.20 -2.91 116.94 115.69 2kne h PHE 89 Ca 0.00 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.56 2kne h PHE 89 Cb 0.02 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.69 2kne h PHE 89 CO 0.00 0.73 0.42 -0.09 -2.23 0.00 0.00 178.31 177.15 2kne h ARG 90 N -0.66 0.71 -0.41 1.11 2.43 -1.44 0.47 114.38 116.59 2kne h ARG 90 Ca -0.00 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 2kne h ARG 90 Cb 0.74 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 2kne h ARG 90 CO 0.01 0.47 0.03 0.28 -1.51 0.00 0.00 179.97 179.24 2kne h VAL 91 N 0.73 1.25 -0.40 0.20 2.07 -1.64 -3.07 116.25 115.38 2kne h VAL 91 Ca 0.36 -0.96 -0.14 0.00 0.82 0.00 0.00 66.70 66.78 2kne h VAL 91 Cb 0.30 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2kne h VAL 91 CO -0.23 0.33 -0.29 -0.26 0.02 0.00 0.00 177.57 177.14 2kne h PHE 92 N 0.55 1.01 -1.76 1.57 -1.00 -1.15 -3.31 116.94 112.85 2kne h PHE 92 Ca 0.12 -0.26 -0.70 0.00 2.81 0.00 0.00 57.97 59.93 2kne h PHE 92 Cb 0.44 -0.23 -0.14 0.00 3.61 0.00 0.00 35.95 39.63 2kne h PHE 92 CO 0.03 1.05 1.52 0.34 -1.61 0.00 0.00 178.31 179.65 2kne s ASP 93 N -6.78 6.90 0.11 2.17 -1.08 0.16 -4.63 116.67 113.52 2kne s ASP 93 Ca -0.10 -2.58 -0.22 0.00 -0.52 0.00 0.00 52.55 49.13 2kne s ASP 93 Cb 0.12 -2.46 -0.08 0.00 -1.46 0.00 0.00 42.92 39.04 2kne s ASP 93 CO 0.86 -0.97 1.72 0.50 0.52 0.00 0.00 175.17 177.80 2kne h LYS 94 N 7.73 -0.02 -0.25 4.34 3.64 -1.70 -2.58 116.57 127.72 2kne h LYS 94 Ca 0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 2kne h LYS 94 Cb 0.91 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2kne h LYS 94 CO 1.30 -0.02 0.00 -0.40 -2.27 0.00 0.00 179.45 178.06 2kne n ASP 95 N -5.16 1.98 -3.86 4.20 5.75 -1.26 -4.93 116.55 113.27 2kne n ASP 95 Ca -0.05 -1.81 -0.25 0.00 -0.01 0.00 0.00 54.79 52.67 2kne n ASP 95 Cb 0.09 -0.16 0.01 0.00 -1.03 0.00 0.00 41.12 40.03 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 1.17 -0.30 0.66 6.12 0.00 -0.97 -4.84 105.19 107.03 2kne n GLY 96 Ca 0.16 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.98 1.93 0.00 1.61 6.94 -1.26 -4.88 115.26 116.62 2kne n ASN 97 Ca -0.24 -1.88 0.00 0.00 -0.02 0.00 0.00 54.58 52.44 2kne n ASN 97 Cb 0.65 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 2kne n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kne n GLY 98 N 1.13 0.83 3.05 4.83 0.00 -1.26 -5.02 105.19 108.76 2kne n GLY 98 Ca 0.14 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 -3.24 0.28 -0.32 1.61 1.51 -1.26 -4.53 117.35 111.40 2kne s TYR 99 Ca 0.00 -0.61 -0.16 0.00 -1.01 0.00 0.00 57.07 55.30 2kne s TYR 99 Cb 0.00 -0.21 -0.02 0.00 -0.11 0.00 0.00 41.96 41.62 2kne s TYR 99 CO 0.00 -0.29 0.39 0.42 -1.11 0.00 0.00 175.55 174.96 2kne s ILE 100 N -2.33 5.15 0.29 2.71 1.01 -0.65 -4.67 121.20 122.70 2kne s ILE 100 Ca -0.08 0.29 -0.06 0.00 0.00 0.00 0.00 60.65 60.80 2kne s ILE 100 Cb -0.03 -3.80 -0.06 0.00 0.01 0.00 0.00 42.46 38.58 2kne s ILE 100 CO -0.04 -0.02 0.57 -0.94 0.00 0.00 0.00 174.94 174.52 2kne s SER 101 N 1.70 6.49 0.16 3.58 1.04 -1.26 -2.57 113.70 122.84 2kne s SER 101 Ca 0.14 0.80 -0.15 0.00 0.48 0.00 0.00 55.95 57.22 2kne s SER 101 Cb -0.16 -2.18 0.08 0.00 0.10 0.00 0.00 66.02 63.86 2kne s SER 101 CO 0.11 -0.19 1.77 0.00 0.98 0.00 0.00 173.24 175.91 2kne h ALA 102 N 1.82 0.51 -0.88 5.32 0.00 -1.98 -1.80 119.26 122.24 2kne h ALA 102 Ca -0.47 0.02 0.14 0.00 0.00 0.00 0.00 54.91 54.60 2kne h ALA 102 Cb 1.18 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 2kne h ALA 102 CO 0.67 -0.17 0.49 0.00 0.00 0.00 0.00 179.25 180.23 2kne h ALA 103 N 1.23 1.35 -0.49 0.00 0.00 -2.00 -0.27 119.26 119.07 2kne h ALA 103 Ca 0.18 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2kne h ALA 103 Cb 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2kne h ALA 103 CO -0.14 -0.03 0.14 0.93 0.00 0.00 0.00 179.25 180.15 2kne h GLU 104 N 0.70 0.78 -0.42 0.00 5.08 -1.69 -3.06 114.58 115.97 2kne h GLU 104 Ca 0.48 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 2kne h GLU 104 Cb 0.64 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2kne h GLU 104 CO -0.34 0.75 0.19 -0.07 -1.00 0.00 0.00 179.01 178.53 2kne h LEU 105 N 0.67 0.56 -0.96 1.33 3.38 -0.34 -2.98 115.31 116.98 2kne h LEU 105 Ca 0.16 -0.15 0.31 0.00 0.09 0.00 0.00 57.88 58.29 2kne h LEU 105 Cb 0.31 -0.15 -0.16 0.00 0.09 0.00 0.00 40.66 40.75 2kne h LEU 105 CO -0.00 0.55 0.31 -0.09 0.09 0.00 0.00 178.44 179.30 2kne h ARG 106 N 0.54 0.11 0.00 1.13 2.43 -1.01 1.31 114.38 118.90 2kne h ARG 106 Ca 0.14 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2kne h ARG 106 Cb 0.15 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2kne h ARG 106 CO -0.02 0.08 -0.12 1.25 -1.51 0.00 0.00 179.97 179.65 2kne h HIS 107 N 0.12 0.00 -0.75 2.20 2.76 -1.58 -2.80 115.15 115.09 2kne h HIS 107 Ca 0.67 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.88 2kne h HIS 107 Cb 1.53 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.44 2kne h HIS 107 CO -0.22 0.12 0.46 0.28 -1.30 0.00 0.00 177.93 177.27 2kne h VAL 108 N 0.00 1.07 -0.75 5.26 2.07 0.16 -2.42 116.25 121.64 2kne h VAL 108 Ca -0.00 -0.30 0.14 0.00 0.82 0.00 0.00 66.70 67.36 2kne h VAL 108 Cb 0.26 0.11 -0.10 0.00 -1.52 0.00 0.00 31.29 30.04 2kne h VAL 108 CO 0.02 0.16 0.29 0.24 0.02 0.00 0.00 177.57 178.30 2kne h MET 109 N 0.89 0.42 -0.92 1.57 2.07 -1.53 -1.13 114.93 116.29 2kne h MET 109 Ca 0.31 -0.03 0.10 0.00 -2.07 0.00 0.00 59.70 58.02 2kne h MET 109 Cb 0.07 -0.09 -0.08 0.00 -1.87 0.00 0.00 31.60 29.63 2kne h MET 109 CO -0.13 0.28 0.56 1.15 1.07 0.00 0.00 176.91 179.84 2kne h THR 110 N 0.43 0.95 -0.70 2.22 2.02 -1.57 0.45 112.91 116.70 2kne h THR 110 Ca 0.41 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 67.20 2kne h THR 110 Cb 0.63 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 2kne h THR 110 CO -0.41 0.17 0.15 0.78 0.37 0.00 0.00 175.52 176.59 2kne h ASN 111 N 0.94 1.07 1.12 4.18 2.35 -1.20 -2.73 115.58 121.32 2kne h ASN 111 Ca 0.44 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2kne h ASN 111 Cb 0.37 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2kne h ASN 111 CO -0.24 1.04 -0.23 0.18 -1.65 0.00 0.00 177.43 176.52 2kne n LEU 112 N -4.22 0.62 -1.05 1.61 4.77 -0.38 -4.95 117.00 113.39 2kne n LEU 112 Ca 0.05 0.41 -0.06 0.00 -0.03 0.00 0.00 56.01 56.37 2kne n LEU 112 Cb 0.27 -0.30 0.01 0.00 -2.33 0.00 0.00 43.42 41.07 2kne n LEU 112 CO 0.43 -0.08 0.01 0.61 -1.33 0.00 0.00 177.39 177.02 2kne n GLY 113 N 1.37 0.38 0.10 -0.72 0.00 0.14 -4.96 105.19 101.50 2kne n GLY 113 Ca 0.05 -0.52 0.02 0.00 0.00 0.00 0.00 46.02 45.58 2kne n GLY 113 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kne h GLU 114 N -0.43 0.00 -6.48 1.61 4.81 -1.66 -3.49 114.58 108.94 2kne h GLU 114 Ca -0.15 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.63 2kne h GLU 114 Cb 1.10 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.51 2kne h GLU 114 CO 0.15 0.23 -0.92 1.17 -0.73 0.00 0.00 179.01 178.92 2kne n LYS 115 N -2.86 -1.00 -2.53 1.92 3.00 -1.26 -4.92 118.16 110.52 2kne n LYS 115 Ca -0.07 0.49 -0.33 0.00 -0.00 0.00 0.00 58.31 58.40 2kne n LYS 115 Cb 0.78 -3.38 -0.04 0.00 0.00 0.00 0.00 35.03 32.39 2kne n LYS 115 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 2kne s LEU 116 N -6.24 3.81 0.76 3.14 2.34 -1.26 -5.08 118.68 116.15 2kne s LEU 116 Ca 0.34 1.84 -0.07 0.00 0.06 0.00 0.00 54.13 56.30 2kne s LEU 116 Cb -0.15 -4.55 0.11 0.00 -0.56 0.00 0.00 46.19 41.04 2kne s LEU 116 CO 0.89 -0.73 1.07 0.42 -1.06 0.00 0.00 176.35 176.95 2kne s THR 117 N -2.13 2.18 0.23 5.48 -4.23 -1.26 -4.94 115.64 110.97 2kne s THR 117 Ca 0.65 -0.31 -0.07 0.00 -1.18 0.00 0.00 61.69 60.78 2kne s THR 117 Cb -0.14 -2.87 0.18 0.00 1.34 0.00 0.00 72.50 71.01 2kne s THR 117 CO 0.21 0.00 1.77 -0.78 -0.54 0.00 0.00 174.62 175.29 2kne h ASP 118 N -0.80 0.45 -0.88 3.99 1.82 -2.01 -1.72 116.42 117.27 2kne h ASP 118 Ca -0.42 0.06 0.09 0.00 -0.39 0.00 0.00 57.03 56.37 2kne h ASP 118 Cb 1.28 -0.01 -0.07 0.00 0.68 0.00 0.00 39.33 41.21 2kne h ASP 118 CO 0.49 0.25 0.53 -0.33 -1.61 0.00 0.00 179.24 178.57 2kne h GLU 119 N 0.59 0.88 0.00 0.28 4.39 -2.00 -1.56 114.58 117.16 2kne h GLU 119 Ca 0.36 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.92 2kne h GLU 119 Cb 0.39 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2kne h GLU 119 CO -0.28 0.58 -0.38 0.93 -1.16 0.00 0.00 179.01 178.71 2kne h GLU 120 N 0.91 0.00 -0.46 2.33 3.07 -1.68 -0.44 114.58 118.31 2kne h GLU 120 Ca 0.41 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.24 2kne h GLU 120 Cb 0.31 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 2kne h GLU 120 CO -0.22 0.38 0.15 0.28 -1.40 0.00 0.00 179.01 178.20 2kne h VAL 121 N 0.00 1.22 -0.10 3.13 2.07 -1.02 -2.33 116.25 119.21 2kne h VAL 121 Ca -0.00 -0.71 -0.21 0.00 0.82 0.00 0.00 66.70 66.60 2kne h VAL 121 Cb 0.71 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2kne h VAL 121 CO 0.05 0.26 -0.77 -0.78 0.02 0.00 0.00 177.57 176.35 2kne h ASP 122 N 0.60 0.70 0.41 0.57 3.58 -1.31 -3.17 116.42 117.80 2kne h ASP 122 Ca 0.15 -0.47 -0.01 0.00 0.42 0.00 0.00 57.03 57.12 2kne h ASP 122 Cb 0.25 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 2kne h ASP 122 CO -0.01 1.24 -0.25 -0.08 -2.88 0.00 0.00 179.24 177.26 2kne h GLU 123 N 0.39 -0.61 -0.73 0.28 4.57 -0.89 -1.96 114.58 115.63 2kne h GLU 123 Ca -0.05 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.23 2kne h GLU 123 Cb 1.38 0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 30.05 2kne h GLU 123 CO 0.15 -0.41 0.43 0.52 -1.18 0.00 0.00 179.01 178.52 2kne h MET 124 N -0.64 0.78 -0.63 1.92 2.86 -1.54 -2.19 114.93 115.49 2kne h MET 124 Ca -0.04 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 2kne h MET 124 Cb 0.52 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 2kne h MET 124 CO 0.04 0.51 0.39 0.82 1.06 0.00 0.00 176.91 179.74 2kne h ILE 125 N 0.80 1.08 -0.55 -1.22 1.08 -1.48 -1.93 117.51 115.30 2kne h ILE 125 Ca 0.32 -0.26 -0.00 0.00 -0.39 0.00 0.00 64.86 64.52 2kne h ILE 125 Cb 0.16 0.25 -0.03 0.00 -3.07 0.00 0.00 36.82 34.12 2kne h ILE 125 CO -0.17 0.14 0.33 0.03 -0.69 0.00 0.00 178.15 177.79 2kne h ARG 126 N 0.77 0.74 -0.80 2.37 3.08 -0.73 -0.20 114.38 119.61 2kne h ARG 126 Ca 0.25 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.27 2kne h ARG 126 Cb 0.02 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 29.86 2kne h ARG 126 CO -0.10 0.52 0.51 0.93 -1.07 0.00 0.00 179.97 180.77 2kne h GLU 127 N 0.76 0.98 0.00 0.04 5.08 -1.02 -2.95 114.58 117.46 2kne h GLU 127 Ca 0.20 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2kne h GLU 127 Cb -0.02 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 2kne h GLU 127 CO -0.04 0.65 -1.18 0.00 -1.00 0.00 0.00 179.01 177.44 2kne n ALA 128 N -2.33 2.55 -2.08 3.43 0.00 -1.04 -4.79 120.51 116.25 2kne n ALA 128 Ca 0.09 -0.29 -0.28 0.00 0.00 0.00 0.00 53.44 52.96 2kne n ALA 128 Cb 0.07 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.43 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 -5.23 5.24 0.33 0.00 2.15 -0.11 -4.75 116.67 114.29 2kne s ASP 129 Ca -0.02 -0.70 0.26 0.00 0.43 0.00 0.00 52.55 52.53 2kne s ASP 129 Cb 0.10 -2.56 1.05 0.00 -0.30 0.00 0.00 42.92 41.22 2kne s ASP 129 CO 0.81 -2.65 1.78 0.40 -0.17 0.00 0.00 175.17 175.34 2kne h ILE 130 N 7.22 0.00 -3.50 4.11 2.04 -1.86 -3.43 117.51 122.08 2kne h ILE 130 Ca 0.09 -0.34 -0.17 0.00 1.00 0.00 0.00 64.86 65.45 2kne h ILE 130 Cb 1.01 1.16 -0.24 0.00 -0.74 0.00 0.00 36.82 38.02 2kne h ILE 130 CO 1.22 0.00 -0.54 1.51 0.00 0.00 0.00 178.15 180.34 2kne s ASP 131 N -4.67 -0.04 -0.27 1.72 -4.77 -1.26 -5.06 116.67 102.32 2kne s ASP 131 Ca 0.04 0.01 -0.04 0.00 -3.30 0.00 0.00 52.55 49.25 2kne s ASP 131 Cb 0.09 0.23 -0.13 0.00 -1.09 0.00 0.00 42.92 42.02 2kne s ASP 131 CO 0.45 -0.20 2.33 0.61 0.70 0.00 0.00 175.17 179.06 2kne n GLY 132 N 2.24 2.48 0.04 2.12 0.00 -1.26 -4.17 105.19 106.63 2kne n GLY 132 Ca -0.18 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.19 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 3.10 0.64 0.00 1.61 5.75 -1.26 -4.95 116.55 121.43 2kne n ASP 133 Ca 0.32 -0.42 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 2kne n ASP 133 Cb 0.44 0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.84 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 0.74 3.14 6.12 0.00 -1.26 -5.00 105.19 110.41 2kne n GLY 134 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.20 0.74 -0.30 1.61 -0.21 -1.26 -4.80 119.66 115.23 2kne s GLN 135 Ca 0.00 -1.01 -0.12 0.00 0.02 0.00 0.00 55.36 54.25 2kne s GLN 135 Cb 0.00 -0.48 -0.04 0.00 1.00 0.00 0.00 33.01 33.49 2kne s GLN 135 CO 0.00 0.08 0.25 0.08 -2.12 0.00 0.00 175.29 173.58 2kne s VAL 136 N -1.99 5.27 0.80 1.09 1.01 -1.06 -4.91 120.40 120.61 2kne s VAL 136 Ca -0.00 0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 2kne s VAL 136 Cb -0.06 -3.63 0.12 0.00 0.00 0.00 0.00 36.38 32.81 2kne s VAL 136 CO 0.00 0.13 1.13 0.21 0.00 0.00 0.00 175.10 176.57 2kne s ASN 137 N 1.73 4.19 0.25 3.32 2.47 -1.26 -1.64 114.94 124.00 2kne s ASN 137 Ca 0.08 0.32 -0.05 0.00 0.42 0.00 0.00 52.86 53.63 2kne s ASN 137 Cb -0.16 -0.72 0.28 0.00 -1.45 0.00 0.00 41.25 39.20 2kne s ASN 137 CO 0.11 -2.03 1.88 0.22 -3.72 0.00 0.00 177.10 173.56 2kne h TYR 138 N -0.97 1.17 -0.41 0.43 3.20 -1.99 -1.24 116.97 117.16 2kne h TYR 138 Ca -0.43 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.39 2kne h TYR 138 Cb 1.29 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 2kne h TYR 138 CO -0.20 0.80 0.14 0.93 -1.64 0.00 0.00 178.16 178.20 2kne h GLU 139 N 1.20 0.63 -0.59 1.82 4.39 -1.98 -1.62 114.58 118.44 2kne h GLU 139 Ca 0.30 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.80 2kne h GLU 139 Cb 0.01 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 2kne h GLU 139 CO -0.05 0.61 0.06 0.93 -1.16 0.00 0.00 179.01 179.40 2kne h GLU 140 N 0.52 0.98 -0.50 2.33 5.08 -1.79 -1.69 114.58 119.52 2kne h GLU 140 Ca 0.14 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2kne h GLU 140 Cb 0.23 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2kne h GLU 140 CO -0.01 0.93 0.29 0.35 -1.00 0.00 0.00 179.01 179.57 2kne h PHE 141 N 0.91 0.66 -0.24 4.33 3.57 -1.00 -2.88 116.94 122.30 2kne h PHE 141 Ca 0.18 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 2kne h PHE 141 Cb 0.45 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2kne h PHE 141 CO 0.03 0.47 0.01 0.28 -2.23 0.00 0.00 178.31 176.87 2kne h VAL 142 N 0.66 1.25 -0.78 1.41 2.07 -1.09 -1.83 116.25 117.95 2kne h VAL 142 Ca 0.18 -0.85 0.17 0.00 0.82 0.00 0.00 66.70 67.02 2kne h VAL 142 Cb 0.00 1.34 -0.11 0.00 -1.52 0.00 0.00 31.29 31.00 2kne h VAL 142 CO -0.03 0.27 0.24 -0.61 0.02 0.00 0.00 177.57 177.46 2kne h GLN 143 N 0.19 0.31 -0.02 1.57 5.75 -1.17 0.66 115.11 122.41 2kne h GLN 143 Ca 0.07 -0.02 -0.26 0.00 -0.15 0.00 0.00 58.65 58.29 2kne h GLN 143 Cb 0.38 -0.07 0.02 0.00 1.07 0.00 0.00 27.48 28.88 2kne h GLN 143 CO 0.01 0.21 -1.02 0.52 -2.65 0.00 0.00 178.83 175.90 2kne h MET 144 N 0.32 0.72 0.01 1.69 2.86 -1.39 -3.01 114.93 116.13 2kne h MET 144 Ca 0.45 -0.75 -0.09 0.00 -2.06 0.00 0.00 59.70 57.25 2kne h MET 144 Cb 0.77 0.21 0.01 0.00 0.06 0.00 0.00 31.60 32.65 2kne h MET 144 CO -0.50 1.33 -0.34 0.52 1.06 0.00 0.00 176.91 178.97 2kne h MET 145 N 0.41 0.22 -1.18 1.72 2.86 -0.67 -3.29 114.93 115.01 2kne h MET 145 Ca -0.12 -0.24 -0.34 0.00 -2.06 0.00 0.00 59.70 56.94 2kne h MET 145 Cb 1.67 0.07 -0.17 0.00 0.06 0.00 0.00 31.60 33.23 2kne h MET 145 CO 0.20 0.98 0.43 2.41 1.06 0.00 0.00 176.91 181.99 2kne n THR 146 N -4.43 2.55 -0.34 2.22 -1.04 0.22 -4.62 114.28 108.84 2kne n THR 146 Ca -0.10 -1.43 0.24 0.00 -2.04 0.00 0.00 64.05 60.71 2kne n THR 146 Cb 0.55 -0.95 0.47 0.00 -1.82 0.00 0.00 70.33 68.59 2kne n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kne h ALA 147 N 1.49 2.02 0.00 2.41 0.00 -1.60 -3.47 119.26 120.12 2kne h ALA 147 Ca 0.36 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2kne h ALA 147 Cb 1.59 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2kne h ALA 147 CO 0.76 -0.58 0.00 1.17 0.00 0.00 0.00 179.25 180.59