#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 4.29 -2.55 0.00 -0.08 -1.26 -4.42 116.55 112.53 2kne n ASP 2 Ca 0.00 -2.51 -0.02 0.00 -1.51 0.00 0.00 54.79 50.75 2kne n ASP 2 Cb 0.00 -0.51 -0.02 0.00 2.34 0.00 0.00 41.12 42.93 2kne n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kne n GLN 3 N 0.63 -3.20 -0.02 -0.67 3.00 -1.26 -4.97 117.38 110.90 2kne n GLN 3 Ca 0.22 2.43 0.03 0.00 -0.01 0.00 0.00 57.00 59.67 2kne n GLN 3 Cb 0.82 -3.20 -0.09 0.00 0.00 0.00 0.00 30.24 27.78 2kne n GLN 3 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2kne n LEU 4 N 2.00 0.00 -4.74 1.08 4.77 -1.26 -4.98 117.00 113.87 2kne n LEU 4 Ca -0.15 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.43 2kne n LEU 4 Cb 0.23 0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.33 2kne n LEU 4 CO 0.14 0.06 0.69 -0.89 -1.33 0.00 0.00 177.39 176.06 2kne s THR 5 N -2.68 4.25 0.13 -5.08 2.01 -1.26 -4.95 115.64 108.06 2kne s THR 5 Ca -0.04 1.97 -0.27 0.00 0.31 0.00 0.00 61.69 63.66 2kne s THR 5 Cb 0.06 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.29 2kne s THR 5 CO 0.47 0.35 1.60 -0.08 -0.69 0.00 0.00 174.62 176.27 2kne h GLU 6 N 5.12 -0.41 -1.15 4.92 4.22 -2.02 -1.61 114.58 123.64 2kne h GLU 6 Ca -0.44 0.03 0.41 0.00 0.08 0.00 0.00 59.36 59.44 2kne h GLU 6 Cb 1.21 0.09 -0.13 0.00 0.50 0.00 0.00 28.75 30.42 2kne h GLU 6 CO 0.71 -0.28 0.72 -1.91 -2.18 0.00 0.00 179.01 176.08 2kne n GLU 7 N -5.42 -0.04 0.09 1.92 0.00 -1.26 0.23 120.64 116.17 2kne n GLU 7 Ca -0.04 1.14 -0.03 0.00 0.00 0.00 0.00 57.16 58.23 2kne n GLU 7 Cb 0.33 -2.20 0.18 0.00 0.00 0.00 0.00 31.44 29.76 2kne n GLU 7 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 2kne h GLN 8 N 0.00 0.22 -0.49 5.31 5.75 -1.68 -2.24 115.11 121.98 2kne h GLN 8 Ca 0.78 -0.12 0.01 0.00 -0.15 0.00 0.00 58.65 59.16 2kne h GLN 8 Cb 2.41 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 30.94 2kne h GLN 8 CO -0.47 0.67 0.31 0.82 -2.65 0.00 0.00 178.83 177.51 2kne h ILE 9 N 0.18 1.10 -0.43 2.39 2.04 0.29 -1.03 117.51 122.05 2kne h ILE 9 Ca 0.01 -0.22 0.08 0.00 1.00 0.00 0.00 64.86 65.73 2kne h ILE 9 Cb 0.94 0.41 -0.08 0.00 -0.74 0.00 0.00 36.82 37.35 2kne h ILE 9 CO 0.08 0.12 -0.05 0.00 0.00 0.00 0.00 178.15 178.29 2kne h ALA 10 N 1.19 0.34 -0.30 1.87 0.00 -1.22 0.11 119.26 121.26 2kne h ALA 10 Ca 0.19 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2kne h ALA 10 Cb -0.04 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2kne h ALA 10 CO -0.06 -0.42 0.14 1.49 0.00 0.00 0.00 179.25 180.40 2kne h GLU 11 N 0.05 0.43 -0.77 0.00 4.81 -1.01 -2.96 114.58 115.12 2kne h GLU 11 Ca 0.21 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2kne h GLU 11 Cb 0.31 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 2kne h GLU 11 CO -0.40 0.40 0.33 0.74 -0.73 0.00 0.00 179.01 179.36 2kne h PHE 12 N 0.34 1.15 -0.16 0.92 -1.00 -0.73 -3.02 116.94 114.44 2kne h PHE 12 Ca 0.10 -0.07 0.05 0.00 2.81 0.00 0.00 57.97 60.86 2kne h PHE 12 Cb 0.12 -0.35 -0.06 0.00 3.61 0.00 0.00 35.95 39.27 2kne h PHE 12 CO -0.02 0.86 -0.23 -0.22 -1.61 0.00 0.00 178.31 177.08 2kne h LYS 13 N 1.11 -0.27 -1.00 1.51 3.64 -0.62 -0.35 116.57 120.59 2kne h LYS 13 Ca 0.26 0.02 0.17 0.00 -1.27 0.00 0.00 60.65 59.83 2kne h LYS 13 Cb 0.18 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 31.96 2kne h LYS 13 CO -0.03 -0.18 0.62 0.93 -2.27 0.00 0.00 179.45 178.52 2kne h GLU 14 N -0.28 0.80 -0.86 1.90 5.08 -1.49 -0.02 114.58 119.71 2kne h GLU 14 Ca 0.11 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.51 2kne h GLU 14 Cb 0.44 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 2kne h GLU 14 CO -0.32 0.53 0.56 0.00 -1.00 0.00 0.00 179.01 178.77 2kne h ALA 15 N 1.61 1.66 -0.93 3.43 0.00 -1.04 -2.47 119.26 121.53 2kne h ALA 15 Ca 0.55 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.49 2kne h ALA 15 Cb 0.79 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 2kne h ALA 15 CO -0.34 0.17 0.60 0.74 0.00 0.00 0.00 179.25 180.42 2kne h PHE 16 N 0.85 1.13 0.00 0.00 -1.00 -0.64 -1.23 116.94 116.04 2kne h PHE 16 Ca 0.39 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.20 2kne h PHE 16 Cb 0.39 -0.37 0.00 0.00 3.61 0.00 0.00 35.95 39.58 2kne h PHE 16 CO -0.00 0.64 0.00 0.43 -1.61 0.00 0.00 178.31 177.77 2kne n SER 17 N -4.50 0.61 -0.20 2.17 7.64 -0.93 -2.33 113.62 116.07 2kne n SER 17 Ca 0.12 0.71 -0.09 0.00 1.01 0.00 0.00 58.87 60.62 2kne n SER 17 Cb 0.10 -0.81 0.02 0.00 -1.01 0.00 0.00 64.21 62.51 2kne n SER 17 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2kne h LEU 18 N 0.00 0.90 0.00 -3.43 3.38 -1.26 -3.29 115.31 111.61 2kne h LEU 18 Ca 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2kne h LEU 18 Cb 0.19 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2kne h LEU 18 CO 0.00 0.94 -1.07 2.22 0.09 0.00 0.00 178.44 180.61 2kne n PHE 19 N -4.33 0.00 -2.29 1.13 1.16 -1.14 -4.85 117.46 107.13 2kne n PHE 19 Ca 0.02 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.25 2kne n PHE 19 Cb 0.27 -0.13 -0.04 0.00 -1.61 0.00 0.00 39.48 37.98 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 5.75 0.03 5.98 1.01 -0.99 -4.82 116.67 120.71 2kne s ASP 20 Ca 0.02 -0.73 -0.22 0.00 0.71 0.00 0.00 52.55 52.33 2kne s ASP 20 Cb 0.11 -2.56 -0.15 0.00 1.01 0.00 0.00 42.92 41.33 2kne s ASP 20 CO 0.63 -2.15 1.35 0.11 0.21 0.00 0.00 175.17 175.32 2kne h LYS 21 N 11.23 0.27 -0.61 8.23 6.56 -1.89 -3.27 116.57 137.09 2kne h LYS 21 Ca 0.02 -0.13 0.00 0.00 -1.06 0.00 0.00 60.65 59.47 2kne h LYS 21 Cb 1.04 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.70 2kne h LYS 21 CO 1.29 0.65 0.00 -0.40 -2.06 0.00 0.00 179.45 178.94 2kne n ASP 22 N -4.65 4.37 -4.06 0.86 5.75 -1.26 -4.96 116.55 112.60 2kne n ASP 22 Ca -0.06 -2.35 -0.30 0.00 -0.01 0.00 0.00 54.79 52.07 2kne n ASP 22 Cb 0.32 -0.52 -0.08 0.00 -1.03 0.00 0.00 41.12 39.80 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 1.07 -0.18 0.17 6.12 0.00 -1.24 -4.76 105.19 106.37 2kne n GLY 23 Ca 0.24 0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.52 2kne n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kne n ASP 24 N -2.26 0.67 0.00 1.61 5.68 -1.26 -4.90 116.55 116.08 2kne n ASP 24 Ca -0.15 -0.75 0.00 0.00 -0.50 0.00 0.00 54.79 53.39 2kne n ASP 24 Cb 0.52 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 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 0.98 3.06 6.12 0.00 -1.26 -5.02 105.19 110.34 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 -3.03 0.43 -0.20 2.61 -4.23 -1.26 -4.79 115.64 105.16 2kne s THR 26 Ca 0.00 -1.21 -0.17 0.00 -1.18 0.00 0.00 61.69 59.13 2kne s THR 26 Cb 0.00 -0.74 -0.03 0.00 1.34 0.00 0.00 72.50 73.07 2kne s THR 26 CO 0.00 -0.53 0.46 -0.63 -0.54 0.00 0.00 174.62 173.39 2kne s ILE 27 N -1.90 5.14 0.33 2.99 1.09 -0.96 -4.94 121.20 122.95 2kne s ILE 27 Ca -0.07 0.84 0.09 0.00 -1.10 0.00 0.00 60.65 60.40 2kne s ILE 27 Cb -0.07 -3.79 -0.05 0.00 -1.06 0.00 0.00 42.46 37.50 2kne s ILE 27 CO -0.01 0.20 0.08 0.42 -0.10 0.00 0.00 174.94 175.53 2kne s THR 28 N 1.54 2.91 0.30 2.92 -4.23 -1.26 -2.70 115.64 115.12 2kne s THR 28 Ca 0.22 -1.82 -0.01 0.00 -1.18 0.00 0.00 61.69 58.89 2kne s THR 28 Cb -0.15 -2.90 0.27 0.00 1.34 0.00 0.00 72.50 71.06 2kne s THR 28 CO 0.09 -0.21 1.95 0.71 -0.54 0.00 0.00 174.62 176.63 2kne h THR 29 N 1.68 1.17 0.61 3.99 1.35 -1.93 -1.68 112.91 118.09 2kne h THR 29 Ca -0.43 -0.37 -0.03 0.00 -0.55 0.00 0.00 66.41 65.02 2kne h THR 29 Cb 1.25 -0.01 0.01 0.00 -1.73 0.00 0.00 68.15 67.66 2kne h THR 29 CO 0.64 0.20 -0.29 0.50 -0.25 0.00 0.00 175.52 176.32 2kne h LYS 30 N 1.08 -0.78 -0.02 4.72 3.64 -1.99 -2.47 116.57 120.76 2kne h LYS 30 Ca 0.33 0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.72 2kne h LYS 30 Cb -0.03 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2kne h LYS 30 CO -0.09 -0.49 -0.20 1.05 -2.27 0.00 0.00 179.45 177.45 2kne h GLU 31 N -0.92 0.03 0.21 1.90 4.11 -1.90 -2.64 114.58 115.37 2kne h GLU 31 Ca -0.08 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 2kne h GLU 31 Cb 0.66 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2kne h GLU 31 CO 0.14 0.23 -0.10 1.25 0.07 0.00 0.00 179.01 180.59 2kne h LEU 32 N 0.03 -0.24 -1.44 3.06 5.85 -1.18 -3.00 115.31 118.38 2kne h LEU 32 Ca 0.00 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2kne h LEU 32 Cb 0.37 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 2kne h LEU 32 CO 0.03 -0.11 0.38 1.23 -0.34 0.00 0.00 178.44 179.62 2kne h GLY 33 N -0.36 0.80 0.83 3.75 0.00 -1.23 -2.65 103.07 104.22 2kne h GLY 33 Ca -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2kne h GLY 33 CO 0.05 0.29 -0.17 -0.84 0.00 0.00 0.00 176.54 175.86 2kne h THR 34 N 0.76 0.63 -0.51 4.70 2.02 -1.34 -1.26 112.91 117.91 2kne h THR 34 Ca 0.21 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.43 2kne h THR 34 Cb -0.07 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 2kne h THR 34 CO -0.05 0.00 0.27 0.58 0.37 0.00 0.00 175.52 176.69 2kne h VAL 35 N -0.39 0.97 -0.92 3.16 2.07 -1.41 -1.87 116.25 117.85 2kne h VAL 35 Ca -0.01 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.36 2kne h VAL 35 Cb 0.36 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 2kne h VAL 35 CO -0.02 0.09 0.60 -0.03 0.02 0.00 0.00 177.57 178.23 2kne h MET 36 N 0.52 1.15 -0.91 1.57 -1.53 -1.31 -1.15 114.93 113.27 2kne h MET 36 Ca 0.22 -0.07 0.16 0.00 -3.44 0.00 0.00 59.70 56.58 2kne h MET 36 Cb 0.12 -0.26 -0.07 0.00 -0.55 0.00 0.00 31.60 30.83 2kne h MET 36 CO -0.15 0.76 0.59 -0.09 0.14 0.00 0.00 176.91 178.16 2kne h ARG 37 N 1.19 0.61 0.00 0.39 2.43 -0.41 0.57 114.38 119.16 2kne h ARG 37 Ca 0.36 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.49 2kne h ARG 37 Cb -0.04 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 2kne h ARG 37 CO -0.11 0.41 -0.00 1.03 -1.51 0.00 0.00 179.97 179.79 2kne h SER 38 N 0.63 0.00 0.00 -3.80 0.87 -0.84 -0.10 113.55 110.31 2kne h SER 38 Ca 0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 2kne h SER 38 Cb 0.86 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 2kne h SER 38 CO -0.22 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.26 2kne n LEU 39 N -3.12 0.00 0.00 2.23 4.77 0.20 -4.82 117.00 116.27 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 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2kne n LEU 39 CO 0.22 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 2kne n GLY 40 N 0.50 0.47 3.73 -0.72 0.00 -0.05 -5.05 105.19 104.07 2kne n GLY 40 Ca 0.13 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 2kne n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kne s GLN 41 N -1.16 2.59 -0.79 1.61 0.74 -1.23 -5.07 119.66 116.35 2kne s GLN 41 Ca 0.00 -1.25 0.02 0.00 0.05 0.00 0.00 55.36 54.18 2kne s GLN 41 Cb 0.00 -2.35 0.28 0.00 1.10 0.00 0.00 33.01 32.04 2kne s GLN 41 CO 0.00 0.37 1.04 0.09 -0.55 0.00 0.00 175.29 176.23 2kne n ASN 42 N -1.05 4.80 -4.77 6.67 4.13 -1.26 -4.44 115.26 119.35 2kne n ASN 42 Ca -0.07 -3.46 -0.40 0.00 1.68 0.00 0.00 54.58 52.33 2kne n ASN 42 Cb 0.59 -0.88 -0.01 0.00 -1.54 0.00 0.00 39.78 37.94 2kne n ASN 42 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2kne s PRO 43 N -2.70 4.07 0.54 3.52 0.04 -1.26 -5.01 135.00 134.20 2kne s PRO 43 Ca 0.37 2.20 -0.12 0.00 0.04 0.00 0.00 61.00 63.49 2kne s PRO 43 Cb 0.12 -2.85 -0.06 0.00 0.04 0.00 0.00 34.50 31.76 2kne s PRO 43 CO 0.02 -0.42 0.95 0.99 0.04 0.00 0.00 177.00 178.58 2kne s THR 44 N -1.22 4.68 0.26 1.26 2.01 -1.26 -4.95 115.64 116.41 2kne s THR 44 Ca 0.55 0.89 -0.02 0.00 0.31 0.00 0.00 61.69 63.42 2kne s THR 44 Cb -0.39 -3.80 0.23 0.00 0.01 0.00 0.00 72.50 68.55 2kne s THR 44 CO 0.51 -0.87 1.80 1.05 -0.69 0.00 0.00 174.62 176.41 2kne h GLU 45 N 0.38 0.73 -0.23 4.92 4.11 -2.02 0.79 114.58 123.26 2kne h GLU 45 Ca -0.46 -0.04 0.07 0.00 0.07 0.00 0.00 59.36 59.00 2kne h GLU 45 Cb 1.19 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2kne h GLU 45 CO 0.62 0.48 0.26 0.00 0.07 0.00 0.00 179.01 180.44 2kne h ALA 46 N 1.50 1.87 -0.62 1.06 0.00 -2.01 -0.53 119.26 120.54 2kne h ALA 46 Ca 0.43 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.25 2kne h ALA 46 Cb 0.49 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2kne h ALA 46 CO -0.29 -0.37 0.04 1.49 0.00 0.00 0.00 179.25 180.12 2kne h GLU 47 N 0.00 1.05 -0.93 0.00 4.57 -1.20 -2.06 114.58 116.01 2kne h GLU 47 Ca 0.11 -0.31 0.09 0.00 -1.18 0.00 0.00 59.36 58.07 2kne h GLU 47 Cb 0.62 -0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 29.03 2kne h GLU 47 CO -0.00 1.00 0.58 -0.07 -1.18 0.00 0.00 179.01 179.34 2kne h LEU 48 N 0.97 0.88 0.36 1.64 4.07 -1.15 -2.06 115.31 120.02 2kne h LEU 48 Ca 0.18 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.15 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 0.53 -0.17 -0.61 -1.08 0.00 0.00 178.44 177.12 2kne h GLN 49 N 0.99 -0.47 -0.43 1.13 4.15 -1.50 -2.02 115.11 116.97 2kne h GLN 49 Ca 0.43 0.03 0.08 0.00 0.77 0.00 0.00 58.65 59.96 2kne h GLN 49 Cb 0.30 0.11 -0.07 0.00 0.21 0.00 0.00 27.48 28.03 2kne h GLN 49 CO -0.21 -0.15 0.01 -0.44 -1.93 0.00 0.00 178.83 176.10 2kne h ASP 50 N -0.94 -0.16 -0.16 -0.69 3.32 -1.24 -1.25 116.42 115.30 2kne h ASP 50 Ca -0.05 0.10 -0.10 0.00 0.02 0.00 0.00 57.03 56.99 2kne h ASP 50 Cb 0.53 0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.25 2kne h ASP 50 CO 0.08 -0.05 -0.31 0.24 -1.72 0.00 0.00 179.24 177.48 2kne h MET 51 N 0.12 0.48 -0.22 3.56 2.86 -1.48 -3.17 114.93 117.08 2kne h MET 51 Ca 0.21 -0.31 0.02 0.00 -2.06 0.00 0.00 59.70 57.56 2kne h MET 51 Cb 0.31 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 2kne h MET 51 CO -0.35 0.92 0.09 0.82 1.06 0.00 0.00 176.91 179.45 2kne h ILE 52 N 0.11 0.97 -0.63 -1.22 1.08 -1.18 -2.48 117.51 114.16 2kne h ILE 52 Ca 0.01 -0.07 0.09 0.00 -0.39 0.00 0.00 64.86 64.50 2kne h ILE 52 Cb 0.90 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 35.36 2kne h ILE 52 CO 0.07 0.04 0.42 0.78 -0.69 0.00 0.00 178.15 178.77 2kne h ASN 53 N 0.20 0.44 -0.60 1.72 2.35 -1.30 -0.06 115.58 118.34 2kne h ASN 53 Ca 0.09 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.76 2kne h ASN 53 Cb 0.05 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 2kne h ASN 53 CO -0.08 0.27 0.01 -0.33 -1.65 0.00 0.00 177.43 175.65 2kne h GLU 54 N 0.49 1.05 0.00 0.81 4.39 -1.41 -3.05 114.58 116.85 2kne h GLU 54 Ca 0.29 -0.33 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 2kne h GLU 54 Cb 0.48 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2kne h GLU 54 CO -0.09 1.02 -0.67 0.28 -1.16 0.00 0.00 179.01 178.40 2kne h VAL 55 N 0.94 0.18 -0.95 3.13 2.07 -1.30 -3.43 116.25 116.89 2kne h VAL 55 Ca 0.17 -1.29 -0.58 0.00 0.82 0.00 0.00 66.70 65.82 2kne h VAL 55 Cb 0.54 1.85 -0.09 0.00 -1.52 0.00 0.00 31.29 32.08 2kne h VAL 55 CO 0.03 0.10 1.64 -0.62 0.02 0.00 0.00 177.57 178.74 2kne s ASP 56 N -5.83 6.40 0.27 0.57 2.15 -0.09 -4.84 116.67 115.30 2kne s ASP 56 Ca 0.02 -1.72 -0.03 0.00 0.43 0.00 0.00 52.55 51.25 2kne s ASP 56 Cb 0.08 -2.57 0.34 0.00 -0.30 0.00 0.00 42.92 40.46 2kne s ASP 56 CO 0.75 -1.61 1.85 0.00 -0.17 0.00 0.00 175.17 176.00 2kne h ALA 57 N 9.20 1.22 -0.01 3.66 0.00 -1.85 -2.71 119.26 128.77 2kne h ALA 57 Ca 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kne h ALA 57 Cb 0.96 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2kne h ALA 57 CO 1.41 0.58 -0.09 -0.40 0.00 0.00 0.00 179.25 180.75 2kne n ASP 58 N -4.31 0.66 -1.85 0.00 5.75 -1.26 -4.92 116.55 110.61 2kne n ASP 58 Ca 0.06 -0.84 -0.20 0.00 -0.01 0.00 0.00 54.79 53.81 2kne n ASP 58 Cb 0.16 -0.03 -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 1.23 1.05 0.43 6.12 0.00 -1.02 -4.85 105.19 108.15 2kne n GLY 59 Ca 0.16 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.25 2kne n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kne n ASN 60 N -1.51 1.30 0.00 1.61 6.94 -1.26 -4.90 115.26 117.44 2kne n ASN 60 Ca -0.22 -1.67 0.00 0.00 -0.02 0.00 0.00 54.58 52.68 2kne n ASN 60 Cb 0.67 -0.09 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 1.05 0.88 3.40 4.83 0.00 -1.26 -5.00 105.19 109.08 2kne n GLY 61 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.49 0.03 -0.15 2.61 -4.23 -1.26 -4.70 115.64 104.45 2kne s THR 62 Ca 0.00 -1.48 -0.02 0.00 -1.18 0.00 0.00 61.69 59.01 2kne s THR 62 Cb 0.00 -2.06 -0.02 0.00 1.34 0.00 0.00 72.50 71.77 2kne s THR 62 CO 0.00 -0.15 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.20 2kne s ILE 63 N -4.01 3.29 0.27 2.99 1.01 -1.10 -4.83 121.20 118.82 2kne s ILE 63 Ca 0.22 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.34 2kne s ILE 63 Cb 0.03 -2.42 0.04 0.00 0.01 0.00 0.00 42.46 40.12 2kne s ILE 63 CO 0.05 0.50 0.31 -0.90 0.00 0.00 0.00 174.94 174.90 2kne n ASP 64 N 3.72 1.32 -0.09 3.58 5.68 -1.26 -2.27 116.55 127.23 2kne n ASP 64 Ca -0.18 -1.79 -0.08 0.00 -0.50 0.00 0.00 54.79 52.24 2kne n ASP 64 Cb 0.52 -0.13 -0.00 0.00 -1.14 0.00 0.00 41.12 40.37 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 0.31 -0.05 2.11 3.04 -1.99 -1.61 116.94 118.99 2kne h PHE 65 Ca -0.14 0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.85 2kne h PHE 65 Cb 0.59 -0.09 -0.03 0.00 2.56 0.00 0.00 35.95 38.98 2kne h PHE 65 CO 0.00 0.17 -0.11 -1.35 -2.02 0.00 0.00 178.31 175.01 2kne h PRO 66 N 0.35 -0.15 0.00 6.41 0.11 -2.01 -0.56 132.00 136.15 2kne h PRO 66 Ca 0.13 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 2kne h PRO 66 Cb 0.04 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 2kne h PRO 66 CO -0.09 -0.10 -0.01 0.93 -0.21 0.00 0.00 178.00 178.53 2kne h GLU 67 N -0.16 0.00 0.37 1.05 5.08 -1.92 -2.79 114.58 116.21 2kne h GLU 67 Ca 0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2kne h GLU 67 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2kne h GLU 67 CO -0.15 0.01 -0.18 0.35 -1.00 0.00 0.00 179.01 178.04 2kne h PHE 68 N 0.00 -0.46 -0.62 4.33 3.57 -0.10 -3.34 116.94 120.32 2kne h PHE 68 Ca -0.00 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.53 2kne h PHE 68 Cb 0.15 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 2kne h PHE 68 CO 0.00 -0.19 0.36 -0.07 -2.23 0.00 0.00 178.31 176.18 2kne h LEU 69 N -1.06 0.56 -0.95 0.59 3.38 -1.16 -2.96 115.31 113.72 2kne h LEU 69 Ca -0.05 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.03 2kne h LEU 69 Cb 0.48 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 41.00 2kne h LEU 69 CO 0.08 0.38 -0.56 0.74 0.09 0.00 0.00 178.44 179.18 2kne h THR 70 N 0.69 0.00 -0.59 0.22 2.02 -1.63 0.17 112.91 113.79 2kne h THR 70 Ca 0.26 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.38 2kne h THR 70 Cb 0.10 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 2kne h THR 70 CO -0.14 0.00 0.13 0.00 0.37 0.00 0.00 175.52 175.88 2kne h MET 71 N -0.03 0.96 -0.97 6.66 -0.00 -1.65 -3.07 114.93 116.82 2kne h MET 71 Ca 0.18 -0.24 0.02 0.00 -0.00 0.00 0.00 59.70 59.66 2kne h MET 71 Cb 0.45 -0.12 -0.05 0.00 -0.00 0.00 0.00 31.60 31.88 2kne h MET 71 CO -0.92 0.89 0.64 0.52 -0.00 0.00 0.00 176.91 178.04 2kne h MET 72 N 0.87 1.24 -0.30 -0.10 2.07 -0.98 0.32 114.93 118.04 2kne h MET 72 Ca 0.18 -0.07 -0.07 0.00 -2.07 0.00 0.00 59.70 57.67 2kne h MET 72 Cb 0.38 -0.28 -0.02 0.00 -1.87 0.00 0.00 31.60 29.81 2kne h MET 72 CO 0.01 0.82 -0.10 0.00 1.07 0.00 0.00 176.91 178.71 2kne h ALA 73 N 1.41 1.28 -0.00 6.32 0.00 -0.94 -2.77 119.26 124.56 2kne h ALA 73 Ca 0.37 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2kne h ALA 73 Cb -0.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2kne h ALA 73 CO -0.10 0.48 -0.71 2.89 0.00 0.00 0.00 179.25 181.82 2kne n ARG 74 N -4.22 0.32 -1.70 0.00 1.85 -0.94 -4.05 116.66 107.92 2kne n ARG 74 Ca 0.01 -0.24 -0.41 0.00 -1.00 0.00 0.00 57.85 56.20 2kne n ARG 74 Cb 0.30 -1.49 -0.01 0.00 -1.05 0.00 0.00 32.46 30.21 2kne n ARG 74 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2kne n LYS 75 N -1.13 3.21 -0.43 2.89 3.00 0.11 -4.46 118.16 121.35 2kne n LYS 75 Ca 0.06 -2.63 0.08 0.00 -0.00 0.00 0.00 58.31 55.82 2kne n LYS 75 Cb 0.36 -3.11 0.26 0.00 0.00 0.00 0.00 35.03 32.54 2kne n LYS 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2kne n MET 76 N 5.08 3.19 -1.64 1.64 2.81 -1.26 -4.96 117.12 121.98 2kne n MET 76 Ca 0.58 -2.66 -0.48 0.00 -1.81 0.00 0.00 57.70 53.33 2kne n MET 76 Cb 0.34 -1.73 -0.04 0.00 -0.71 0.00 0.00 33.22 31.08 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 0.11 1.77 -4.09 0.03 4.81 -1.26 -4.98 118.16 114.54 2kne n LYS 77 Ca 0.20 0.64 -0.31 0.00 -0.87 0.00 0.00 58.31 57.96 2kne n LYS 77 Cb 0.79 -2.33 -0.07 0.00 0.02 0.00 0.00 35.03 33.44 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 0.63 5.50 -0.03 3.14 -4.77 -1.26 -5.12 116.67 114.77 2kne s ASP 78 Ca 0.79 0.03 0.02 0.00 -3.30 0.00 0.00 52.55 50.08 2kne s ASP 78 Cb -0.77 -1.50 0.01 0.00 -1.09 0.00 0.00 42.92 39.57 2kne s ASP 78 CO 0.43 0.21 -0.07 0.42 0.70 0.00 0.00 175.17 176.87 2kne s THR 79 N -1.29 0.63 -0.06 2.11 -4.23 -1.26 -5.10 115.64 106.44 2kne s THR 79 Ca 0.26 -0.25 -0.29 0.00 -1.18 0.00 0.00 61.69 60.23 2kne s THR 79 Cb -0.12 -0.59 -0.07 0.00 1.34 0.00 0.00 72.50 73.06 2kne s THR 79 CO 0.18 0.22 1.95 -0.62 -0.54 0.00 0.00 174.62 175.81 2kne s ASP 80 N 0.42 6.24 0.57 3.99 2.15 -1.26 -4.76 116.67 124.02 2kne s ASP 80 Ca -0.06 2.33 0.02 0.00 0.43 0.00 0.00 52.55 55.27 2kne s ASP 80 Cb -0.10 -2.53 0.07 0.00 -0.30 0.00 0.00 42.92 40.07 2kne s ASP 80 CO 0.00 -1.27 0.90 -1.20 -0.17 0.00 0.00 175.17 173.43 2kne n SER 81 N 8.55 0.00 0.04 -0.34 7.64 -1.26 0.13 113.62 128.38 2kne n SER 81 Ca 0.22 0.46 -0.05 0.00 1.01 0.00 0.00 58.87 60.51 2kne n SER 81 Cb 0.43 -0.02 0.15 0.00 -1.01 0.00 0.00 64.21 63.76 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 0.42 -1.02 1.43 4.39 -2.01 -3.13 114.58 114.66 2kne h GLU 82 Ca 0.04 -0.21 0.25 0.00 0.34 0.00 0.00 59.36 59.78 2kne h GLU 82 Cb 1.82 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 30.37 2kne h GLU 82 CO -0.00 0.76 0.64 1.49 -1.16 0.00 0.00 179.01 180.74 2kne h GLU 83 N 0.35 0.48 0.00 2.33 4.81 0.71 0.17 114.58 123.43 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 0.87 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2kne h GLU 83 CO 0.07 0.32 -0.66 1.49 -0.73 0.00 0.00 179.01 179.50 2kne h GLU 84 N 0.49 0.00 0.00 1.92 4.57 -1.73 -3.27 114.58 116.56 2kne h GLU 84 Ca 0.61 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.79 2kne h GLU 84 Cb 1.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 2kne h GLU 84 CO -0.36 0.00 0.00 -0.89 -1.18 0.00 0.00 179.01 176.58 2kne n ILE 85 N -2.72 0.00 -0.30 2.32 2.08 0.59 -1.32 119.36 120.01 2kne n ILE 85 Ca 0.02 1.20 -0.05 0.00 0.56 0.00 0.00 62.75 64.48 2kne n ILE 85 Cb 0.53 -2.17 0.07 0.00 -0.75 0.00 0.00 39.64 37.32 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 1.17 -0.80 0.38 3.08 -1.76 -2.97 114.38 113.48 2kne h ARG 86 Ca 0.00 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 2kne h ARG 86 Cb 0.00 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 29.80 2kne h ARG 86 CO 0.00 0.90 0.41 0.93 -1.07 0.00 0.00 179.97 181.14 2kne h GLU 87 N 1.15 1.14 0.00 0.04 5.08 -1.67 -1.77 114.58 118.55 2kne h GLU 87 Ca 0.28 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2kne h GLU 87 Cb 0.12 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 2kne h GLU 87 CO -0.03 0.86 -0.01 0.00 -1.00 0.00 0.00 179.01 178.83 2kne h ALA 88 N 1.22 1.11 0.02 3.43 0.00 -1.04 -2.45 119.26 121.56 2kne h ALA 88 Ca 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2kne h ALA 88 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kne h ALA 88 CO -0.04 0.01 -0.01 0.35 0.00 0.00 0.00 179.25 179.56 2kne h PHE 89 N 0.00 -0.03 -0.77 0.00 3.57 -1.31 -2.83 116.94 115.57 2kne h PHE 89 Ca -0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 2kne h PHE 89 Cb 0.06 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.74 2kne h PHE 89 CO 0.00 0.52 0.43 -0.09 -2.23 0.00 0.00 178.31 176.94 2kne h ARG 90 N -0.60 0.71 -0.39 1.11 2.43 -1.43 0.31 114.38 116.51 2kne h ARG 90 Ca -0.00 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 2kne h ARG 90 Cb 0.57 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 2kne h ARG 90 CO 0.01 0.47 0.05 0.28 -1.51 0.00 0.00 179.97 179.27 2kne h VAL 91 N 0.73 1.24 -0.40 0.20 2.07 -1.62 -3.05 116.25 115.42 2kne h VAL 91 Ca 0.37 -0.89 -0.13 0.00 0.82 0.00 0.00 66.70 66.88 2kne h VAL 91 Cb 0.34 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2kne h VAL 91 CO -0.24 0.30 -0.25 -0.26 0.02 0.00 0.00 177.57 177.14 2kne h PHE 92 N 0.50 0.95 -1.61 1.57 -1.00 -1.12 -3.30 116.94 112.93 2kne h PHE 92 Ca 0.12 -0.23 -0.70 0.00 2.81 0.00 0.00 57.97 59.96 2kne h PHE 92 Cb 0.39 -0.22 -0.13 0.00 3.61 0.00 0.00 35.95 39.59 2kne h PHE 92 CO 0.03 0.99 1.65 0.34 -1.61 0.00 0.00 178.31 179.71 2kne s ASP 93 N -6.76 6.91 0.12 2.17 -1.08 0.10 -4.61 116.67 113.52 2kne s ASP 93 Ca -0.10 -2.61 -0.20 0.00 -0.52 0.00 0.00 52.55 49.12 2kne s ASP 93 Cb 0.13 -2.48 -0.06 0.00 -1.46 0.00 0.00 42.92 39.05 2kne s ASP 93 CO 0.85 -0.98 1.75 0.50 0.52 0.00 0.00 175.17 177.81 2kne h LYS 94 N 7.62 0.15 -0.20 4.34 3.64 -1.71 -2.68 116.57 127.73 2kne h LYS 94 Ca 0.35 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2kne h LYS 94 Cb 0.89 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2kne h LYS 94 CO 1.33 0.10 0.00 -0.40 -2.27 0.00 0.00 179.45 178.21 2kne n ASP 95 N -5.04 1.95 -3.85 4.20 5.68 -1.26 -4.94 116.55 113.29 2kne n ASP 95 Ca -0.03 -1.76 -0.26 0.00 -0.50 0.00 0.00 54.79 52.24 2kne n ASP 95 Cb 0.06 -0.13 0.02 0.00 -1.14 0.00 0.00 41.12 39.93 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 -0.35 0.63 6.12 0.00 -1.01 -4.84 105.19 106.91 2kne n GLY 96 Ca 0.16 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.42 2kne n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kne n ASN 97 N -2.95 1.85 0.00 1.61 6.94 -1.26 -4.89 115.26 116.57 2kne n ASN 97 Ca -0.17 -1.84 0.00 0.00 -0.02 0.00 0.00 54.58 52.55 2kne n ASN 97 Cb 0.62 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 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 0.84 3.01 4.83 0.00 -1.26 -5.02 105.19 108.71 2kne n GLY 98 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 2kne n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kne s TYR 99 N -3.26 0.32 -0.35 1.61 1.51 -1.26 -4.62 117.35 111.30 2kne s TYR 99 Ca 0.00 -0.66 -0.18 0.00 -1.01 0.00 0.00 57.07 55.22 2kne s TYR 99 Cb 0.00 -0.24 -0.00 0.00 -0.11 0.00 0.00 41.96 41.61 2kne s TYR 99 CO 0.00 -0.24 0.52 0.42 -1.11 0.00 0.00 175.55 175.14 2kne s ILE 100 N -2.08 5.01 0.28 2.71 1.01 -0.62 -4.69 121.20 122.82 2kne s ILE 100 Ca -0.10 0.35 -0.13 0.00 0.00 0.00 0.00 60.65 60.78 2kne s ILE 100 Cb -0.05 -3.97 -0.08 0.00 0.01 0.00 0.00 42.46 38.36 2kne s ILE 100 CO -0.03 -0.23 0.65 -0.44 0.00 0.00 0.00 174.94 174.89 2kne s SER 101 N 1.76 6.71 0.18 3.58 0.01 -1.26 -2.58 113.70 122.10 2kne s SER 101 Ca 0.19 1.12 -0.13 0.00 1.31 0.00 0.00 55.95 58.44 2kne s SER 101 Cb -0.15 -2.31 0.13 0.00 0.21 0.00 0.00 66.02 63.90 2kne s SER 101 CO 0.13 -0.15 1.80 0.00 0.41 0.00 0.00 173.24 175.43 2kne h ALA 102 N 2.38 0.68 -0.96 1.44 0.00 -1.97 -1.41 119.26 119.42 2kne h ALA 102 Ca -0.47 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.54 2kne h ALA 102 Cb 1.17 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 2kne h ALA 102 CO 0.67 -0.04 0.60 0.00 0.00 0.00 0.00 179.25 180.48 2kne h ALA 103 N 1.27 1.38 -0.48 0.00 0.00 -2.00 -0.24 119.26 119.18 2kne h ALA 103 Ca 0.23 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 2kne h ALA 103 Cb 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2kne h ALA 103 CO -0.14 0.27 0.04 0.93 0.00 0.00 0.00 179.25 180.36 2kne h GLU 104 N 1.01 0.83 -0.41 0.00 5.08 -1.68 -3.09 114.58 116.31 2kne h GLU 104 Ca 0.45 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 2kne h GLU 104 Cb 0.34 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2kne h GLU 104 CO -0.23 0.85 0.15 1.25 -1.00 0.00 0.00 179.01 180.04 2kne h LEU 105 N 0.69 0.57 -0.97 1.33 6.46 -0.24 -3.01 115.31 120.14 2kne h LEU 105 Ca 0.14 -0.18 0.31 0.00 -0.12 0.00 0.00 57.88 58.03 2kne h LEU 105 Cb 0.45 -0.15 -0.17 0.00 -0.73 0.00 0.00 40.66 40.06 2kne h LEU 105 CO 0.02 0.59 0.22 -0.09 -0.62 0.00 0.00 178.44 178.56 2kne h ARG 106 N 0.51 0.05 0.00 1.25 2.43 -1.00 1.53 114.38 119.14 2kne h ARG 106 Ca 0.13 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2kne h ARG 106 Cb 0.20 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2kne h ARG 106 CO -0.01 0.03 -0.01 1.25 -1.51 0.00 0.00 179.97 179.73 2kne h HIS 107 N 0.05 0.00 -0.71 2.20 2.76 -1.60 -2.41 115.15 115.43 2kne h HIS 107 Ca 0.67 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.87 2kne h HIS 107 Cb 1.51 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.42 2kne h HIS 107 CO -0.31 0.01 0.45 0.28 -1.30 0.00 0.00 177.93 177.06 2kne h VAL 108 N 0.00 1.10 -0.64 5.26 2.07 0.21 -2.70 116.25 121.54 2kne h VAL 108 Ca -0.00 -0.30 0.11 0.00 0.82 0.00 0.00 66.70 67.33 2kne h VAL 108 Cb 0.02 0.15 -0.08 0.00 -1.52 0.00 0.00 31.29 29.85 2kne h VAL 108 CO 0.00 0.16 0.20 0.24 0.02 0.00 0.00 177.57 178.19 2kne h MET 109 N 0.87 0.33 -0.55 1.57 2.07 -1.50 -1.47 114.93 116.26 2kne h MET 109 Ca 0.29 -0.02 -0.02 0.00 -2.07 0.00 0.00 59.70 57.87 2kne h MET 109 Cb 0.02 -0.08 -0.03 0.00 -1.87 0.00 0.00 31.60 29.65 2kne h MET 109 CO -0.11 0.22 0.24 1.79 1.07 0.00 0.00 176.91 180.12 2kne h THR 110 N 0.34 1.19 -0.61 2.22 1.35 -1.62 0.18 112.91 115.96 2kne h THR 110 Ca 0.34 -0.57 -0.07 0.00 -0.55 0.00 0.00 66.41 65.55 2kne h THR 110 Cb 0.48 0.52 -0.02 0.00 -1.73 0.00 0.00 68.15 67.40 2kne h THR 110 CO -0.38 0.23 0.11 -1.13 -0.25 0.00 0.00 175.52 174.10 2kne h ASN 111 N 0.77 0.97 0.47 5.36 -1.24 -1.15 -2.89 115.58 117.87 2kne h ASN 111 Ca 0.19 -0.26 0.00 0.00 0.71 0.00 0.00 56.30 56.94 2kne h ASN 111 Cb 0.12 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 38.92 2kne h ASN 111 CO -0.02 0.98 -0.39 0.00 -1.29 0.00 0.00 177.43 176.71 2kne n LEU 112 N -4.29 0.58 -1.31 0.34 -0.00 -0.98 -4.97 117.00 106.36 2kne n LEU 112 Ca 0.03 -0.02 -0.06 0.00 -0.00 0.00 0.00 56.01 55.96 2kne n LEU 112 Cb 0.27 -0.24 0.02 0.00 -0.00 0.00 0.00 43.42 43.48 2kne n LEU 112 CO 0.42 0.13 0.06 0.61 -0.00 0.00 0.00 177.39 178.61 2kne n GLY 113 N 1.45 0.56 0.09 1.47 0.00 0.43 -4.97 105.19 104.22 2kne n GLY 113 Ca 0.08 -0.43 -0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.69 0.00 -6.43 1.61 4.57 -1.32 -3.49 114.58 108.83 2kne h GLU 114 Ca -0.15 0.00 -0.44 0.00 -1.18 0.00 0.00 59.36 57.59 2kne h GLU 114 Cb 1.09 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.72 2kne h GLU 114 CO 0.14 0.29 -0.90 1.63 -1.18 0.00 0.00 179.01 179.00 2kne n LYS 115 N -2.90 -1.07 -2.91 1.92 4.76 -1.26 -4.93 118.16 111.77 2kne n LYS 115 Ca -0.10 0.55 -0.34 0.00 -2.87 0.00 0.00 58.31 55.55 2kne n LYS 115 Cb 0.84 -3.48 -0.07 0.00 -1.84 0.00 0.00 35.03 30.48 2kne n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kne s LEU 116 N -6.09 4.13 0.86 -0.35 1.43 -1.26 -5.08 118.68 112.31 2kne s LEU 116 Ca 0.32 1.61 -0.11 0.00 -1.03 0.00 0.00 54.13 54.92 2kne s LEU 116 Cb -0.14 -4.16 0.15 0.00 0.03 0.00 0.00 46.19 42.07 2kne s LEU 116 CO 0.88 -0.19 1.19 0.42 0.23 0.00 0.00 176.35 178.89 2kne s THR 117 N -1.89 2.07 0.17 5.49 -4.23 -1.26 -4.86 115.64 111.12 2kne s THR 117 Ca 0.54 -0.16 -0.15 0.00 -1.18 0.00 0.00 61.69 60.75 2kne s THR 117 Cb -0.13 -2.91 0.05 0.00 1.34 0.00 0.00 72.50 70.85 2kne s THR 117 CO 0.18 0.00 1.79 -0.78 -0.54 0.00 0.00 174.62 175.27 2kne h ASP 118 N -1.19 0.38 -0.27 3.99 1.82 -1.99 -1.40 116.42 117.76 2kne h ASP 118 Ca -0.43 0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.25 2kne h ASP 118 Cb 1.26 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 41.18 2kne h ASP 118 CO 0.45 0.27 0.08 -0.08 -1.61 0.00 0.00 179.24 178.36 2kne h GLU 119 N 0.49 0.20 -0.03 0.28 4.57 -2.00 -2.01 114.58 116.08 2kne h GLU 119 Ca 0.19 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.25 2kne h GLU 119 Cb 0.06 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2kne h GLU 119 CO -0.11 0.13 -0.45 0.93 -1.18 0.00 0.00 179.01 178.34 2kne h GLU 120 N 0.20 0.08 -0.64 1.92 5.08 -1.88 -1.58 114.58 117.77 2kne h GLU 120 Ca 0.12 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2kne h GLU 120 Cb 0.10 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2kne h GLU 120 CO -0.13 0.51 0.22 0.28 -1.00 0.00 0.00 179.01 178.89 2kne h VAL 121 N 0.07 1.24 -0.36 3.13 2.07 -0.83 -2.27 116.25 119.30 2kne h VAL 121 Ca 0.00 -0.81 -0.11 0.00 0.82 0.00 0.00 66.70 66.60 2kne h VAL 121 Cb 0.82 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2kne h VAL 121 CO 0.06 0.31 -0.23 -0.78 0.02 0.00 0.00 177.57 176.95 2kne h ASP 122 N 0.91 0.73 0.13 0.57 3.58 -1.12 -3.02 116.42 118.20 2kne h ASP 122 Ca 0.21 -0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 2kne h ASP 122 Cb 0.26 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 2kne h ASP 122 CO -0.01 0.94 -0.08 -0.33 -2.88 0.00 0.00 179.24 176.88 2kne h GLU 123 N 0.63 -0.19 -0.72 0.28 4.39 -0.75 -2.07 114.58 116.15 2kne h GLU 123 Ca 0.09 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.86 2kne h GLU 123 Cb 0.73 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.36 2kne h GLU 123 CO 0.06 -0.13 0.42 0.52 -1.16 0.00 0.00 179.01 178.72 2kne h MET 124 N -0.20 0.76 -0.59 2.33 2.86 -1.46 -2.27 114.93 116.37 2kne h MET 124 Ca -0.01 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2kne h MET 124 Cb 0.16 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 2kne h MET 124 CO 0.02 0.50 0.38 0.82 1.06 0.00 0.00 176.91 179.69 2kne h ILE 125 N 0.78 1.12 -0.51 -1.22 1.08 -1.36 -2.27 117.51 115.14 2kne h ILE 125 Ca 0.32 -0.26 -0.02 0.00 -0.39 0.00 0.00 64.86 64.50 2kne h ILE 125 Cb 0.16 0.29 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 2kne h ILE 125 CO -0.17 0.14 0.23 0.03 -0.69 0.00 0.00 178.15 177.69 2kne h ARG 126 N 0.76 0.71 -0.94 2.37 3.08 -0.82 -0.49 114.38 119.05 2kne h ARG 126 Ca 0.22 -0.09 0.04 0.00 0.07 0.00 0.00 59.98 60.23 2kne h ARG 126 Cb -0.05 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 29.80 2kne h ARG 126 CO -0.06 0.56 0.61 0.93 -1.07 0.00 0.00 179.97 180.94 2kne h GLU 127 N 0.71 1.12 0.00 0.04 5.08 -0.97 -2.69 114.58 117.87 2kne h GLU 127 Ca 0.18 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2kne h GLU 127 Cb 0.10 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 2kne h GLU 127 CO -0.02 0.74 -1.15 0.00 -1.00 0.00 0.00 179.01 177.59 2kne n ALA 128 N -2.36 2.49 -2.45 3.43 0.00 -1.04 -4.71 120.51 115.86 2kne n ALA 128 Ca 0.13 -0.29 -0.39 0.00 0.00 0.00 0.00 53.44 52.89 2kne n ALA 128 Cb 0.12 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 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 -5.32 6.34 0.00 0.00 2.15 -0.22 -4.75 116.67 114.88 2kne s ASP 129 Ca -0.02 -1.96 0.16 0.00 0.43 0.00 0.00 52.55 51.17 2kne s ASP 129 Cb 0.10 -2.58 0.70 0.00 -0.30 0.00 0.00 42.92 40.84 2kne s ASP 129 CO 0.80 -1.67 1.51 2.30 -0.17 0.00 0.00 175.17 177.94 2kne n ILE 130 N 6.85 0.87 -3.87 4.11 -5.35 -1.26 -4.65 119.36 116.05 2kne n ILE 130 Ca 0.44 0.22 -0.11 0.00 -0.27 0.00 0.00 62.75 63.02 2kne n ILE 130 Cb 0.47 -0.94 -0.12 0.00 -1.74 0.00 0.00 39.64 37.31 2kne n ILE 130 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 2kne s ASP 131 N -2.97 -0.02 -0.11 7.28 -4.77 -1.26 -5.06 116.67 109.76 2kne s ASP 131 Ca 0.08 -0.02 -0.04 0.00 -3.30 0.00 0.00 52.55 49.28 2kne s ASP 131 Cb 0.11 0.19 -0.17 0.00 -1.09 0.00 0.00 42.92 41.96 2kne s ASP 131 CO 0.29 -0.16 2.55 0.61 0.70 0.00 0.00 175.17 179.16 2kne n GLY 132 N 2.40 2.44 0.01 2.12 0.00 -1.26 -4.20 105.19 106.69 2kne n GLY 132 Ca -0.17 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 2.81 0.54 0.00 1.61 5.75 -1.26 -4.95 116.55 121.05 2kne n ASP 133 Ca 0.31 -0.30 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 2kne n ASP 133 Cb 0.56 0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.94 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 0.84 3.15 6.12 0.00 -1.26 -4.99 105.19 110.54 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 -0.15 0.77 -0.30 1.61 -0.21 -1.26 -4.79 119.66 115.33 2kne s GLN 135 Ca 0.00 -1.07 -0.11 0.00 0.02 0.00 0.00 55.36 54.20 2kne s GLN 135 Cb 0.00 -0.47 -0.03 0.00 1.00 0.00 0.00 33.01 33.51 2kne s GLN 135 CO 0.00 0.07 0.19 0.08 -2.12 0.00 0.00 175.29 173.51 2kne s VAL 136 N -2.23 5.12 0.81 1.09 1.01 -1.06 -4.91 120.40 120.22 2kne s VAL 136 Ca 0.02 -0.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 2kne s VAL 136 Cb -0.04 -3.51 0.13 0.00 0.00 0.00 0.00 36.38 32.95 2kne s VAL 136 CO -0.00 0.16 1.14 0.20 0.00 0.00 0.00 175.10 176.59 2kne s ASN 137 N 1.72 4.08 0.23 3.32 0.01 -1.26 -1.59 114.94 121.44 2kne s ASN 137 Ca 0.06 0.24 -0.07 0.00 -0.71 0.00 0.00 52.86 52.38 2kne s ASN 137 Cb -0.16 -0.60 0.20 0.00 0.41 0.00 0.00 41.25 41.10 2kne s ASN 137 CO 0.10 -2.09 1.87 0.22 -1.51 0.00 0.00 177.10 175.68 2kne h TYR 138 N -1.00 1.19 -0.49 2.20 3.20 -1.99 -1.62 116.97 118.46 2kne h TYR 138 Ca -0.43 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.41 2kne h TYR 138 Cb 1.28 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 2kne h TYR 138 CO -0.31 0.80 0.24 1.49 -1.64 0.00 0.00 178.16 178.74 2kne h GLU 139 N 1.23 0.71 -0.52 1.82 4.57 -1.98 -1.71 114.58 118.69 2kne h GLU 139 Ca 0.32 -0.10 -0.06 0.00 -1.18 0.00 0.00 59.36 58.33 2kne h GLU 139 Cb -0.02 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.42 2kne h GLU 139 CO -0.06 0.59 0.07 0.93 -1.18 0.00 0.00 179.01 179.37 2kne h GLU 140 N 0.65 0.83 -0.44 1.92 5.08 -1.80 -1.66 114.58 119.16 2kne h GLU 140 Ca 0.17 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2kne h GLU 140 Cb 0.12 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2kne h GLU 140 CO -0.02 0.79 0.25 0.35 -1.00 0.00 0.00 179.01 179.38 2kne h PHE 141 N 0.79 0.60 -0.19 4.33 3.57 -0.88 -2.72 116.94 122.44 2kne h PHE 141 Ca 0.16 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 2kne h PHE 141 Cb 0.37 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 2kne h PHE 141 CO 0.02 0.44 0.02 0.28 -2.23 0.00 0.00 178.31 176.84 2kne h VAL 142 N 0.58 1.23 -0.70 1.41 2.07 -1.06 -2.19 116.25 117.59 2kne h VAL 142 Ca 0.16 -0.76 0.15 0.00 0.82 0.00 0.00 66.70 67.07 2kne h VAL 142 Cb 0.03 1.38 -0.11 0.00 -1.52 0.00 0.00 31.29 31.07 2kne h VAL 142 CO -0.03 0.23 0.12 -0.61 0.02 0.00 0.00 177.57 177.31 2kne h GLN 143 N 0.09 0.21 -0.17 1.57 4.15 -1.18 0.24 115.11 120.03 2kne h GLN 143 Ca 0.06 -0.01 -0.18 0.00 0.77 0.00 0.00 58.65 59.29 2kne h GLN 143 Cb 0.33 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 2kne h GLN 143 CO 0.01 0.14 -0.62 0.52 -1.93 0.00 0.00 178.83 176.95 2kne h MET 144 N 0.22 0.59 -0.15 1.69 2.86 -1.37 0.52 114.93 119.29 2kne h MET 144 Ca 0.39 -0.41 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 2kne h MET 144 Cb 0.66 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.38 2kne h MET 144 CO -0.52 1.03 -0.35 0.52 1.06 0.00 0.00 176.91 178.64 2kne h MET 145 N 0.44 0.50 0.01 1.72 2.86 -0.67 -3.30 114.93 116.50 2kne h MET 145 Ca -0.01 -0.34 -0.25 0.00 -2.06 0.00 0.00 59.70 57.05 2kne h MET 145 Cb 1.18 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.86 2kne h MET 145 CO 0.12 0.95 -1.28 1.15 1.06 0.00 0.00 176.91 178.91 2kne h THR 146 N 0.13 1.38 0.00 2.22 2.02 -0.61 -3.46 112.91 114.59 2kne h THR 146 Ca -0.00 -3.13 -0.71 0.00 0.77 0.00 0.00 66.41 63.34 2kne h THR 146 Cb 0.96 2.70 -0.05 0.00 -1.74 0.00 0.00 68.15 70.03 2kne h THR 146 CO 0.08 0.80 1.35 0.00 0.37 0.00 0.00 175.52 178.12 2kne n ALA 147 N -2.45 0.22 -1.82 6.16 0.00 0.18 -5.07 120.51 117.74 2kne n ALA 147 Ca -0.07 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2kne n ALA 147 Cb 0.99 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2kne n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67