#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 -4.91 -0.16 0.00 -0.08 -1.26 -4.44 116.55 105.70 2kne n ASP 2 Ca 0.00 0.24 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 2kne n ASP 2 Cb 0.00 -4.24 0.00 0.00 2.34 0.00 0.00 41.12 39.22 2kne n ASP 2 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 2kne n GLN 3 N -2.58 0.00 0.00 -0.67 7.27 -1.26 -5.09 117.38 115.05 2kne n GLN 3 Ca -0.19 0.14 0.00 0.00 0.07 0.00 0.00 57.00 57.02 2kne n GLN 3 Cb 0.62 -0.02 0.00 0.00 2.41 0.00 0.00 30.24 33.25 2kne n GLN 3 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2kne n LEU 4 N 0.00 0.00 -4.77 1.69 -0.00 -1.26 -5.14 117.00 107.51 2kne n LEU 4 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.63 2kne n LEU 4 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 2kne n LEU 4 CO 0.00 0.00 0.75 0.28 -0.00 0.00 0.00 177.39 178.42 2kne s THR 5 N 0.00 3.66 0.25 1.96 -1.32 -1.26 -4.91 115.64 114.02 2kne s THR 5 Ca 0.00 1.38 -0.03 0.00 -1.21 0.00 0.00 61.69 61.83 2kne s THR 5 Cb 0.00 -3.76 0.23 0.00 -1.51 0.00 0.00 72.50 67.46 2kne s THR 5 CO 0.00 0.11 1.73 1.05 -2.21 0.00 0.00 174.62 175.30 2kne h GLU 6 N 2.88 0.46 -0.98 7.08 9.09 -2.01 -1.13 114.58 129.97 2kne h GLU 6 Ca -0.48 -0.03 0.33 0.00 0.05 0.00 0.00 59.36 59.23 2kne h GLU 6 Cb 1.21 -0.10 -0.16 0.00 -1.65 0.00 0.00 28.75 28.05 2kne h GLU 6 CO 0.64 0.31 0.47 1.49 0.05 0.00 0.00 179.01 181.96 2kne h GLU 7 N 0.48 0.20 -0.34 1.06 4.81 -2.00 0.57 114.58 119.36 2kne h GLU 7 Ca 0.44 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.51 2kne h GLU 7 Cb 0.67 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2kne h GLU 7 CO -0.41 0.13 -0.37 1.96 -0.73 0.00 0.00 179.01 179.60 2kne h GLN 8 N 0.20 0.78 -0.55 1.92 4.20 -1.58 -1.29 115.11 118.79 2kne h GLN 8 Ca 0.72 -0.39 0.02 0.00 0.06 0.00 0.00 58.65 59.06 2kne h GLN 8 Cb 1.69 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.44 2kne h GLN 8 CO -0.68 1.02 0.34 0.82 -0.67 0.00 0.00 178.83 179.65 2kne h ILE 9 N 0.64 1.08 -0.36 2.54 2.04 0.05 -0.84 117.51 122.68 2kne h ILE 9 Ca 0.06 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 65.76 2kne h ILE 9 Cb 0.91 0.35 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 2kne h ILE 9 CO 0.08 0.12 -0.11 0.00 0.00 0.00 0.00 178.15 178.25 2kne h ALA 10 N 1.23 0.21 -0.37 1.87 0.00 -0.67 0.79 119.26 122.32 2kne h ALA 10 Ca 0.21 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2kne h ALA 10 Cb -0.01 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2kne h ALA 10 CO -0.08 -0.47 0.17 1.49 0.00 0.00 0.00 179.25 180.36 2kne h GLU 11 N -0.02 0.54 -0.79 0.00 4.57 -0.68 -2.98 114.58 115.23 2kne h GLU 11 Ca 0.18 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 2kne h GLU 11 Cb 0.29 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.75 2kne h GLU 11 CO -0.38 0.50 0.39 0.74 -1.18 0.00 0.00 179.01 179.07 2kne h PHE 12 N 0.46 1.13 -0.01 0.92 -1.00 -0.74 -3.02 116.94 114.68 2kne h PHE 12 Ca 0.13 -0.05 0.03 0.00 2.81 0.00 0.00 57.97 60.89 2kne h PHE 12 Cb 0.14 -0.35 -0.05 0.00 3.61 0.00 0.00 35.95 39.30 2kne h PHE 12 CO -0.01 0.82 -0.32 -0.22 -1.61 0.00 0.00 178.31 176.97 2kne h LYS 13 N 1.11 -0.45 -0.88 1.51 3.64 -0.70 -1.04 116.57 119.77 2kne h LYS 13 Ca 0.27 0.03 0.18 0.00 -1.27 0.00 0.00 60.65 59.86 2kne h LYS 13 Cb 0.11 0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 31.92 2kne h LYS 13 CO -0.04 -0.30 0.43 0.93 -2.27 0.00 0.00 179.45 178.21 2kne h GLU 14 N -0.46 0.52 -0.81 1.90 5.08 -1.48 0.67 114.58 120.01 2kne h GLU 14 Ca 0.06 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.51 2kne h GLU 14 Cb 0.55 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 2kne h GLU 14 CO -0.27 0.35 0.53 0.00 -1.00 0.00 0.00 179.01 178.61 2kne h ALA 15 N 1.63 1.84 -0.90 3.43 0.00 -1.11 -2.26 119.26 121.90 2kne h ALA 15 Ca 0.51 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.46 2kne h ALA 15 Cb 0.85 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 2kne h ALA 15 CO -0.43 -0.03 0.59 0.74 0.00 0.00 0.00 179.25 180.11 2kne h PHE 16 N 0.66 1.09 0.00 0.00 -1.00 -0.45 -1.46 116.94 115.78 2kne h PHE 16 Ca 0.39 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.19 2kne h PHE 16 Cb 0.59 -0.36 0.00 0.00 3.61 0.00 0.00 35.95 39.78 2kne h PHE 16 CO -0.00 0.63 0.00 0.66 -1.61 0.00 0.00 178.31 177.99 2kne h SER 17 N 1.13 0.00 -0.62 2.17 4.64 -1.46 -2.34 113.55 117.06 2kne h SER 17 Ca 0.36 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.60 2kne h SER 17 Cb 0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 2kne h SER 17 CO -0.11 0.00 0.08 -0.07 -0.87 0.00 0.00 176.83 175.86 2kne h LEU 18 N 0.00 1.00 0.00 5.97 4.07 -1.34 -3.29 115.31 121.72 2kne h LEU 18 Ca 0.00 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.69 2kne h LEU 18 Cb 0.21 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.69 2kne h LEU 18 CO 0.00 1.02 -1.17 2.22 -1.08 0.00 0.00 178.44 179.43 2kne n PHE 19 N -4.26 0.00 -2.21 1.13 1.16 -1.14 -4.86 117.46 107.29 2kne n PHE 19 Ca 0.03 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.27 2kne n PHE 19 Cb 0.30 -0.17 -0.04 0.00 -1.61 0.00 0.00 39.48 37.96 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 -3.04 5.57 0.01 5.98 1.01 -0.90 -4.82 116.67 120.48 2kne s ASP 20 Ca 0.00 -0.60 -0.24 0.00 0.71 0.00 0.00 52.55 52.42 2kne s ASP 20 Cb 0.10 -2.56 -0.18 0.00 1.01 0.00 0.00 42.92 41.30 2kne s ASP 20 CO 0.62 -2.30 1.38 0.50 0.21 0.00 0.00 175.17 175.57 2kne h LYS 21 N 11.64 0.06 -0.56 8.23 3.64 -1.89 -3.28 116.57 134.41 2kne h LYS 21 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 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 1.27 0.43 0.00 -0.40 -2.27 0.00 0.00 179.45 178.47 2kne n ASP 22 N -4.86 4.46 -3.97 4.20 5.75 -1.26 -4.97 116.55 115.90 2kne n ASP 22 Ca -0.08 -2.47 -0.29 0.00 -0.01 0.00 0.00 54.79 51.94 2kne n ASP 22 Cb 0.22 -0.53 -0.07 0.00 -1.03 0.00 0.00 41.12 39.70 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 0.84 -0.18 0.17 6.12 0.00 -1.24 -4.76 105.19 106.14 2kne n GLY 23 Ca 0.24 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 -2.11 0.69 0.00 1.61 5.75 -1.26 -4.90 116.55 116.32 2kne n ASP 24 Ca -0.13 -0.72 0.00 0.00 -0.01 0.00 0.00 54.79 53.93 2kne n ASP 24 Cb 0.49 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 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 1.29 0.88 3.05 6.12 0.00 -1.26 -5.03 105.19 110.25 2kne n GLY 25 Ca 0.14 0.00 -0.10 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 -2.90 0.35 -0.21 2.61 -4.23 -1.26 -4.76 115.64 105.24 2kne s THR 26 Ca 0.00 -1.30 -0.19 0.00 -1.18 0.00 0.00 61.69 59.02 2kne s THR 26 Cb 0.00 -0.83 -0.03 0.00 1.34 0.00 0.00 72.50 72.98 2kne s THR 26 CO 0.00 -0.62 0.55 -0.63 -0.54 0.00 0.00 174.62 173.37 2kne s ILE 27 N -2.27 5.08 0.33 2.99 1.09 -0.88 -4.93 121.20 122.61 2kne s ILE 27 Ca -0.05 1.00 0.09 0.00 -1.10 0.00 0.00 60.65 60.59 2kne s ILE 27 Cb -0.04 -3.87 -0.05 0.00 -1.06 0.00 0.00 42.46 37.45 2kne s ILE 27 CO -0.03 0.15 0.06 0.42 -0.10 0.00 0.00 174.94 175.44 2kne s THR 28 N 1.77 2.91 0.32 2.92 -4.23 -1.26 -2.79 115.64 115.27 2kne s THR 28 Ca 0.25 -1.85 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 2kne s THR 28 Cb -0.16 -2.88 0.28 0.00 1.34 0.00 0.00 72.50 71.09 2kne s THR 28 CO 0.10 -0.22 1.94 0.71 -0.54 0.00 0.00 174.62 176.61 2kne h THR 29 N 1.71 1.11 0.83 3.99 1.35 -1.92 -1.88 112.91 118.10 2kne h THR 29 Ca -0.43 -0.34 -0.04 0.00 -0.55 0.00 0.00 66.41 65.05 2kne h THR 29 Cb 1.25 0.03 0.01 0.00 -1.73 0.00 0.00 68.15 67.71 2kne h THR 29 CO 0.64 0.18 -0.40 0.50 -0.25 0.00 0.00 175.52 176.20 2kne h LYS 30 N 0.99 -1.07 0.00 4.72 3.64 -1.98 -2.35 116.57 120.52 2kne h LYS 30 Ca 0.34 0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.79 2kne h LYS 30 Cb 0.10 0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2kne h LYS 30 CO -0.11 -0.71 -0.03 1.05 -2.27 0.00 0.00 179.45 177.38 2kne h GLU 31 N -1.12 0.00 0.34 1.90 4.11 -1.90 -1.96 114.58 115.95 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 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2kne h GLU 31 CO 0.19 0.03 -0.16 1.25 0.07 0.00 0.00 179.01 180.38 2kne h LEU 32 N 0.00 -0.39 -0.94 3.06 5.85 -1.18 -2.91 115.31 118.80 2kne h LEU 32 Ca -0.00 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2kne h LEU 32 Cb 0.05 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 2kne h LEU 32 CO 0.00 -0.22 0.56 1.23 -0.34 0.00 0.00 178.44 179.67 2kne h GLY 33 N -0.53 1.37 0.87 3.75 0.00 -0.96 -2.54 103.07 105.04 2kne h GLY 33 Ca -0.05 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 2kne h GLY 33 CO 0.08 0.56 -0.22 -0.84 0.00 0.00 0.00 176.54 176.11 2kne h THR 34 N 1.30 0.53 -0.50 4.70 2.02 -1.32 -0.93 112.91 118.71 2kne h THR 34 Ca 0.34 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.57 2kne h THR 34 Cb -0.05 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 66.84 2kne h THR 34 CO -0.06 0.00 0.23 0.58 0.37 0.00 0.00 175.52 176.64 2kne h VAL 35 N -0.55 0.92 -0.99 3.16 2.07 -1.33 -1.57 116.25 117.96 2kne h VAL 35 Ca -0.03 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.36 2kne h VAL 35 Cb 0.46 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2kne h VAL 35 CO 0.03 0.08 0.65 -0.03 0.02 0.00 0.00 177.57 178.32 2kne h MET 36 N 0.46 1.25 -0.90 1.57 -1.53 -1.29 -1.56 114.93 112.92 2kne h MET 36 Ca 0.23 -0.08 0.13 0.00 -3.44 0.00 0.00 59.70 56.54 2kne h MET 36 Cb 0.17 -0.28 -0.09 0.00 -0.55 0.00 0.00 31.60 30.85 2kne h MET 36 CO -0.18 0.83 0.52 -0.09 0.14 0.00 0.00 176.91 178.13 2kne h ARG 37 N 1.29 0.76 0.00 0.39 2.43 -0.18 0.65 114.38 119.71 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 -0.06 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.32 2kne h ARG 37 CO -0.11 0.50 -0.03 0.66 -1.51 0.00 0.00 179.97 179.49 2kne h SER 38 N 0.78 0.00 0.25 -3.80 4.64 -0.77 0.43 113.55 115.07 2kne h SER 38 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2kne h SER 38 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2kne h SER 38 CO -0.31 0.03 0.00 -0.11 -0.87 0.00 0.00 176.83 175.57 2kne n LEU 39 N -3.27 0.00 0.00 5.97 7.94 0.23 -4.84 117.00 123.03 2kne n LEU 39 Ca -0.02 0.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.06 2kne n LEU 39 Cb 0.17 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 43.94 2kne n LEU 39 CO 0.25 -0.05 0.00 0.61 -1.11 0.00 0.00 177.39 177.08 2kne n GLY 40 N 0.45 0.68 3.52 -3.96 0.00 0.14 -5.08 105.19 100.94 2kne n GLY 40 Ca 0.12 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.24 1.84 -0.68 1.61 -1.52 -1.22 -5.08 119.66 113.38 2kne s GLN 41 Ca 0.00 -1.60 0.05 0.00 -1.95 0.00 0.00 55.36 51.86 2kne s GLN 41 Cb 0.00 -1.91 0.21 0.00 -0.22 0.00 0.00 33.01 31.09 2kne s GLN 41 CO 0.00 0.36 0.64 0.27 -0.25 0.00 0.00 175.29 176.31 2kne n ASN 42 N -0.50 3.47 -4.77 5.90 6.94 -1.26 -4.24 115.26 120.80 2kne n ASN 42 Ca -0.07 -3.34 -0.37 0.00 -0.02 0.00 0.00 54.58 50.78 2kne n ASN 42 Cb 0.59 -0.72 -0.01 0.00 -2.36 0.00 0.00 39.78 37.27 2kne n ASN 42 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2kne s PRO 43 N -2.01 3.83 0.73 -0.53 0.04 -1.26 -5.03 135.00 130.77 2kne s PRO 43 Ca 0.33 1.79 -0.11 0.00 0.04 0.00 0.00 61.00 63.05 2kne s PRO 43 Cb 0.06 -2.48 0.03 0.00 0.04 0.00 0.00 34.50 32.15 2kne s PRO 43 CO -0.09 -0.49 1.11 -0.08 0.04 0.00 0.00 177.00 177.49 2kne s THR 44 N -1.51 3.14 0.18 1.26 -1.32 -1.26 -4.95 115.64 111.17 2kne s THR 44 Ca 0.62 0.36 -0.13 0.00 -1.21 0.00 0.00 61.69 61.32 2kne s THR 44 Cb -0.29 -3.36 0.07 0.00 -1.51 0.00 0.00 72.50 67.41 2kne s THR 44 CO 0.36 -0.48 1.82 1.05 -2.21 0.00 0.00 174.62 175.16 2kne h GLU 45 N -0.74 0.62 -0.15 7.08 4.11 -2.02 -1.61 114.58 121.86 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 1.27 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2kne h GLU 45 CO 0.64 0.41 0.21 0.00 0.07 0.00 0.00 179.01 180.34 2kne h ALA 46 N 1.23 1.68 -0.63 1.06 0.00 -2.01 -0.81 119.26 119.77 2kne h ALA 46 Ca 0.21 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 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 -0.28 0.06 1.49 0.00 0.00 0.00 179.25 180.43 2kne h GLU 47 N 0.00 1.08 -0.99 0.00 4.57 -1.66 -1.80 114.58 115.79 2kne h GLU 47 Ca 0.07 -0.31 0.11 0.00 -1.18 0.00 0.00 59.36 58.05 2kne h GLU 47 Cb 0.48 -0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 28.88 2kne h GLU 47 CO -0.00 1.02 0.63 -0.07 -1.18 0.00 0.00 179.01 179.41 2kne h LEU 48 N 0.99 0.93 0.16 1.64 4.07 -1.21 -1.96 115.31 119.93 2kne h LEU 48 Ca 0.19 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.18 2kne h LEU 48 Cb 0.50 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.09 2kne h LEU 48 CO 0.02 0.52 -0.08 -0.61 -1.08 0.00 0.00 178.44 177.21 2kne h GLN 49 N 1.01 -0.21 -0.37 1.13 4.15 -1.52 -3.05 115.11 116.25 2kne h GLN 49 Ca 0.48 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.97 2kne h GLN 49 Cb 0.43 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.11 2kne h GLN 49 CO -0.24 0.20 0.04 -0.44 -1.93 0.00 0.00 178.83 176.46 2kne h ASP 50 N -0.91 -0.07 0.15 -0.69 3.32 -1.21 -1.89 116.42 115.12 2kne h ASP 50 Ca -0.02 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2kne h ASP 50 Cb 0.50 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2kne h ASP 50 CO 0.04 0.00 -0.07 0.24 -1.72 0.00 0.00 179.24 177.72 2kne h MET 51 N 0.15 -0.19 -0.68 3.56 2.86 -1.50 -3.05 114.93 116.07 2kne h MET 51 Ca 0.18 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.90 2kne h MET 51 Cb 0.23 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.87 2kne h MET 51 CO -0.26 0.10 0.36 0.82 1.06 0.00 0.00 176.91 178.99 2kne h ILE 52 N -0.49 0.92 -0.70 -1.22 5.03 -1.49 -1.67 117.51 117.90 2kne h ILE 52 Ca -0.02 -0.22 0.10 0.00 -0.12 0.00 0.00 64.86 64.59 2kne h ILE 52 Cb 0.38 0.22 -0.05 0.00 -3.03 0.00 0.00 36.82 34.34 2kne h ILE 52 CO 0.03 0.12 0.46 0.78 -0.68 0.00 0.00 178.15 178.86 2kne h ASN 53 N 0.65 0.52 -0.51 1.72 2.35 -1.32 0.69 115.58 119.68 2kne h ASN 53 Ca 0.31 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.97 2kne h ASN 53 Cb 0.25 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 2kne h ASN 53 CO -0.21 0.31 -0.11 -0.08 -1.65 0.00 0.00 177.43 175.69 2kne h GLU 54 N 0.58 0.97 0.00 0.81 4.57 -1.19 -3.15 114.58 117.17 2kne h GLU 54 Ca 0.32 -0.37 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 2kne h GLU 54 Cb 0.48 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 2kne h GLU 54 CO -0.11 1.04 -0.72 0.28 -1.18 0.00 0.00 179.01 178.32 2kne h VAL 55 N 0.83 0.16 -0.94 0.32 2.07 -1.34 -3.44 116.25 113.92 2kne h VAL 55 Ca 0.13 -1.27 -0.57 0.00 0.82 0.00 0.00 66.70 65.81 2kne h VAL 55 Cb 0.67 1.82 -0.08 0.00 -1.52 0.00 0.00 31.29 32.17 2kne h VAL 55 CO 0.05 0.09 1.61 -0.62 0.02 0.00 0.00 177.57 178.72 2kne s ASP 56 N -5.78 6.36 0.30 0.57 2.15 0.19 -4.84 116.67 115.62 2kne s ASP 56 Ca 0.02 -1.70 -0.01 0.00 0.43 0.00 0.00 52.55 51.29 2kne s ASP 56 Cb 0.08 -2.57 0.47 0.00 -0.30 0.00 0.00 42.92 40.60 2kne s ASP 56 CO 0.75 -1.64 1.92 0.00 -0.17 0.00 0.00 175.17 176.04 2kne h ALA 57 N 9.25 1.37 -0.01 3.66 0.00 -1.85 -2.69 119.26 128.99 2kne h ALA 57 Ca 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2kne h ALA 57 Cb 0.96 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2kne h ALA 57 CO 1.40 0.51 -0.08 -0.40 0.00 0.00 0.00 179.25 180.68 2kne n ASP 58 N -4.37 0.86 -1.78 0.00 5.75 -1.26 -4.93 116.55 110.82 2kne n ASP 58 Ca 0.07 -1.02 -0.20 0.00 -0.01 0.00 0.00 54.79 53.63 2kne n ASP 58 Cb 0.10 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.14 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 1.21 1.09 0.44 6.12 0.00 -1.02 -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 -1.41 1.32 0.00 1.61 6.94 -1.26 -4.91 115.26 117.55 2kne n ASN 60 Ca -0.21 -1.61 0.00 0.00 -0.02 0.00 0.00 54.58 52.74 2kne n ASN 60 Cb 0.66 -0.07 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 1.08 0.84 3.45 4.83 0.00 -1.26 -5.01 105.19 109.12 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 0.01 -0.15 2.61 -4.23 -1.26 -4.75 115.64 104.59 2kne s THR 62 Ca 0.00 -1.53 -0.01 0.00 -1.18 0.00 0.00 61.69 58.96 2kne s THR 62 Cb 0.00 -2.19 -0.02 0.00 1.34 0.00 0.00 72.50 71.63 2kne s THR 62 CO 0.00 -0.06 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.29 2kne s ILE 63 N -4.04 3.22 0.28 2.99 1.01 -1.12 -4.80 121.20 118.74 2kne s ILE 63 Ca 0.25 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.35 2kne s ILE 63 Cb 0.02 -2.38 0.04 0.00 0.01 0.00 0.00 42.46 40.15 2kne s ILE 63 CO 0.08 0.51 0.32 -0.90 0.00 0.00 0.00 174.94 174.95 2kne n ASP 64 N 3.69 1.38 0.30 3.58 5.75 -1.26 -2.07 116.55 127.93 2kne n ASP 64 Ca -0.18 -1.84 -0.17 0.00 -0.01 0.00 0.00 54.79 52.59 2kne n ASP 64 Cb 0.52 -0.14 -0.09 0.00 -1.03 0.00 0.00 41.12 40.39 2kne n ASP 64 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2kne h PHE 65 N 0.26 -1.13 -0.55 2.11 3.04 -1.99 -1.77 116.94 116.90 2kne h PHE 65 Ca -0.15 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 61.91 2kne h PHE 65 Cb 0.63 0.42 -0.10 0.00 2.56 0.00 0.00 35.95 39.46 2kne h PHE 65 CO 0.00 -0.60 -0.09 -1.00 -2.02 0.00 0.00 178.31 174.61 2kne h PRO 66 N -0.93 0.04 0.00 6.41 0.13 -2.01 0.75 132.00 136.40 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 0.79 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2kne h PRO 66 CO -0.00 0.03 0.00 0.93 -0.23 0.00 0.00 178.00 178.72 2kne h GLU 67 N 0.04 0.00 0.21 0.86 5.08 -1.93 -2.82 114.58 116.02 2kne h GLU 67 Ca 0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 2kne h GLU 67 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2kne h GLU 67 CO -0.53 0.00 -0.10 0.35 -1.00 0.00 0.00 179.01 177.73 2kne h PHE 68 N 0.00 -0.26 -0.66 4.33 3.57 0.14 -3.35 116.94 120.71 2kne h PHE 68 Ca 0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.55 2kne h PHE 68 Cb 0.09 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 2kne h PHE 68 CO 0.00 -0.13 0.36 -0.07 -2.23 0.00 0.00 178.31 176.24 2kne h LEU 69 N -1.07 0.53 -0.76 0.59 3.38 -1.11 -2.42 115.31 114.45 2kne h LEU 69 Ca -0.03 0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.13 2kne h LEU 69 Cb 0.25 -0.07 -0.14 0.00 0.09 0.00 0.00 40.66 40.79 2kne h LEU 69 CO 0.05 0.34 -0.18 0.74 0.09 0.00 0.00 178.44 179.47 2kne h THR 70 N 0.66 0.25 -0.25 0.22 2.02 -1.67 -0.63 112.91 113.51 2kne h THR 70 Ca 0.30 -0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.43 2kne h THR 70 Cb 0.20 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 2kne h THR 70 CO -0.19 0.00 -0.03 0.24 0.37 0.00 0.00 175.52 175.91 2kne h MET 71 N 0.00 0.47 -0.84 6.66 2.86 -1.57 -3.11 114.93 119.39 2kne h MET 71 Ca 0.36 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 2kne h MET 71 Cb 0.56 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.14 2kne h MET 71 CO -0.78 0.67 0.50 0.52 1.06 0.00 0.00 176.91 178.88 2kne h MET 72 N 0.22 1.16 -0.29 1.72 2.07 -1.00 0.21 114.93 119.02 2kne h MET 72 Ca 0.07 -0.11 -0.06 0.00 -2.07 0.00 0.00 59.70 57.52 2kne h MET 72 Cb 0.48 -0.24 -0.02 0.00 -1.87 0.00 0.00 31.60 29.96 2kne h MET 72 CO 0.02 0.82 -0.08 0.00 1.07 0.00 0.00 176.91 178.74 2kne h ALA 73 N 1.27 1.32 0.00 6.32 0.00 -1.19 -2.76 119.26 124.21 2kne h ALA 73 Ca 0.30 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kne h ALA 73 Cb -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2kne h ALA 73 CO -0.05 0.46 -0.92 0.54 0.00 0.00 0.00 179.25 179.28 2kne n ARG 74 N -4.24 0.23 -1.77 0.00 1.74 -1.04 -4.60 116.66 106.99 2kne n ARG 74 Ca 0.01 0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.67 2kne n ARG 74 Cb 0.29 -1.58 -0.00 0.00 -1.02 0.00 0.00 32.46 30.15 2kne n ARG 74 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2kne n LYS 75 N -1.88 2.93 -0.61 5.56 4.76 0.71 -4.51 118.16 125.11 2kne n LYS 75 Ca 0.03 -2.67 0.08 0.00 -2.87 0.00 0.00 58.31 52.88 2kne n LYS 75 Cb 0.42 -3.25 0.32 0.00 -1.84 0.00 0.00 35.03 30.67 2kne n LYS 75 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2kne n MET 76 N 5.88 3.73 -1.61 1.97 2.81 -1.26 -4.95 117.12 123.69 2kne n MET 76 Ca 0.52 -2.92 -0.50 0.00 -1.81 0.00 0.00 57.70 52.99 2kne n MET 76 Cb 0.38 -1.97 -0.05 0.00 -0.71 0.00 0.00 33.22 30.88 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 0.15 1.39 -3.10 0.03 4.81 -1.26 -4.91 118.16 115.26 2kne n LYS 77 Ca 0.24 0.50 -0.43 0.00 -0.87 0.00 0.00 58.31 57.74 2kne n LYS 77 Cb 0.98 -2.13 -0.07 0.00 0.02 0.00 0.00 35.03 33.83 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 0.42 6.31 -0.36 3.14 -4.77 -1.26 -5.02 116.67 115.12 2kne s ASP 78 Ca 0.80 -0.44 -0.15 0.00 -3.30 0.00 0.00 52.55 49.45 2kne s ASP 78 Cb -0.86 -2.32 -0.01 0.00 -1.09 0.00 0.00 42.92 38.64 2kne s ASP 78 CO 0.47 -0.82 0.35 0.42 0.70 0.00 0.00 175.17 176.28 2kne s THR 79 N 2.84 5.18 -0.07 2.11 -4.23 -1.26 -5.02 115.64 115.19 2kne s THR 79 Ca 0.22 -0.11 -0.29 0.00 -1.18 0.00 0.00 61.69 60.33 2kne s THR 79 Cb -0.15 -3.84 -0.06 0.00 1.34 0.00 0.00 72.50 69.79 2kne s THR 79 CO 0.18 -0.14 1.89 -0.62 -0.54 0.00 0.00 174.62 175.39 2kne s ASP 80 N 1.74 6.31 0.57 3.99 -1.08 -1.26 -4.77 116.67 122.17 2kne s ASP 80 Ca 0.10 2.27 0.01 0.00 -0.52 0.00 0.00 52.55 54.41 2kne s ASP 80 Cb -0.17 -2.53 0.02 0.00 -1.46 0.00 0.00 42.92 38.78 2kne s ASP 80 CO 0.12 -1.22 0.88 -1.20 0.52 0.00 0.00 175.17 174.26 2kne n SER 81 N 8.34 0.00 0.03 -0.34 7.64 -1.26 0.12 113.62 128.15 2kne n SER 81 Ca 0.21 0.44 -0.06 0.00 1.01 0.00 0.00 58.87 60.47 2kne n SER 81 Cb 0.43 -0.01 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 -0.33 -3.01 0.00 0.00 175.04 171.70 2kne h GLU 82 N 0.00 0.46 -1.02 1.43 4.39 -2.01 -3.15 114.58 114.68 2kne h GLU 82 Ca 0.01 -0.24 0.25 0.00 0.34 0.00 0.00 59.36 59.72 2kne h GLU 82 Cb 1.76 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 30.32 2kne h GLU 82 CO -0.00 0.81 0.64 1.49 -1.16 0.00 0.00 179.01 180.79 2kne h GLU 83 N 0.37 0.46 0.00 2.33 4.81 0.61 0.21 114.58 123.37 2kne h GLU 83 Ca 0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kne h GLU 83 Cb 0.92 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.20 2kne h GLU 83 CO 0.08 0.31 -0.64 -0.85 -0.73 0.00 0.00 179.01 177.18 2kne n GLU 84 N -4.69 0.24 0.00 1.92 0.28 -1.19 -3.82 120.64 113.38 2kne n GLU 84 Ca 0.25 0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.31 2kne n GLU 84 Cb 0.80 -1.64 0.00 0.00 1.43 0.00 0.00 31.44 32.03 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 -1.98 0.00 -0.31 3.84 2.08 0.73 -1.43 119.36 122.29 2kne n ILE 85 Ca 0.04 1.15 -0.04 0.00 0.56 0.00 0.00 62.75 64.45 2kne n ILE 85 Cb 0.42 -2.09 0.10 0.00 -0.75 0.00 0.00 39.64 37.32 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 1.21 -0.70 0.38 0.11 -1.78 -2.94 114.38 110.66 2kne h ARG 86 Ca 0.00 -0.16 -0.06 0.00 0.10 0.00 0.00 59.98 59.86 2kne h ARG 86 Cb 0.00 -0.23 -0.03 0.00 1.11 0.00 0.00 29.97 30.82 2kne h ARG 86 CO 0.00 0.91 0.22 0.93 0.10 0.00 0.00 179.97 182.13 2kne h GLU 87 N 1.20 1.09 0.00 0.08 5.08 -1.68 -2.02 114.58 118.33 2kne h GLU 87 Ca 0.30 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2kne h GLU 87 Cb 0.08 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2kne h GLU 87 CO -0.04 0.94 0.00 0.00 -1.00 0.00 0.00 179.01 178.91 2kne h ALA 88 N 1.10 1.00 0.01 3.43 0.00 -1.06 -2.56 119.26 121.19 2kne h ALA 88 Ca 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2kne h ALA 88 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2kne h ALA 88 CO -0.01 0.00 -0.00 0.35 0.00 0.00 0.00 179.25 179.59 2kne h PHE 89 N 0.00 -0.01 -0.95 0.00 3.57 -1.33 -3.04 116.94 115.18 2kne h PHE 89 Ca 0.00 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 2kne h PHE 89 Cb 0.10 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.76 2kne h PHE 89 CO 0.00 0.58 0.59 0.00 -2.23 0.00 0.00 178.31 177.24 2kne h ARG 90 N -0.61 0.92 -0.40 1.11 3.08 -1.47 0.26 114.38 117.28 2kne h ARG 90 Ca -0.00 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 2kne h ARG 90 Cb 0.59 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 2kne h ARG 90 CO 0.00 0.61 0.11 0.28 -1.07 0.00 0.00 179.97 179.91 2kne h VAL 91 N 0.95 1.22 -0.37 2.04 2.07 -1.61 -3.04 116.25 117.50 2kne h VAL 91 Ca 0.47 -0.73 -0.15 0.00 0.82 0.00 0.00 66.70 67.10 2kne h VAL 91 Cb 0.44 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2kne h VAL 91 CO -0.26 0.26 -0.36 -0.26 0.02 0.00 0.00 177.57 176.97 2kne h PHE 92 N 0.49 1.04 -2.26 1.57 -1.00 -1.20 -3.31 116.94 112.27 2kne h PHE 92 Ca 0.13 -0.30 -0.72 0.00 2.81 0.00 0.00 57.97 59.88 2kne h PHE 92 Cb 0.28 -0.22 -0.18 0.00 3.61 0.00 0.00 35.95 39.43 2kne h PHE 92 CO 0.01 1.10 1.19 0.34 -1.61 0.00 0.00 178.31 179.34 2kne s ASP 93 N -6.83 6.94 0.15 2.17 -1.08 0.84 -4.67 116.67 114.20 2kne s ASP 93 Ca -0.10 -2.72 -0.15 0.00 -0.52 0.00 0.00 52.55 49.05 2kne s ASP 93 Cb 0.12 -2.40 0.02 0.00 -1.46 0.00 0.00 42.92 39.20 2kne s ASP 93 CO 0.87 -0.83 1.76 0.11 0.52 0.00 0.00 175.17 177.59 2kne h LYS 94 N 7.64 0.63 -0.18 4.34 1.57 -1.66 -2.77 116.57 126.13 2kne h LYS 94 Ca 0.27 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2kne h LYS 94 Cb 0.92 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2kne h LYS 94 CO 1.20 0.50 0.00 -0.40 -0.57 0.00 0.00 179.45 180.18 2kne n ASP 95 N -4.70 1.94 -3.79 0.86 5.68 -1.26 -4.94 116.55 110.34 2kne n ASP 95 Ca 0.01 -1.74 -0.23 0.00 -0.50 0.00 0.00 54.79 52.33 2kne n ASP 95 Cb 0.08 -0.11 0.01 0.00 -1.14 0.00 0.00 41.12 39.96 2kne n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kne n GLY 96 N 1.19 -0.28 0.75 6.12 0.00 -1.05 -4.85 105.19 107.07 2kne n GLY 96 Ca 0.17 0.14 0.10 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 -3.02 2.22 0.00 1.61 6.94 -1.26 -4.90 115.26 116.85 2kne n ASN 97 Ca -0.30 -1.86 0.00 0.00 -0.02 0.00 0.00 54.58 52.40 2kne n ASN 97 Cb 0.68 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 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 1.22 0.87 3.03 4.83 0.00 -1.26 -5.01 105.19 108.88 2kne n GLY 98 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.46 0.35 -0.33 1.61 1.51 -1.26 -4.54 117.35 111.22 2kne s TYR 99 Ca 0.00 -0.72 -0.15 0.00 -1.01 0.00 0.00 57.07 55.18 2kne s TYR 99 Cb 0.00 -0.26 -0.01 0.00 -0.11 0.00 0.00 41.96 41.58 2kne s TYR 99 CO 0.00 -0.28 0.37 0.42 -1.11 0.00 0.00 175.55 174.95 2kne s ILE 100 N -2.48 5.16 0.33 2.71 1.01 -0.74 -4.69 121.20 122.50 2kne s ILE 100 Ca -0.06 0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.65 2kne s ILE 100 Cb -0.02 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 2kne s ILE 100 CO -0.05 -0.07 0.59 -0.94 0.00 0.00 0.00 174.94 174.48 2kne s SER 101 N 1.73 6.41 0.15 3.58 1.04 -1.26 -2.55 113.70 122.79 2kne s SER 101 Ca 0.12 0.72 -0.17 0.00 0.48 0.00 0.00 55.95 57.10 2kne s SER 101 Cb -0.16 -2.15 0.03 0.00 0.10 0.00 0.00 66.02 63.84 2kne s SER 101 CO 0.12 -0.27 1.75 0.00 0.98 0.00 0.00 173.24 175.82 2kne h ALA 102 N 1.34 0.35 -0.97 5.32 0.00 -1.98 -1.72 119.26 121.61 2kne h ALA 102 Ca -0.48 0.04 0.17 0.00 0.00 0.00 0.00 54.91 54.64 2kne h ALA 102 Cb 1.20 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 2kne h ALA 102 CO 0.65 -0.30 0.57 0.00 0.00 0.00 0.00 179.25 180.18 2kne h ALA 103 N 1.20 1.56 -0.55 0.00 0.00 -2.00 0.85 119.26 120.32 2kne h ALA 103 Ca 0.14 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2kne h ALA 103 Cb 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2kne h ALA 103 CO -0.14 -0.03 0.03 0.93 0.00 0.00 0.00 179.25 180.04 2kne h GLU 104 N 0.76 0.96 -0.30 0.00 5.08 -1.68 -3.12 114.58 116.27 2kne h GLU 104 Ca 0.55 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 2kne h GLU 104 Cb 0.80 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2kne h GLU 104 CO -0.37 0.95 0.12 1.25 -1.00 0.00 0.00 179.01 179.96 2kne h LEU 105 N 0.84 0.41 -0.91 1.33 5.85 -0.06 -3.05 115.31 119.73 2kne h LEU 105 Ca 0.16 -0.17 0.26 0.00 0.84 0.00 0.00 57.88 58.97 2kne h LEU 105 Cb 0.50 -0.11 -0.15 0.00 0.37 0.00 0.00 40.66 41.27 2kne h LEU 105 CO 0.02 0.47 0.25 -0.09 -0.34 0.00 0.00 178.44 178.74 2kne h ARG 106 N 0.33 0.17 0.00 1.25 2.43 -1.07 0.92 114.38 118.41 2kne h ARG 106 Ca 0.10 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2kne h ARG 106 Cb 0.18 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2kne h ARG 106 CO -0.01 0.11 -0.14 1.25 -1.51 0.00 0.00 179.97 179.67 2kne h HIS 107 N 0.17 0.00 -0.84 2.20 2.76 -1.58 -2.78 115.15 115.08 2kne h HIS 107 Ca 0.59 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.80 2kne h HIS 107 Cb 1.24 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.14 2kne h HIS 107 CO -0.27 0.14 0.53 0.28 -1.30 0.00 0.00 177.93 177.32 2kne h VAL 108 N 0.00 1.09 -0.64 5.26 2.07 0.82 -2.58 116.25 122.26 2kne h VAL 108 Ca -0.00 -0.34 0.12 0.00 0.82 0.00 0.00 66.70 67.30 2kne h VAL 108 Cb 0.27 -0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.95 2kne h VAL 108 CO 0.02 0.18 0.17 0.24 0.02 0.00 0.00 177.57 178.20 2kne h MET 109 N 1.00 0.29 -0.89 1.57 2.07 -1.49 -1.32 114.93 116.16 2kne h MET 109 Ca 0.35 -0.02 0.05 0.00 -2.07 0.00 0.00 59.70 58.02 2kne h MET 109 Cb 0.08 -0.06 -0.06 0.00 -1.87 0.00 0.00 31.60 29.69 2kne h MET 109 CO -0.14 0.19 0.56 1.15 1.07 0.00 0.00 176.91 179.74 2kne h THR 110 N 0.30 1.08 -0.61 2.22 2.02 -1.60 0.32 112.91 116.64 2kne h THR 110 Ca 0.34 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 2kne h THR 110 Cb 0.52 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 2kne h THR 110 CO -0.41 0.19 0.07 0.78 0.37 0.00 0.00 175.52 176.52 2kne h ASN 111 N 1.05 1.00 1.28 4.18 2.35 -1.21 -2.80 115.58 121.42 2kne h ASN 111 Ca 0.38 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2kne h ASN 111 Cb 0.11 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.22 2kne h ASN 111 CO -0.15 1.02 -0.12 0.18 -1.65 0.00 0.00 177.43 176.70 2kne n LEU 112 N -4.26 0.69 -0.47 1.61 4.77 -0.74 -4.94 117.00 113.65 2kne n LEU 112 Ca 0.03 0.49 -0.04 0.00 -0.03 0.00 0.00 56.01 56.46 2kne n LEU 112 Cb 0.30 -0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2kne n LEU 112 CO 0.43 -0.13 -0.05 0.61 -1.33 0.00 0.00 177.39 176.92 2kne n GLY 113 N 1.34 0.21 0.14 -0.72 0.00 0.10 -4.95 105.19 101.32 2kne n GLY 113 Ca 0.05 -0.72 0.07 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 0.00 -6.73 1.61 4.39 -1.62 -3.48 114.58 108.75 2kne h GLU 114 Ca -0.10 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.05 2kne h GLU 114 Cb 1.06 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.72 2kne h GLU 114 CO 0.12 0.18 -0.99 1.63 -1.16 0.00 0.00 179.01 178.78 2kne n LYS 115 N -2.94 -0.55 -2.80 2.33 5.02 -1.26 -4.90 118.16 113.06 2kne n LYS 115 Ca -0.01 0.21 -0.34 0.00 -2.02 0.00 0.00 58.31 56.15 2kne n LYS 115 Cb 0.66 -2.96 -0.07 0.00 -0.02 0.00 0.00 35.03 32.64 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 -7.08 4.02 0.84 -0.35 1.43 -1.26 -5.08 118.68 111.20 2kne s LEU 116 Ca 0.47 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 55.20 2kne s LEU 116 Cb -0.23 -4.43 0.13 0.00 0.03 0.00 0.00 46.19 41.70 2kne s LEU 116 CO 0.94 -0.32 1.18 0.42 0.23 0.00 0.00 176.35 178.80 2kne s THR 117 N -2.05 2.08 0.18 5.49 -4.23 -1.26 -4.87 115.64 110.98 2kne s THR 117 Ca 0.60 -0.15 -0.13 0.00 -1.18 0.00 0.00 61.69 60.83 2kne s THR 117 Cb -0.11 -2.93 0.08 0.00 1.34 0.00 0.00 72.50 70.88 2kne s THR 117 CO 0.16 0.00 1.81 0.44 -0.54 0.00 0.00 174.62 176.48 2kne h ASP 118 N -1.13 0.47 -0.11 3.99 3.32 -1.99 -1.49 116.42 119.48 2kne h ASP 118 Ca -0.43 0.01 0.02 0.00 0.02 0.00 0.00 57.03 56.65 2kne h ASP 118 Cb 1.28 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 2kne h ASP 118 CO 0.49 0.33 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.99 2kne h GLU 119 N 0.60 0.02 -0.07 3.56 3.07 -2.00 -1.92 114.58 117.85 2kne h GLU 119 Ca 0.23 -0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.00 2kne h GLU 119 Cb 0.07 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 2kne h GLU 119 CO -0.12 0.01 -0.33 0.93 -1.40 0.00 0.00 179.01 178.10 2kne h GLU 120 N 0.02 0.13 -0.60 2.33 5.08 -1.87 -1.36 114.58 118.31 2kne h GLU 120 Ca 0.05 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2kne h GLU 120 Cb 0.07 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2kne h GLU 120 CO -0.10 0.45 0.18 0.28 -1.00 0.00 0.00 179.01 178.83 2kne h VAL 121 N 0.11 1.24 -0.56 3.13 2.07 -0.92 -2.35 116.25 118.98 2kne h VAL 121 Ca 0.01 -0.84 -0.10 0.00 0.82 0.00 0.00 66.70 66.59 2kne h VAL 121 Cb 0.65 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2kne h VAL 121 CO 0.05 0.32 -0.04 0.44 0.02 0.00 0.00 177.57 178.36 2kne h ASP 122 N 0.86 0.97 0.08 0.57 3.32 -0.99 -3.01 116.42 118.23 2kne h ASP 122 Ca 0.19 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 2kne h ASP 122 Cb 0.30 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 2kne h ASP 122 CO -0.00 1.05 -0.06 -0.33 -1.72 0.00 0.00 179.24 178.17 2kne h GLU 123 N 0.90 -0.14 -0.60 3.56 5.08 -0.84 -1.97 114.58 120.57 2kne h GLU 123 Ca 0.16 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.60 2kne h GLU 123 Cb 0.57 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 2kne h GLU 123 CO 0.03 -0.10 0.29 0.52 -1.00 0.00 0.00 179.01 178.76 2kne h MET 124 N -0.15 0.52 -0.62 2.33 2.86 -1.45 -1.98 114.93 116.44 2kne h MET 124 Ca -0.00 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2kne h MET 124 Cb 0.13 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 2kne h MET 124 CO -0.00 0.34 0.41 0.82 1.06 0.00 0.00 176.91 179.54 2kne h ILE 125 N 0.54 1.16 -0.61 -1.22 2.04 -1.36 -2.32 117.51 115.72 2kne h ILE 125 Ca 0.28 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2kne h ILE 125 Cb 0.25 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 2kne h ILE 125 CO -0.22 0.15 0.31 0.03 0.00 0.00 0.00 178.15 178.42 2kne h ARG 126 N 0.84 0.86 -0.99 2.37 3.08 -0.66 -0.15 114.38 119.72 2kne h ARG 126 Ca 0.23 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 60.19 2kne h ARG 126 Cb -0.10 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 29.73 2kne h ARG 126 CO -0.05 0.65 0.65 0.93 -1.07 0.00 0.00 179.97 181.09 2kne h GLU 127 N 0.86 1.28 0.00 0.04 5.08 -0.82 -3.02 114.58 118.00 2kne h GLU 127 Ca 0.21 -0.08 -0.23 0.00 -1.00 0.00 0.00 59.36 58.27 2kne h GLU 127 Cb 0.07 -0.29 -0.04 0.00 0.50 0.00 0.00 28.75 28.99 2kne h GLU 127 CO -0.03 0.84 -1.52 0.00 -1.00 0.00 0.00 179.01 177.31 2kne h ALA 128 N 1.38 0.70 -0.66 3.43 0.00 -1.35 -3.44 119.26 119.32 2kne h ALA 128 Ca 0.37 -1.14 -0.27 0.00 0.00 0.00 0.00 54.91 53.87 2kne h ALA 128 Cb -0.10 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2kne h ALA 128 CO -0.09 1.25 0.69 0.34 0.00 0.00 0.00 179.25 181.43 2kne s ASP 129 N -5.98 5.02 0.31 0.00 2.15 -0.10 -4.74 116.67 113.33 2kne s ASP 129 Ca -0.03 -0.68 0.26 0.00 0.43 0.00 0.00 52.55 52.53 2kne s ASP 129 Cb 0.08 -2.56 1.02 0.00 -0.30 0.00 0.00 42.92 41.16 2kne s ASP 129 CO 0.82 -2.88 1.77 0.40 -0.17 0.00 0.00 175.17 175.11 2kne h ILE 130 N 7.23 0.00 -3.71 4.11 1.08 -1.86 -3.43 117.51 120.93 2kne h ILE 130 Ca 0.10 -0.33 -0.19 0.00 -0.39 0.00 0.00 64.86 64.04 2kne h ILE 130 Cb 1.00 1.15 -0.25 0.00 -3.07 0.00 0.00 36.82 35.66 2kne h ILE 130 CO 1.19 0.00 -0.65 1.51 -0.69 0.00 0.00 178.15 179.51 2kne s ASP 131 N -4.61 0.05 -0.14 1.72 -4.77 -1.26 -5.05 116.67 102.61 2kne s ASP 131 Ca 0.04 -0.12 -0.04 0.00 -3.30 0.00 0.00 52.55 49.13 2kne s ASP 131 Cb 0.09 0.12 -0.14 0.00 -1.09 0.00 0.00 42.92 41.90 2kne s ASP 131 CO 0.45 -0.15 2.25 0.61 0.70 0.00 0.00 175.17 179.03 2kne n GLY 132 N 2.39 2.28 0.02 2.12 0.00 -1.26 -4.14 105.19 106.60 2kne n GLY 132 Ca -0.17 -0.71 0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 2.93 0.59 0.00 1.61 5.75 -1.26 -4.95 116.55 121.22 2kne n ASP 133 Ca 0.27 -0.16 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 2kne n ASP 133 Cb 0.46 0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.91 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 1.43 0.78 3.13 6.12 0.00 -1.26 -5.00 105.19 110.39 2kne n GLY 134 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.18 0.73 -0.30 1.61 -0.21 -1.26 -4.74 119.66 115.31 2kne s GLN 135 Ca 0.00 -1.00 -0.11 0.00 0.02 0.00 0.00 55.36 54.26 2kne s GLN 135 Cb 0.00 -0.45 -0.04 0.00 1.00 0.00 0.00 33.01 33.52 2kne s GLN 135 CO 0.00 0.07 0.20 0.08 -2.12 0.00 0.00 175.29 173.52 2kne s VAL 136 N -2.02 5.23 0.81 1.09 1.01 -1.06 -4.92 120.40 120.54 2kne s VAL 136 Ca -0.00 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 2kne s VAL 136 Cb -0.06 -3.56 0.12 0.00 0.00 0.00 0.00 36.38 32.89 2kne s VAL 136 CO -0.00 0.17 1.14 0.21 0.00 0.00 0.00 175.10 176.62 2kne s ASN 137 N 1.74 4.12 0.23 3.32 2.47 -1.26 -1.79 114.94 123.77 2kne s ASN 137 Ca 0.07 0.32 -0.07 0.00 0.42 0.00 0.00 52.86 53.60 2kne s ASN 137 Cb -0.16 -0.70 0.21 0.00 -1.45 0.00 0.00 41.25 39.15 2kne s ASN 137 CO 0.10 -2.07 1.86 0.22 -3.72 0.00 0.00 177.10 173.49 2kne h TYR 138 N -1.02 1.24 -0.51 0.43 3.20 -1.99 -1.22 116.97 117.11 2kne h TYR 138 Ca -0.43 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.40 2kne h TYR 138 Cb 1.28 -0.40 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 2kne h TYR 138 CO -0.25 0.85 0.26 0.93 -1.64 0.00 0.00 178.16 178.32 2kne h GLU 139 N 1.28 0.72 -0.62 1.82 5.08 -1.98 -1.41 114.58 119.47 2kne h GLU 139 Ca 0.32 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 2kne h GLU 139 Cb 0.01 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2kne h GLU 139 CO -0.05 0.58 0.06 0.93 -1.00 0.00 0.00 179.01 179.52 2kne h GLU 140 N 0.67 1.05 -0.56 2.33 5.08 -1.83 -2.12 114.58 119.20 2kne h GLU 140 Ca 0.18 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2kne h GLU 140 Cb 0.08 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 2kne h GLU 140 CO -0.03 0.99 0.35 0.35 -1.00 0.00 0.00 179.01 179.67 2kne h PHE 141 N 0.97 0.74 -0.34 4.33 3.57 -0.88 -2.87 116.94 122.46 2kne h PHE 141 Ca 0.18 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 2kne h PHE 141 Cb 0.48 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2kne h PHE 141 CO 0.03 0.50 0.06 0.28 -2.23 0.00 0.00 178.31 176.95 2kne h VAL 142 N 0.76 1.24 -1.00 1.41 2.07 -1.10 -1.75 116.25 117.88 2kne h VAL 142 Ca 0.20 -0.82 0.21 0.00 0.82 0.00 0.00 66.70 67.11 2kne h VAL 142 Cb -0.03 1.12 -0.11 0.00 -1.52 0.00 0.00 31.29 30.74 2kne h VAL 142 CO -0.04 0.28 0.59 -0.61 0.02 0.00 0.00 177.57 177.81 2kne h GLN 143 N 0.40 0.67 0.08 1.57 4.15 -1.17 0.46 115.11 121.27 2kne h GLN 143 Ca 0.10 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.36 2kne h GLN 143 Cb 0.35 -0.15 0.01 0.00 0.21 0.00 0.00 27.48 27.90 2kne h GLN 143 CO 0.01 0.44 -0.54 0.52 -1.93 0.00 0.00 178.83 177.33 2kne h MET 144 N 0.69 0.23 -0.05 1.69 2.86 -1.29 -3.15 114.93 115.90 2kne h MET 144 Ca 0.60 -0.35 -0.07 0.00 -2.06 0.00 0.00 59.70 57.82 2kne h MET 144 Cb 1.01 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.79 2kne h MET 144 CO -0.42 1.14 -0.23 0.52 1.06 0.00 0.00 176.91 178.98 2kne h MET 145 N -0.50 0.24 -1.16 1.72 2.86 -0.98 -3.24 114.93 113.86 2kne h MET 145 Ca -0.09 -0.19 -0.29 0.00 -2.06 0.00 0.00 59.70 57.07 2kne h MET 145 Cb 1.39 0.04 -0.15 0.00 0.06 0.00 0.00 31.60 32.93 2kne h MET 145 CO 0.10 0.85 0.37 2.41 1.06 0.00 0.00 176.91 181.70 2kne n THR 146 N -4.52 2.35 -2.54 2.22 -1.04 0.16 -4.83 114.28 106.07 2kne n THR 146 Ca -0.09 -1.22 -0.41 0.00 -2.04 0.00 0.00 64.05 60.29 2kne n THR 146 Cb 0.45 -0.93 -0.02 0.00 -1.82 0.00 0.00 70.33 68.02 2kne n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kne s ALA 147 N -1.75 2.98 0.00 2.41 0.00 -1.19 -4.89 121.76 119.32 2kne s ALA 147 Ca 0.30 -2.59 0.00 0.00 0.00 0.00 0.00 51.96 49.67 2kne s ALA 147 Cb 0.25 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.77 2kne s ALA 147 CO 0.04 -3.52 0.00 1.17 0.00 0.00 0.00 175.76 173.44