#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 1.13 -4.34 0.00 5.68 -1.26 -4.72 116.55 113.04 2kne n ASP 2 Ca 0.00 -1.34 -0.39 0.00 -0.50 0.00 0.00 54.79 52.56 2kne n ASP 2 Cb 0.00 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 39.87 2kne n ASP 2 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kne s GLN 3 N -2.04 2.75 -0.01 0.11 -2.07 -1.26 -4.91 119.66 112.23 2kne s GLN 3 Ca 0.39 -1.12 0.09 0.00 -1.82 0.00 0.00 55.36 52.91 2kne s GLN 3 Cb 0.21 -3.63 -0.14 0.00 -1.09 0.00 0.00 33.01 28.37 2kne s GLN 3 CO 0.36 -0.69 0.25 1.28 -1.32 0.00 0.00 175.29 175.17 2kne n LEU 4 N 4.93 0.10 -4.74 2.60 7.99 -1.26 -4.99 117.00 121.62 2kne n LEU 4 Ca -0.12 -0.12 -0.41 0.00 -0.01 0.00 0.00 56.01 55.36 2kne n LEU 4 Cb 0.45 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.71 2kne n LEU 4 CO 0.35 0.03 0.68 0.42 -1.51 0.00 0.00 177.39 177.35 2kne s THR 5 N -2.47 4.19 0.14 -5.08 -4.23 -1.26 -4.94 115.64 101.99 2kne s THR 5 Ca -0.02 1.99 -0.19 0.00 -1.18 0.00 0.00 61.69 62.30 2kne s THR 5 Cb 0.06 -4.27 0.02 0.00 1.34 0.00 0.00 72.50 69.65 2kne s THR 5 CO 0.39 0.39 1.69 -0.33 -0.54 0.00 0.00 174.62 176.22 2kne h GLU 6 N 4.84 0.00 -0.97 3.99 5.08 -2.02 -2.14 114.58 123.35 2kne h GLU 6 Ca -0.44 -0.00 0.34 0.00 -1.00 0.00 0.00 59.36 58.26 2kne h GLU 6 Cb 1.21 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.35 2kne h GLU 6 CO 0.70 0.00 0.62 -1.91 -1.00 0.00 0.00 179.01 177.42 2kne n GLU 7 N -5.24 -0.03 -0.02 2.33 4.07 -1.26 0.28 120.64 120.77 2kne n GLU 7 Ca -0.01 0.91 -0.07 0.00 -0.06 0.00 0.00 57.16 57.94 2kne n GLU 7 Cb 0.16 -1.79 0.11 0.00 -0.06 0.00 0.00 31.44 29.86 2kne n GLU 7 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 2kne h GLN 8 N 0.00 0.59 -0.63 5.31 5.75 -1.78 -1.90 115.11 122.44 2kne h GLN 8 Ca 0.63 -0.29 0.03 0.00 -0.15 0.00 0.00 58.65 58.87 2kne h GLN 8 Cb 2.02 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 30.53 2kne h GLN 8 CO -0.35 0.87 0.39 0.82 -2.65 0.00 0.00 178.83 177.91 2kne h ILE 9 N 0.49 1.09 -0.27 2.39 2.04 0.39 -0.56 117.51 123.08 2kne h ILE 9 Ca 0.05 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.70 2kne h ILE 9 Cb 0.87 0.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 2kne h ILE 9 CO 0.07 0.14 -0.10 0.00 0.00 0.00 0.00 178.15 178.27 2kne h ALA 10 N 1.27 0.13 -0.33 1.87 0.00 -1.19 0.63 119.26 121.64 2kne h ALA 10 Ca 0.25 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2kne h ALA 10 Cb 0.01 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2kne h ALA 10 CO -0.10 -0.50 0.12 1.49 0.00 0.00 0.00 179.25 180.27 2kne h GLU 11 N -0.05 0.50 -0.81 0.00 4.57 -0.81 -3.04 114.58 114.94 2kne h GLU 11 Ca 0.14 -0.10 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 2kne h GLU 11 Cb 0.26 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 2kne h GLU 11 CO -0.31 0.51 0.38 0.74 -1.18 0.00 0.00 179.01 179.16 2kne h PHE 12 N 0.39 1.18 -0.14 0.92 -1.00 -0.81 -3.07 116.94 114.41 2kne h PHE 12 Ca 0.11 -0.06 0.04 0.00 2.81 0.00 0.00 57.97 60.87 2kne h PHE 12 Cb 0.21 -0.37 -0.07 0.00 3.61 0.00 0.00 35.95 39.33 2kne h PHE 12 CO -0.00 0.86 -0.42 -0.22 -1.61 0.00 0.00 178.31 176.92 2kne h LYS 13 N 1.16 -0.47 -0.98 1.51 3.64 -0.76 0.34 116.57 121.01 2kne h LYS 13 Ca 0.28 0.03 0.22 0.00 -1.27 0.00 0.00 60.65 59.91 2kne h LYS 13 Cb 0.13 0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 31.94 2kne h LYS 13 CO -0.03 -0.31 0.57 0.93 -2.27 0.00 0.00 179.45 178.33 2kne h GLU 14 N -0.49 0.61 -0.84 1.90 4.39 -1.55 0.11 114.58 118.72 2kne h GLU 14 Ca 0.08 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.82 2kne h GLU 14 Cb 0.63 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.08 2kne h GLU 14 CO -0.40 0.41 0.55 0.00 -1.16 0.00 0.00 179.01 178.40 2kne h ALA 15 N 1.69 1.64 -0.86 3.43 0.00 -0.90 -2.52 119.26 121.74 2kne h ALA 15 Ca 0.60 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.55 2kne h ALA 15 Cb 1.06 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 2kne h ALA 15 CO -0.44 0.21 0.55 0.74 0.00 0.00 0.00 179.25 180.30 2kne h PHE 16 N 0.87 1.01 0.00 0.00 -1.00 -0.30 -0.61 116.94 116.91 2kne h PHE 16 Ca 0.38 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.19 2kne h PHE 16 Cb 0.33 -0.33 0.00 0.00 3.61 0.00 0.00 35.95 39.56 2kne h PHE 16 CO -0.00 0.54 0.00 1.03 -1.61 0.00 0.00 178.31 178.27 2kne h SER 17 N 1.02 0.00 -0.57 2.17 0.87 -1.49 -2.36 113.55 113.19 2kne h SER 17 Ca 0.36 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.88 2kne h SER 17 Cb 0.10 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 2kne h SER 17 CO -0.15 0.00 0.19 0.25 -0.53 0.00 0.00 176.83 176.59 2kne h LEU 18 N 0.00 0.82 0.00 2.23 5.85 -1.15 -3.29 115.31 119.77 2kne h LEU 18 Ca 0.00 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2kne h LEU 18 Cb 0.17 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2kne h LEU 18 CO 0.00 0.80 -1.09 2.22 -0.34 0.00 0.00 178.44 180.03 2kne n PHE 19 N -4.44 0.00 -2.26 1.25 1.16 -1.12 -4.87 117.46 107.17 2kne n PHE 19 Ca 0.03 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.24 2kne n PHE 19 Cb 0.20 -0.14 -0.04 0.00 -1.61 0.00 0.00 39.48 37.89 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 -2.93 5.67 -0.01 5.98 1.01 -0.90 -4.84 116.67 120.65 2kne s ASP 20 Ca 0.01 -0.43 -0.24 0.00 0.71 0.00 0.00 52.55 52.59 2kne s ASP 20 Cb 0.11 -2.55 -0.18 0.00 1.01 0.00 0.00 42.92 41.31 2kne s ASP 20 CO 0.62 -2.18 1.19 0.50 0.21 0.00 0.00 175.17 175.51 2kne h LYS 21 N 11.92 -0.21 -0.66 8.23 3.11 -1.89 -3.29 116.57 133.78 2kne h LYS 21 Ca -0.09 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 2kne h LYS 21 Cb 1.07 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.35 2kne h LYS 21 CO 1.27 0.17 0.00 -0.40 -2.81 0.00 0.00 179.45 177.68 2kne n ASP 22 N -5.00 4.45 -4.04 4.20 5.75 -1.26 -4.95 116.55 115.70 2kne n ASP 22 Ca -0.09 -2.35 -0.31 0.00 -0.01 0.00 0.00 54.79 52.04 2kne n ASP 22 Cb 0.25 -0.55 -0.08 0.00 -1.03 0.00 0.00 41.12 39.71 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 1.21 -0.21 0.16 6.12 0.00 -1.24 -4.75 105.19 106.47 2kne n GLY 23 Ca 0.25 0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.51 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 -2.16 0.59 0.00 1.61 5.75 -1.26 -4.90 116.55 116.19 2kne n ASP 24 Ca -0.10 -0.74 0.00 0.00 -0.01 0.00 0.00 54.79 53.94 2kne n ASP 24 Cb 0.49 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 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 1.25 0.79 3.02 6.12 0.00 -1.26 -5.03 105.19 110.08 2kne n GLY 25 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 2kne n GLY 25 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kne s THR 26 N -2.91 0.15 -0.20 2.61 -1.32 -1.26 -4.75 115.64 107.96 2kne s THR 26 Ca 0.00 -1.27 -0.17 0.00 -1.21 0.00 0.00 61.69 59.04 2kne s THR 26 Cb 0.00 -0.76 -0.04 0.00 -1.51 0.00 0.00 72.50 70.19 2kne s THR 26 CO 0.00 -0.70 0.45 -0.63 -2.21 0.00 0.00 174.62 171.53 2kne s ILE 27 N -2.44 5.16 0.34 5.08 1.09 -0.82 -4.92 121.20 124.68 2kne s ILE 27 Ca -0.07 0.81 0.08 0.00 -1.10 0.00 0.00 60.65 60.38 2kne s ILE 27 Cb -0.03 -3.78 -0.05 0.00 -1.06 0.00 0.00 42.46 37.55 2kne s ILE 27 CO -0.05 0.21 0.11 0.42 -0.10 0.00 0.00 174.94 175.54 2kne s THR 28 N 1.49 2.89 0.36 2.92 -4.23 -1.26 -2.69 115.64 115.12 2kne s THR 28 Ca 0.21 -1.76 0.04 0.00 -1.18 0.00 0.00 61.69 59.00 2kne s THR 28 Cb -0.15 -2.94 0.27 0.00 1.34 0.00 0.00 72.50 71.02 2kne s THR 28 CO 0.09 -0.18 2.01 0.71 -0.54 0.00 0.00 174.62 176.71 2kne h THR 29 N 1.60 1.12 0.78 3.99 1.35 -1.92 -1.95 112.91 117.88 2kne h THR 29 Ca -0.43 -0.27 -0.04 0.00 -0.55 0.00 0.00 66.41 65.12 2kne h THR 29 Cb 1.25 0.28 0.01 0.00 -1.73 0.00 0.00 68.15 67.96 2kne h THR 29 CO 0.64 0.14 -0.37 0.50 -0.25 0.00 0.00 175.52 176.18 2kne h LYS 30 N 0.78 -1.00 -0.01 4.72 3.64 -1.98 -2.50 116.57 120.21 2kne h LYS 30 Ca 0.23 0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 2kne h LYS 30 Cb -0.02 0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2kne h LYS 30 CO -0.06 -0.67 -0.07 1.05 -2.27 0.00 0.00 179.45 177.43 2kne h GLU 31 N -1.11 0.01 0.36 1.90 4.11 -1.91 -2.46 114.58 115.50 2kne h GLU 31 Ca -0.11 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.30 2kne h GLU 31 Cb 0.80 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2kne h GLU 31 CO 0.18 0.09 -0.17 1.25 0.07 0.00 0.00 179.01 180.42 2kne h LEU 32 N 0.02 -0.41 -1.21 3.06 5.85 -1.27 -3.00 115.31 118.35 2kne h LEU 32 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kne h LEU 32 Cb 0.13 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2kne h LEU 32 CO 0.01 -0.28 0.45 1.23 -0.34 0.00 0.00 178.44 179.51 2kne h GLY 33 N -0.51 1.06 0.87 3.75 0.00 -1.10 -2.71 103.07 104.43 2kne h GLY 33 Ca -0.05 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 46.86 2kne h GLY 33 CO 0.08 0.41 -0.09 -0.84 0.00 0.00 0.00 176.54 176.11 2kne h THR 34 N 1.01 0.79 -0.42 4.70 2.02 -1.34 -1.02 112.91 118.65 2kne h THR 34 Ca 0.27 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.46 2kne h THR 34 Cb -0.06 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 2kne h THR 34 CO -0.05 0.00 0.26 0.58 0.37 0.00 0.00 175.52 176.68 2kne h VAL 35 N -0.19 1.07 -0.87 3.16 2.07 -1.36 -2.28 116.25 117.85 2kne h VAL 35 Ca 0.01 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.38 2kne h VAL 35 Cb 0.19 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 2kne h VAL 35 CO -0.04 0.10 0.56 -0.03 0.02 0.00 0.00 177.57 178.18 2kne h MET 36 N 0.53 1.08 -0.94 1.57 -1.53 -1.30 -0.87 114.93 113.46 2kne h MET 36 Ca 0.16 -0.06 0.19 0.00 -3.44 0.00 0.00 59.70 56.55 2kne h MET 36 Cb -0.02 -0.24 -0.08 0.00 -0.55 0.00 0.00 31.60 30.71 2kne h MET 36 CO -0.06 0.71 0.60 -0.09 0.14 0.00 0.00 176.91 178.21 2kne h ARG 37 N 1.11 0.57 0.00 0.39 2.43 -0.62 0.80 114.38 119.06 2kne h ARG 37 Ca 0.34 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 2kne h ARG 37 Cb -0.03 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 2kne h ARG 37 CO -0.10 0.38 -0.01 0.66 -1.51 0.00 0.00 179.97 179.38 2kne h SER 38 N 0.59 0.00 0.00 -3.80 4.64 -0.82 -0.05 113.55 114.11 2kne h SER 38 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 2kne h SER 38 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2kne h SER 38 CO -0.25 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 175.90 2kne n LEU 39 N -3.16 0.00 0.00 5.97 4.77 0.28 -4.83 117.00 120.02 2kne n LEU 39 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2kne n LEU 39 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2kne n LEU 39 CO 0.23 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 2kne n GLY 40 N 0.51 0.50 3.73 -0.72 0.00 -0.03 -5.06 105.19 104.12 2kne n GLY 40 Ca 0.16 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.30 2.62 -0.74 1.61 -1.52 -1.23 -5.07 119.66 114.04 2kne s GLN 41 Ca 0.00 -1.17 0.03 0.00 -1.95 0.00 0.00 55.36 52.27 2kne s GLN 41 Cb 0.00 -2.40 0.30 0.00 -0.22 0.00 0.00 33.01 30.69 2kne s GLN 41 CO 0.00 0.40 1.07 0.09 -0.25 0.00 0.00 175.29 176.61 2kne n ASN 42 N -0.84 4.91 -4.77 5.90 5.03 -1.26 -4.43 115.26 119.80 2kne n ASN 42 Ca -0.08 -3.55 -0.40 0.00 0.87 0.00 0.00 54.58 51.42 2kne n ASN 42 Cb 0.58 -0.80 0.01 0.00 -1.02 0.00 0.00 39.78 38.55 2kne n ASN 42 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2kne s PRO 43 N -3.10 3.82 0.70 3.52 0.04 -1.26 -5.01 135.00 133.71 2kne s PRO 43 Ca 0.41 2.36 -0.11 0.00 0.04 0.00 0.00 61.00 63.71 2kne s PRO 43 Cb 0.18 -2.73 0.02 0.00 0.04 0.00 0.00 34.50 32.02 2kne s PRO 43 CO -0.05 -0.69 1.08 -0.08 0.04 0.00 0.00 177.00 177.30 2kne s THR 44 N -1.21 3.32 0.20 1.26 -1.32 -1.26 -4.95 115.64 111.68 2kne s THR 44 Ca 0.59 0.35 -0.11 0.00 -1.21 0.00 0.00 61.69 61.31 2kne s THR 44 Cb -0.42 -3.41 0.13 0.00 -1.51 0.00 0.00 72.50 67.28 2kne s THR 44 CO 0.55 -0.53 1.83 -0.08 -2.21 0.00 0.00 174.62 174.18 2kne h GLU 45 N -0.63 0.74 -0.15 7.08 4.81 -2.03 -1.42 114.58 122.98 2kne h GLU 45 Ca -0.45 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 58.78 2kne h GLU 45 Cb 1.26 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 2kne h GLU 45 CO 0.64 0.49 0.20 0.00 -0.73 0.00 0.00 179.01 179.60 2kne h ALA 46 N 1.30 1.69 -0.69 2.92 0.00 -2.01 -0.96 119.26 121.50 2kne h ALA 46 Ca 0.27 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2kne h ALA 46 Cb 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2kne h ALA 46 CO -0.12 -0.27 0.14 1.49 0.00 0.00 0.00 179.25 180.49 2kne h GLU 47 N 0.00 1.12 -0.93 0.00 4.57 -1.62 -2.03 114.58 115.69 2kne h GLU 47 Ca 0.07 -0.28 0.11 0.00 -1.18 0.00 0.00 59.36 58.08 2kne h GLU 47 Cb 0.46 -0.14 -0.07 0.00 -0.16 0.00 0.00 28.75 28.84 2kne h GLU 47 CO -0.00 1.00 0.59 -0.07 -1.18 0.00 0.00 179.01 179.36 2kne h LEU 48 N 1.05 0.82 0.26 1.64 4.07 -1.25 -2.05 115.31 119.85 2kne h LEU 48 Ca 0.21 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.19 2kne h LEU 48 Cb 0.40 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.01 2kne h LEU 48 CO 0.01 0.46 -0.12 -0.61 -1.08 0.00 0.00 178.44 177.10 2kne h GLN 49 N 0.90 -0.33 -0.35 1.13 4.15 -1.50 -2.59 115.11 116.52 2kne h GLN 49 Ca 0.44 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.95 2kne h GLN 49 Cb 0.47 0.08 -0.06 0.00 0.21 0.00 0.00 27.48 28.17 2kne h GLN 49 CO -0.20 0.01 -0.02 0.22 -1.93 0.00 0.00 178.83 176.91 2kne h ASP 50 N -0.93 -0.19 -0.07 -0.69 1.82 -1.21 -1.03 116.42 114.14 2kne h ASP 50 Ca -0.04 0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.67 2kne h ASP 50 Cb 0.50 0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.66 2kne h ASP 50 CO 0.06 -0.06 -0.03 0.24 -1.61 0.00 0.00 179.24 177.84 2kne h MET 51 N 0.07 0.14 -0.26 0.28 2.86 -1.51 -2.88 114.93 113.63 2kne h MET 51 Ca 0.17 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.76 2kne h MET 51 Cb 0.24 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 2kne h MET 51 CO -0.30 0.52 0.16 0.82 1.06 0.00 0.00 176.91 179.16 2kne h ILE 52 N -0.24 1.03 -0.48 -1.22 1.08 -1.37 -2.48 117.51 113.83 2kne h ILE 52 Ca 0.01 -0.11 0.04 0.00 -0.39 0.00 0.00 64.86 64.42 2kne h ILE 52 Cb 0.48 0.68 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 2kne h ILE 52 CO 0.01 0.06 0.32 0.78 -0.69 0.00 0.00 178.15 178.63 2kne h ASN 53 N 0.32 0.42 -0.62 1.72 2.35 -1.24 -0.03 115.58 118.50 2kne h ASN 53 Ca 0.10 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.76 2kne h ASN 53 Cb -0.01 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2kne h ASN 53 CO -0.05 0.28 0.02 -0.08 -1.65 0.00 0.00 177.43 175.96 2kne h GLU 54 N 0.48 1.08 0.00 0.81 4.81 -1.22 -3.05 114.58 117.49 2kne h GLU 54 Ca 0.20 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 2kne h GLU 54 Cb 0.19 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 2kne h GLU 54 CO -0.05 1.04 -0.69 0.28 -0.73 0.00 0.00 179.01 178.86 2kne h VAL 55 N 0.99 0.03 -0.99 0.32 2.07 -1.32 -3.44 116.25 113.92 2kne h VAL 55 Ca 0.18 -1.05 -0.57 0.00 0.82 0.00 0.00 66.70 66.07 2kne h VAL 55 Cb 0.53 1.69 -0.09 0.00 -1.52 0.00 0.00 31.29 31.91 2kne h VAL 55 CO 0.03 0.02 1.56 -0.62 0.02 0.00 0.00 177.57 178.57 2kne s ASP 56 N -5.66 6.38 0.28 0.57 2.15 -0.07 -4.84 116.67 115.48 2kne s ASP 56 Ca 0.02 -1.60 -0.02 0.00 0.43 0.00 0.00 52.55 51.39 2kne s ASP 56 Cb 0.08 -2.57 0.40 0.00 -0.30 0.00 0.00 42.92 40.53 2kne s ASP 56 CO 0.75 -1.63 1.85 0.00 -0.17 0.00 0.00 175.17 175.98 2kne h ALA 57 N 9.47 1.25 -0.01 3.66 0.00 -1.85 -2.88 119.26 128.90 2kne h ALA 57 Ca 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2kne h ALA 57 Cb 0.98 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2kne h ALA 57 CO 1.41 0.54 -0.09 -0.40 0.00 0.00 0.00 179.25 180.71 2kne n ASP 58 N -4.30 0.78 -1.76 0.00 5.75 -1.26 -4.93 116.55 110.83 2kne n ASP 58 Ca 0.05 -0.96 -0.20 0.00 -0.01 0.00 0.00 54.79 53.68 2kne n ASP 58 Cb 0.19 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.21 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 1.13 0.45 6.12 0.00 -1.09 -4.85 105.19 108.18 2kne n GLY 59 Ca 0.17 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.38 1.37 0.00 1.61 6.94 -1.26 -4.91 115.26 117.63 2kne n ASN 60 Ca -0.21 -1.62 0.00 0.00 -0.02 0.00 0.00 54.58 52.73 2kne n ASN 60 Cb 0.66 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 38.00 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 1.09 0.87 3.45 4.83 0.00 -1.26 -5.00 105.19 109.16 2kne n GLY 61 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.44 0.00 -0.14 2.61 -4.23 -1.26 -4.72 115.64 104.46 2kne s THR 62 Ca 0.00 -1.60 -0.00 0.00 -1.18 0.00 0.00 61.69 58.91 2kne s THR 62 Cb 0.00 -2.29 -0.01 0.00 1.34 0.00 0.00 72.50 71.54 2kne s THR 62 CO 0.00 -0.01 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.30 2kne s ILE 63 N -4.06 2.95 0.23 2.99 1.01 -1.09 -4.82 121.20 118.41 2kne s ILE 63 Ca 0.28 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 60.27 2kne s ILE 63 Cb 0.02 -2.24 0.03 0.00 0.01 0.00 0.00 42.46 40.28 2kne s ILE 63 CO 0.10 0.52 0.26 -0.90 0.00 0.00 0.00 174.94 174.92 2kne n ASP 64 N 3.67 1.19 -0.12 3.58 5.68 -1.26 -1.95 116.55 127.34 2kne n ASP 64 Ca -0.18 -1.68 -0.07 0.00 -0.50 0.00 0.00 54.79 52.35 2kne n ASP 64 Cb 0.52 -0.11 0.01 0.00 -1.14 0.00 0.00 41.12 40.40 2kne n ASP 64 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2kne h PHE 65 N 0.25 0.40 0.02 2.11 3.04 -1.99 -1.91 116.94 118.85 2kne h PHE 65 Ca -0.12 0.01 0.02 0.00 3.98 0.00 0.00 57.97 61.86 2kne h PHE 65 Cb 0.51 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.87 2kne h PHE 65 CO 0.00 0.23 -0.11 -1.35 -2.02 0.00 0.00 178.31 175.05 2kne h PRO 66 N 0.44 -0.20 0.00 6.41 0.11 -2.01 -0.49 132.00 136.26 2kne h PRO 66 Ca 0.15 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2kne h PRO 66 Cb 0.02 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.18 2kne h PRO 66 CO -0.08 -0.13 0.00 0.93 -0.21 0.00 0.00 178.00 178.51 2kne h GLU 67 N -0.20 0.00 0.22 1.05 5.08 -1.93 -2.85 114.58 115.94 2kne h GLU 67 Ca 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 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 -0.10 0.00 -0.10 0.35 -1.00 0.00 0.00 179.01 178.16 2kne h PHE 68 N 0.00 -0.27 -0.78 4.33 3.57 -0.28 -3.35 116.94 120.17 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 0.12 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.89 2kne h PHE 68 CO 0.00 -0.07 0.48 -0.07 -2.23 0.00 0.00 178.31 176.41 2kne h LEU 69 N -1.05 0.75 -0.72 0.59 3.38 -1.15 -2.50 115.31 114.62 2kne h LEU 69 Ca -0.03 0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.10 2kne h LEU 69 Cb 0.32 -0.14 -0.13 0.00 0.09 0.00 0.00 40.66 40.79 2kne h LEU 69 CO 0.05 0.49 -0.13 0.74 0.09 0.00 0.00 178.44 179.69 2kne h THR 70 N 0.89 0.31 -0.26 0.22 2.02 -1.67 -0.46 112.91 113.95 2kne h THR 70 Ca 0.33 -0.01 -0.06 0.00 0.77 0.00 0.00 66.41 67.45 2kne h THR 70 Cb 0.13 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 2kne h THR 70 CO -0.16 0.00 -0.05 0.24 0.37 0.00 0.00 175.52 175.93 2kne h MET 71 N 0.03 0.50 -0.91 6.66 2.86 -1.58 -3.10 114.93 119.38 2kne h MET 71 Ca 0.36 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2kne h MET 71 Cb 0.58 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.16 2kne h MET 71 CO -0.71 0.71 0.54 0.52 1.06 0.00 0.00 176.91 179.02 2kne h MET 72 N 0.25 1.24 -0.32 1.72 2.07 -1.01 0.28 114.93 119.17 2kne h MET 72 Ca 0.07 -0.12 -0.06 0.00 -2.07 0.00 0.00 59.70 57.52 2kne h MET 72 Cb 0.51 -0.26 -0.02 0.00 -1.87 0.00 0.00 31.60 29.97 2kne h MET 72 CO 0.02 0.88 -0.05 0.00 1.07 0.00 0.00 176.91 178.83 2kne h ALA 73 N 1.29 1.32 0.00 6.32 0.00 -1.15 -2.64 119.26 124.41 2kne h ALA 73 Ca 0.33 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2kne h ALA 73 Cb -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2kne h ALA 73 CO -0.06 0.46 -0.72 0.54 0.00 0.00 0.00 179.25 179.47 2kne n ARG 74 N -4.25 0.00 -1.76 0.00 5.12 -0.98 -4.58 116.66 110.20 2kne n ARG 74 Ca 0.01 -0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.52 2kne n ARG 74 Cb 0.28 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.07 2kne n ARG 74 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2kne n LYS 75 N -1.50 3.25 -0.39 5.56 3.00 0.95 -4.46 118.16 124.57 2kne n LYS 75 Ca 0.05 -2.73 0.08 0.00 -0.00 0.00 0.00 58.31 55.71 2kne n LYS 75 Cb 0.33 -3.09 0.24 0.00 0.00 0.00 0.00 35.03 32.51 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 4.97 3.12 -1.60 1.64 2.81 -1.26 -4.95 117.12 121.84 2kne n MET 76 Ca 0.56 -2.56 -0.49 0.00 -1.81 0.00 0.00 57.70 53.40 2kne n MET 76 Cb 0.35 -1.65 -0.04 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 0.22 1.31 -3.09 0.03 4.81 -1.26 -4.90 118.16 115.28 2kne n LYS 77 Ca 0.19 0.47 -0.44 0.00 -0.87 0.00 0.00 58.31 57.66 2kne n LYS 77 Cb 0.72 -2.02 -0.06 0.00 0.02 0.00 0.00 35.03 33.69 2kne n LYS 77 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2kne s ASP 78 N 0.16 6.24 -0.20 3.14 -4.77 -1.26 -5.03 116.67 114.96 2kne s ASP 78 Ca 0.75 -0.83 -0.22 0.00 -3.30 0.00 0.00 52.55 48.95 2kne s ASP 78 Cb -0.84 -2.32 -0.02 0.00 -1.09 0.00 0.00 42.92 38.65 2kne s ASP 78 CO 0.50 -0.97 0.67 -0.89 0.70 0.00 0.00 175.17 175.18 2kne s THR 79 N 2.90 4.99 -0.30 2.11 2.01 -1.26 -5.00 115.64 121.09 2kne s THR 79 Ca 0.18 1.27 -0.29 0.00 0.31 0.00 0.00 61.69 63.16 2kne s THR 79 Cb -0.18 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.33 2kne s THR 79 CO 0.13 0.08 1.66 -1.81 -0.69 0.00 0.00 174.62 173.99 2kne s ASP 80 N 1.22 6.17 0.57 3.53 1.01 -1.26 -4.80 116.67 123.12 2kne s ASP 80 Ca 0.30 1.36 0.07 0.00 0.71 0.00 0.00 52.55 54.99 2kne s ASP 80 Cb -0.16 -2.53 0.22 0.00 1.01 0.00 0.00 42.92 41.47 2kne s ASP 80 CO 0.10 -1.47 0.95 -1.20 0.21 0.00 0.00 175.17 173.77 2kne n SER 81 N 9.25 0.00 -0.03 0.27 7.64 -1.26 0.12 113.62 129.62 2kne n SER 81 Ca 0.20 0.50 -0.07 0.00 1.01 0.00 0.00 58.87 60.51 2kne n SER 81 Cb 0.46 -0.06 0.10 0.00 -1.01 0.00 0.00 64.21 63.70 2kne n SER 81 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2kne h GLU 82 N 0.00 0.62 -1.05 1.43 3.07 -2.01 -3.12 114.58 113.52 2kne h GLU 82 Ca 0.12 -0.30 0.27 0.00 -0.50 0.00 0.00 59.36 58.96 2kne h GLU 82 Cb 1.99 -0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 29.81 2kne h GLU 82 CO -0.00 0.89 0.67 1.49 -1.40 0.00 0.00 179.01 180.66 2kne h GLU 83 N 0.51 0.37 0.00 2.33 4.81 0.57 0.34 114.58 123.52 2kne h GLU 83 Ca 0.05 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2kne h GLU 83 Cb 0.87 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.17 2kne h GLU 83 CO 0.08 0.25 -0.63 -0.85 -0.73 0.00 0.00 179.01 177.12 2kne n GLU 84 N -4.64 0.23 0.00 1.92 0.28 -1.18 -3.80 120.64 113.45 2kne n GLU 84 Ca 0.26 0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 2kne n GLU 84 Cb 0.90 -1.64 0.00 0.00 1.43 0.00 0.00 31.44 32.13 2kne n GLU 84 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2kne n ILE 85 N -1.97 0.00 -0.28 3.84 2.08 0.12 -1.49 119.36 121.67 2kne n ILE 85 Ca 0.04 1.14 -0.06 0.00 0.56 0.00 0.00 62.75 64.43 2kne n ILE 85 Cb 0.42 -2.08 0.06 0.00 -0.75 0.00 0.00 39.64 37.29 2kne n ILE 85 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 2kne h ARG 86 N 0.00 1.10 -0.79 0.38 0.11 -1.78 -2.98 114.38 110.42 2kne h ARG 86 Ca 0.00 -0.16 -0.04 0.00 0.10 0.00 0.00 59.98 59.88 2kne h ARG 86 Cb 0.00 -0.20 -0.04 0.00 1.11 0.00 0.00 29.97 30.85 2kne h ARG 86 CO 0.00 0.86 0.33 0.93 0.10 0.00 0.00 179.97 182.19 2kne h GLU 87 N 1.07 1.17 0.00 0.08 5.08 -1.69 -1.61 114.58 118.68 2kne h GLU 87 Ca 0.26 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2kne h GLU 87 Cb 0.12 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2kne h GLU 87 CO -0.03 0.93 0.00 0.00 -1.00 0.00 0.00 179.01 178.91 2kne h ALA 88 N 1.18 1.00 -0.01 3.43 0.00 -1.10 -2.48 119.26 121.28 2kne h ALA 88 Ca 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2kne h ALA 88 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kne h ALA 88 CO -0.03 0.00 -0.06 0.35 0.00 0.00 0.00 179.25 179.52 2kne h PHE 89 N 0.00 0.08 -0.87 0.00 3.57 -1.28 -3.01 116.94 115.42 2kne h PHE 89 Ca 0.00 -0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.57 2kne h PHE 89 Cb 0.08 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 38.73 2kne h PHE 89 CO 0.00 0.73 0.52 0.00 -2.23 0.00 0.00 178.31 177.33 2kne h ARG 90 N -0.60 0.83 -0.40 1.11 3.08 -1.47 0.31 114.38 117.24 2kne h ARG 90 Ca -0.00 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 2kne h ARG 90 Cb 0.74 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2kne h ARG 90 CO 0.01 0.55 0.04 0.28 -1.07 0.00 0.00 179.97 179.78 2kne h VAL 91 N 0.85 1.25 -0.44 2.04 2.07 -1.64 -3.08 116.25 117.30 2kne h VAL 91 Ca 0.42 -0.91 -0.14 0.00 0.82 0.00 0.00 66.70 66.89 2kne h VAL 91 Cb 0.39 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2kne h VAL 91 CO -0.25 0.31 -0.26 -0.26 0.02 0.00 0.00 177.57 177.13 2kne h PHE 92 N 0.51 1.09 -1.62 1.57 -1.00 -1.19 -3.31 116.94 112.99 2kne h PHE 92 Ca 0.12 -0.28 -0.70 0.00 2.81 0.00 0.00 57.97 59.92 2kne h PHE 92 Cb 0.40 -0.25 -0.13 0.00 3.61 0.00 0.00 35.95 39.58 2kne h PHE 92 CO 0.03 1.09 1.63 0.34 -1.61 0.00 0.00 178.31 179.79 2kne s ASP 93 N -6.76 6.90 0.11 2.17 -1.08 0.10 -4.62 116.67 113.49 2kne s ASP 93 Ca -0.11 -2.58 -0.22 0.00 -0.52 0.00 0.00 52.55 49.12 2kne s ASP 93 Cb 0.12 -2.48 -0.09 0.00 -1.46 0.00 0.00 42.92 39.01 2kne s ASP 93 CO 0.87 -1.00 1.72 0.50 0.52 0.00 0.00 175.17 177.78 2kne h LYS 94 N 7.68 -0.02 -0.23 4.34 3.64 -1.71 -2.63 116.57 127.64 2kne h LYS 94 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2kne h LYS 94 Cb 0.90 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 2kne h LYS 94 CO 1.33 -0.01 0.00 -0.40 -2.27 0.00 0.00 179.45 178.09 2kne n ASP 95 N -5.15 1.93 -3.85 4.20 5.75 -1.26 -4.93 116.55 113.23 2kne n ASP 95 Ca -0.05 -1.79 -0.25 0.00 -0.01 0.00 0.00 54.79 52.69 2kne n ASP 95 Cb 0.08 -0.15 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 -0.29 0.61 6.12 0.00 -0.99 -4.84 105.19 106.96 2kne n GLY 96 Ca 0.16 0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.99 1.80 0.00 1.61 6.94 -1.26 -4.88 115.26 116.48 2kne n ASN 97 Ca -0.25 -1.81 0.00 0.00 -0.02 0.00 0.00 54.58 52.50 2kne n ASN 97 Cb 0.66 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 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 1.12 0.79 3.14 4.83 0.00 -1.26 -5.03 105.19 108.79 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 -2.97 0.24 -0.36 1.61 1.51 -1.26 -4.68 117.35 111.44 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 -0.16 -0.00 0.00 -0.11 0.00 0.00 41.96 41.69 2kne s TYR 99 CO 0.00 -0.43 0.48 0.42 -1.11 0.00 0.00 175.55 174.91 2kne s ILE 100 N -3.31 5.05 0.32 2.71 1.01 -0.71 -4.66 121.20 121.61 2kne s ILE 100 Ca 0.01 0.20 -0.12 0.00 0.00 0.00 0.00 60.65 60.74 2kne s ILE 100 Cb 0.03 -3.95 -0.08 0.00 0.01 0.00 0.00 42.46 38.47 2kne s ILE 100 CO -0.08 -0.23 0.69 -0.44 0.00 0.00 0.00 174.94 174.89 2kne s SER 101 N 1.77 6.64 0.13 3.58 0.01 -1.26 -2.45 113.70 122.12 2kne s SER 101 Ca 0.17 1.12 -0.19 0.00 1.31 0.00 0.00 55.95 58.35 2kne s SER 101 Cb -0.16 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 2kne s SER 101 CO 0.13 -0.23 1.74 0.00 0.41 0.00 0.00 173.24 175.29 2kne h ALA 102 N 1.98 0.23 -0.95 1.44 0.00 -1.97 -1.00 119.26 118.99 2kne h ALA 102 Ca -0.47 0.04 0.15 0.00 0.00 0.00 0.00 54.91 54.62 2kne h ALA 102 Cb 1.18 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 2kne h ALA 102 CO 0.66 -0.38 0.56 0.00 0.00 0.00 0.00 179.25 180.09 2kne h ALA 103 N 1.16 1.47 -0.37 0.00 0.00 -1.98 -0.05 119.26 119.48 2kne h ALA 103 Ca 0.10 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2kne h ALA 103 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2kne h ALA 103 CO -0.13 0.05 0.02 0.93 0.00 0.00 0.00 179.25 180.12 2kne h GLU 104 N 0.81 0.65 -0.20 0.00 5.08 -1.68 -3.20 114.58 116.04 2kne h GLU 104 Ca 0.50 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2kne h GLU 104 Cb 0.64 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2kne h GLU 104 CO -0.32 0.74 0.09 1.25 -1.00 0.00 0.00 179.01 179.76 2kne h LEU 105 N 0.48 0.27 -0.97 1.33 6.46 0.11 -3.08 115.31 119.91 2kne h LEU 105 Ca 0.11 -0.15 0.29 0.00 -0.12 0.00 0.00 57.88 58.01 2kne h LEU 105 Cb 0.43 -0.07 -0.18 0.00 -0.73 0.00 0.00 40.66 40.12 2kne h LEU 105 CO 0.02 0.34 0.15 -0.09 -0.62 0.00 0.00 178.44 178.24 2kne h ARG 106 N 0.18 0.04 -0.20 1.25 2.43 -1.06 1.46 114.38 118.49 2kne h ARG 106 Ca 0.07 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.29 2kne h ARG 106 Cb 0.15 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2kne h ARG 106 CO -0.01 0.03 0.19 1.25 -1.51 0.00 0.00 179.97 179.92 2kne h HIS 107 N 0.04 0.00 -0.90 2.20 2.76 -1.61 -2.02 115.15 115.62 2kne h HIS 107 Ca 0.64 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.88 2kne h HIS 107 Cb 1.40 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 30.29 2kne h HIS 107 CO -0.37 0.00 0.55 -0.24 -1.30 0.00 0.00 177.93 176.57 2kne h VAL 108 N 0.00 1.01 -0.42 5.26 3.04 0.19 -2.63 116.25 122.70 2kne h VAL 108 Ca 0.10 -0.33 0.09 0.00 -1.01 0.00 0.00 66.70 65.54 2kne h VAL 108 Cb 0.47 -0.05 -0.08 0.00 -2.01 0.00 0.00 31.29 29.61 2kne h VAL 108 CO -0.00 0.18 -0.12 0.24 -1.01 0.00 0.00 177.57 176.85 2kne h MET 109 N 0.98 -0.02 -0.96 4.17 2.07 -1.47 -1.28 114.93 118.42 2kne h MET 109 Ca 0.41 0.00 0.18 0.00 -2.07 0.00 0.00 59.70 58.21 2kne h MET 109 Cb 0.25 0.01 -0.10 0.00 -1.87 0.00 0.00 31.60 29.88 2kne h MET 109 CO -0.20 -0.02 0.55 1.15 1.07 0.00 0.00 176.91 179.47 2kne h THR 110 N -0.02 0.71 -0.61 2.22 2.02 -1.62 0.49 112.91 116.10 2kne h THR 110 Ca 0.21 -0.25 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 2kne h THR 110 Cb 0.34 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 2kne h THR 110 CO -0.45 0.13 0.12 0.78 0.37 0.00 0.00 175.52 176.47 2kne h ASN 111 N 0.72 0.95 1.23 4.18 2.35 -1.25 -2.88 115.58 120.88 2kne h ASN 111 Ca 0.54 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2kne h ASN 111 Cb 0.82 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.94 2kne h ASN 111 CO -0.38 0.96 -0.21 0.18 -1.65 0.00 0.00 177.43 176.33 2kne n LEU 112 N -4.31 0.73 -1.21 1.61 4.77 0.05 -4.95 117.00 113.68 2kne n LEU 112 Ca 0.03 0.45 -0.07 0.00 -0.03 0.00 0.00 56.01 56.38 2kne n LEU 112 Cb 0.27 -0.28 0.01 0.00 -2.33 0.00 0.00 43.42 41.09 2kne n LEU 112 CO 0.42 -0.12 0.01 0.61 -1.33 0.00 0.00 177.39 176.98 2kne n GLY 113 N 1.33 0.30 0.13 -0.72 0.00 0.15 -4.95 105.19 101.44 2kne n GLY 113 Ca 0.05 -0.47 0.07 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.52 0.00 -6.71 1.61 5.08 -1.80 -3.48 114.58 108.76 2kne h GLU 114 Ca -0.18 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.64 2kne h GLU 114 Cb 1.12 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.39 2kne h GLU 114 CO 0.19 0.16 -0.99 1.63 -1.00 0.00 0.00 179.01 179.00 2kne n LYS 115 N -2.90 -0.57 -2.86 2.33 4.01 -1.26 -4.90 118.16 112.01 2kne n LYS 115 Ca -0.02 0.22 -0.34 0.00 -0.51 0.00 0.00 58.31 57.66 2kne n LYS 115 Cb 0.66 -3.02 -0.07 0.00 -0.51 0.00 0.00 35.03 32.09 2kne n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2kne s LEU 116 N -7.08 4.05 0.85 -0.35 1.43 -1.26 -5.08 118.68 111.24 2kne s LEU 116 Ca 0.48 1.66 -0.11 0.00 -1.03 0.00 0.00 54.13 55.13 2kne s LEU 116 Cb -0.23 -4.35 0.15 0.00 0.03 0.00 0.00 46.19 41.78 2kne s LEU 116 CO 0.94 -0.27 1.19 0.42 0.23 0.00 0.00 176.35 178.86 2kne s THR 117 N -2.02 2.07 0.19 5.49 -4.23 -1.26 -4.84 115.64 111.04 2kne s THR 117 Ca 0.58 -0.15 -0.11 0.00 -1.18 0.00 0.00 61.69 60.83 2kne s THR 117 Cb -0.11 -2.92 0.11 0.00 1.34 0.00 0.00 72.50 70.92 2kne s THR 117 CO 0.16 0.00 1.81 -0.78 -0.54 0.00 0.00 174.62 175.27 2kne h ASP 118 N -1.18 0.51 -0.22 3.99 1.82 -1.99 -0.82 116.42 118.54 2kne h ASP 118 Ca -0.43 0.02 0.02 0.00 -0.39 0.00 0.00 57.03 56.25 2kne h ASP 118 Cb 1.27 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 41.17 2kne h ASP 118 CO 0.47 0.35 0.08 -0.33 -1.61 0.00 0.00 179.24 178.19 2kne h GLU 119 N 0.64 0.17 -0.04 0.28 5.08 -1.99 -1.81 114.58 116.91 2kne h GLU 119 Ca 0.25 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.49 2kne h GLU 119 Cb 0.11 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2kne h GLU 119 CO -0.14 0.11 -0.52 0.93 -1.00 0.00 0.00 179.01 178.39 2kne h GLU 120 N 0.18 0.10 -0.62 2.33 5.08 -1.86 -1.28 114.58 118.50 2kne h GLU 120 Ca 0.09 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2kne h GLU 120 Cb 0.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2kne h GLU 120 CO -0.09 0.59 0.25 0.28 -1.00 0.00 0.00 179.01 179.04 2kne h VAL 121 N 0.08 1.23 -0.33 3.13 2.07 -0.84 -2.24 116.25 119.35 2kne h VAL 121 Ca -0.00 -0.72 -0.11 0.00 0.82 0.00 0.00 66.70 66.68 2kne h VAL 121 Cb 0.94 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2kne h VAL 121 CO 0.07 0.28 -0.27 0.44 0.02 0.00 0.00 177.57 178.12 2kne h ASP 122 N 0.87 0.68 0.01 0.57 3.32 -1.13 -3.10 116.42 117.64 2kne h ASP 122 Ca 0.21 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.01 2kne h ASP 122 Cb 0.20 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2kne h ASP 122 CO -0.02 0.92 -0.04 -0.08 -1.72 0.00 0.00 179.24 178.31 2kne h GLU 123 N 0.58 -0.07 -0.76 3.56 4.81 -0.68 -2.13 114.58 119.89 2kne h GLU 123 Ca 0.08 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.35 2kne h GLU 123 Cb 0.76 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.10 2kne h GLU 123 CO 0.06 -0.05 0.47 0.52 -0.73 0.00 0.00 179.01 179.28 2kne h MET 124 N -0.07 0.86 -0.64 1.92 2.86 -1.45 -2.22 114.93 116.19 2kne h MET 124 Ca 0.01 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2kne h MET 124 Cb 0.08 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 2kne h MET 124 CO -0.03 0.57 0.42 0.82 1.06 0.00 0.00 176.91 179.75 2kne h ILE 125 N 0.89 1.17 -0.88 -1.22 2.04 -1.42 -2.26 117.51 115.83 2kne h ILE 125 Ca 0.32 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.89 2kne h ILE 125 Cb 0.09 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.36 2kne h ILE 125 CO -0.14 0.16 0.58 -0.09 0.00 0.00 0.00 178.15 178.66 2kne h ARG 126 N 0.87 1.13 -0.86 2.37 2.43 -0.80 0.52 114.38 120.04 2kne h ARG 126 Ca 0.23 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 2kne h ARG 126 Cb -0.09 -0.26 -0.05 0.00 -0.42 0.00 0.00 29.97 29.15 2kne h ARG 126 CO -0.05 0.75 0.55 0.93 -1.51 0.00 0.00 179.97 180.64 2kne h GLU 127 N 1.17 1.05 0.00 0.20 5.08 -0.99 -2.98 114.58 118.11 2kne h GLU 127 Ca 0.33 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.47 2kne h GLU 127 Cb -0.10 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 28.89 2kne h GLU 127 CO -0.08 0.69 -1.34 0.00 -1.00 0.00 0.00 179.01 177.29 2kne h ALA 128 N 1.35 0.65 -0.75 3.43 0.00 -1.35 -3.44 119.26 119.16 2kne h ALA 128 Ca 0.34 -0.79 -0.35 0.00 0.00 0.00 0.00 54.91 54.11 2kne h ALA 128 Cb -0.00 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 2kne h ALA 128 CO -0.11 0.86 0.93 0.34 0.00 0.00 0.00 179.25 181.27 2kne s ASP 129 N -5.81 5.38 0.25 0.00 2.15 0.14 -4.75 116.67 114.04 2kne s ASP 129 Ca -0.02 -0.97 0.23 0.00 0.43 0.00 0.00 52.55 52.22 2kne s ASP 129 Cb 0.09 -2.57 0.97 0.00 -0.30 0.00 0.00 42.92 41.11 2kne s ASP 129 CO 0.81 -2.56 1.71 0.00 -0.17 0.00 0.00 175.17 174.96 2kne n ILE 130 N 7.68 0.83 -3.90 4.11 0.13 -1.26 -4.67 119.36 122.28 2kne n ILE 130 Ca 0.40 0.22 -0.11 0.00 -1.10 0.00 0.00 62.75 62.16 2kne n ILE 130 Cb 0.47 -1.15 -0.12 0.00 -0.84 0.00 0.00 39.64 38.00 2kne n ILE 130 CO 0.00 0.00 0.00 1.51 2.80 0.00 0.00 176.55 180.86 2kne s ASP 131 N -4.23 0.06 -0.21 9.51 -4.77 -1.26 -5.05 116.67 110.72 2kne s ASP 131 Ca 0.04 -0.14 -0.04 0.00 -3.30 0.00 0.00 52.55 49.12 2kne s ASP 131 Cb 0.09 0.10 -0.13 0.00 -1.09 0.00 0.00 42.92 41.89 2kne s ASP 131 CO 0.39 -0.14 2.24 0.61 0.70 0.00 0.00 175.17 178.97 2kne n GLY 132 N 2.44 2.36 0.01 2.12 0.00 -1.26 -4.14 105.19 106.71 2kne n GLY 132 Ca -0.17 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 3.04 0.60 0.00 1.61 5.75 -1.26 -4.95 116.55 121.34 2kne n ASP 133 Ca 0.29 -0.39 0.00 0.00 -0.01 0.00 0.00 54.79 54.68 2kne n ASP 133 Cb 0.43 0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.89 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 1.50 0.69 3.13 6.12 0.00 -1.26 -5.00 105.19 110.36 2kne n GLY 134 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2kne n GLY 134 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kne s GLN 135 N -0.23 0.71 -0.29 1.61 0.74 -1.26 -4.72 119.66 116.21 2kne s GLN 135 Ca 0.00 -1.05 -0.11 0.00 0.05 0.00 0.00 55.36 54.26 2kne s GLN 135 Cb 0.00 -0.33 -0.04 0.00 1.10 0.00 0.00 33.01 33.74 2kne s GLN 135 CO 0.00 0.04 0.18 0.08 -0.55 0.00 0.00 175.29 175.04 2kne s VAL 136 N -2.37 5.11 0.79 1.34 1.01 -1.02 -4.88 120.40 120.37 2kne s VAL 136 Ca 0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 2kne s VAL 136 Cb -0.03 -3.49 0.11 0.00 0.00 0.00 0.00 36.38 32.97 2kne s VAL 136 CO -0.01 0.19 1.11 0.21 0.00 0.00 0.00 175.10 176.60 2kne s ASN 137 N 1.72 4.27 0.23 3.32 2.47 -1.26 -1.75 114.94 123.93 2kne s ASN 137 Ca 0.07 0.33 -0.08 0.00 0.42 0.00 0.00 52.86 53.60 2kne s ASN 137 Cb -0.16 -0.77 0.20 0.00 -1.45 0.00 0.00 41.25 39.07 2kne s ASN 137 CO 0.10 -1.97 1.87 0.22 -3.72 0.00 0.00 177.10 173.60 2kne h TYR 138 N -0.92 1.14 -0.51 0.43 3.20 -1.98 -1.69 116.97 116.62 2kne h TYR 138 Ca -0.43 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.43 2kne h TYR 138 Cb 1.29 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 2kne h TYR 138 CO -0.13 0.75 0.30 0.93 -1.64 0.00 0.00 178.16 178.38 2kne h GLU 139 N 1.19 0.70 -0.58 1.82 5.08 -1.99 -1.48 114.58 119.32 2kne h GLU 139 Ca 0.31 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.53 2kne h GLU 139 Cb -0.05 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 2kne h GLU 139 CO -0.06 0.52 0.08 0.93 -1.00 0.00 0.00 179.01 179.48 2kne h GLU 140 N 0.68 0.95 -0.40 2.33 5.08 -1.80 -1.84 114.58 119.59 2kne h GLU 140 Ca 0.18 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2kne h GLU 140 Cb 0.01 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2kne h GLU 140 CO -0.03 0.89 0.23 0.35 -1.00 0.00 0.00 179.01 179.45 2kne h PHE 141 N 0.90 0.54 -0.26 4.33 3.57 -0.91 -2.73 116.94 122.39 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 0.42 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2kne h PHE 141 CO 0.03 0.41 0.06 0.28 -2.23 0.00 0.00 178.31 176.85 2kne h VAL 142 N 0.52 1.22 -0.83 1.41 2.07 -1.09 -1.56 116.25 117.99 2kne h VAL 142 Ca 0.14 -0.72 0.16 0.00 0.82 0.00 0.00 66.70 67.10 2kne h VAL 142 Cb 0.04 1.20 -0.10 0.00 -1.52 0.00 0.00 31.29 30.91 2kne h VAL 142 CO -0.02 0.23 0.38 -0.61 0.02 0.00 0.00 177.57 177.57 2kne h GLN 143 N 0.24 0.50 -0.05 1.57 5.75 -1.22 0.19 115.11 122.08 2kne h GLN 143 Ca 0.08 -0.03 -0.25 0.00 -0.15 0.00 0.00 58.65 58.30 2kne h GLN 143 Cb 0.30 -0.11 0.02 0.00 1.07 0.00 0.00 27.48 28.75 2kne h GLN 143 CO 0.00 0.33 -0.96 0.52 -2.65 0.00 0.00 178.83 176.07 2kne h MET 144 N 0.51 0.73 -0.06 1.69 2.86 -1.30 -3.16 114.93 116.19 2kne h MET 144 Ca 0.47 -0.72 -0.04 0.00 -2.06 0.00 0.00 59.70 57.34 2kne h MET 144 Cb 0.73 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.58 2kne h MET 144 CO -0.41 1.31 -0.13 0.52 1.06 0.00 0.00 176.91 179.26 2kne h MET 145 N 0.44 0.20 -1.31 1.72 2.86 -0.63 -3.18 114.93 115.03 2kne h MET 145 Ca -0.11 -0.13 -0.23 0.00 -2.06 0.00 0.00 59.70 57.17 2kne h MET 145 Cb 1.61 0.02 -0.12 0.00 0.06 0.00 0.00 31.60 33.17 2kne h MET 145 CO 0.19 0.71 0.30 0.25 1.06 0.00 0.00 176.91 179.43 2kne n THR 146 N -4.63 2.25 -0.22 2.22 -2.24 0.59 -4.60 114.28 107.65 2kne n THR 146 Ca -0.08 -1.10 -0.02 0.00 -2.27 0.00 0.00 64.05 60.58 2kne n THR 146 Cb 0.37 -1.08 0.05 0.00 -2.10 0.00 0.00 70.33 67.56 2kne n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kne h ALA 147 N 1.50 0.24 -0.02 6.98 0.00 -1.52 -3.48 119.26 122.96 2kne h ALA 147 Ca 0.24 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2kne h ALA 147 Cb 1.33 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.76 2kne h ALA 147 CO 0.53 -0.53 0.00 1.63 0.00 0.00 0.00 179.25 180.88