#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 1.89 -4.34 0.00 5.75 -1.26 -4.74 116.55 113.86 2kne n ASP 2 Ca 0.00 -1.72 -0.43 0.00 -0.01 0.00 0.00 54.79 52.63 2kne n ASP 2 Cb 0.00 -0.10 -0.08 0.00 -1.03 0.00 0.00 41.12 39.91 2kne n ASP 2 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2kne s GLN 3 N -1.81 2.86 -0.00 0.11 1.11 -1.26 -4.86 119.66 115.81 2kne s GLN 3 Ca 0.34 -1.46 0.07 0.00 0.01 0.00 0.00 55.36 54.32 2kne s GLN 3 Cb 0.19 -4.06 -0.09 0.00 -1.01 0.00 0.00 33.01 28.04 2kne s GLN 3 CO 0.28 -1.07 0.20 1.28 0.01 0.00 0.00 175.29 176.00 2kne n LEU 4 N 5.12 0.14 -4.74 2.90 4.77 -1.26 -5.00 117.00 118.93 2kne n LEU 4 Ca -0.12 -0.23 -0.41 0.00 -0.03 0.00 0.00 56.01 55.22 2kne n LEU 4 Cb 0.43 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 2kne n LEU 4 CO 0.46 0.04 0.66 0.42 -1.33 0.00 0.00 177.39 177.63 2kne s THR 5 N -2.06 4.31 0.14 -5.08 -4.23 -1.26 -4.95 115.64 102.52 2kne s THR 5 Ca -0.00 2.08 -0.24 0.00 -1.18 0.00 0.00 61.69 62.35 2kne s THR 5 Cb 0.05 -4.33 0.01 0.00 1.34 0.00 0.00 72.50 69.57 2kne s THR 5 CO 0.27 0.40 1.63 -0.08 -0.54 0.00 0.00 174.62 176.29 2kne h GLU 6 N 4.95 -0.29 -0.90 3.99 4.81 -2.02 -1.76 114.58 123.37 2kne h GLU 6 Ca -0.44 0.02 0.31 0.00 -0.13 0.00 0.00 59.36 59.12 2kne h GLU 6 Cb 1.21 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 30.56 2kne h GLU 6 CO 0.70 -0.19 0.58 -0.85 -0.73 0.00 0.00 179.01 178.52 2kne n GLU 7 N -5.38 -0.02 -0.06 1.92 0.28 -1.26 0.29 120.64 116.41 2kne n GLU 7 Ca -0.02 0.81 -0.10 0.00 -0.16 0.00 0.00 57.16 57.69 2kne n GLU 7 Cb 0.30 -1.60 0.05 0.00 1.43 0.00 0.00 31.44 31.61 2kne n GLU 7 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 2kne h GLN 8 N 0.00 0.74 -0.55 3.44 1.08 -1.71 -1.54 115.11 116.57 2kne h GLN 8 Ca 0.57 -0.38 0.03 0.00 -1.45 0.00 0.00 58.65 57.41 2kne h GLN 8 Cb 1.84 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 29.25 2kne h GLN 8 CO -0.30 1.00 0.33 0.82 -0.95 0.00 0.00 178.83 179.73 2kne h ILE 9 N 0.61 1.05 -0.46 2.54 2.04 0.42 -0.39 117.51 123.32 2kne h ILE 9 Ca 0.05 -0.22 0.09 0.00 1.00 0.00 0.00 64.86 65.78 2kne h ILE 9 Cb 0.94 0.35 -0.08 0.00 -0.74 0.00 0.00 36.82 37.29 2kne h ILE 9 CO 0.09 0.12 -0.05 0.00 0.00 0.00 0.00 178.15 178.31 2kne h ALA 10 N 1.25 0.38 -0.33 1.87 0.00 -1.13 -0.03 119.26 121.26 2kne h ALA 10 Ca 0.22 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 2kne h ALA 10 Cb 0.03 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2kne h ALA 10 CO -0.10 -0.42 0.18 0.93 0.00 0.00 0.00 179.25 179.84 2kne h GLU 11 N 0.06 0.46 -0.79 0.00 4.39 -0.48 -2.89 114.58 115.34 2kne h GLU 11 Ca 0.23 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.91 2kne h GLU 11 Cb 0.35 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 2kne h GLU 11 CO -0.42 0.39 0.50 0.74 -1.16 0.00 0.00 179.01 179.05 2kne h PHE 12 N 0.41 0.93 -0.16 4.33 0.04 -0.37 -2.87 116.94 119.26 2kne h PHE 12 Ca 0.12 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.95 2kne h PHE 12 Cb 0.06 -0.31 -0.07 0.00 2.20 0.00 0.00 35.95 37.83 2kne h PHE 12 CO -0.03 0.52 -0.47 -0.22 -0.60 0.00 0.00 178.31 177.52 2kne h LYS 13 N 0.96 -0.49 -0.72 1.51 3.64 -0.80 -0.60 116.57 120.07 2kne h LYS 13 Ca 0.32 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.87 2kne h LYS 13 Cb 0.04 0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 31.88 2kne h LYS 13 CO -0.12 -0.33 0.26 0.93 -2.27 0.00 0.00 179.45 177.92 2kne h GLU 14 N -0.51 0.38 -0.89 1.90 5.08 -1.51 -0.39 114.58 118.64 2kne h GLU 14 Ca 0.07 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.50 2kne h GLU 14 Cb 0.65 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.75 2kne h GLU 14 CO -0.43 0.25 0.58 0.00 -1.00 0.00 0.00 179.01 178.41 2kne h ALA 15 N 1.53 1.62 -0.84 3.43 0.00 -0.96 -2.51 119.26 121.53 2kne h ALA 15 Ca 0.39 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.34 2kne h ALA 15 Cb 0.59 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2kne h ALA 15 CO -0.41 0.21 0.53 0.74 0.00 0.00 0.00 179.25 180.33 2kne h PHE 16 N 0.91 0.99 0.00 0.00 -1.00 0.18 -0.81 116.94 117.22 2kne h PHE 16 Ca 0.41 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.22 2kne h PHE 16 Cb 0.37 -0.33 0.00 0.00 3.61 0.00 0.00 35.95 39.61 2kne h PHE 16 CO -0.00 0.55 0.00 1.03 -1.61 0.00 0.00 178.31 178.28 2kne h SER 17 N 1.01 0.00 -0.54 2.17 0.87 -1.43 -2.30 113.55 113.33 2kne h SER 17 Ca 0.35 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.86 2kne h SER 17 Cb 0.06 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 2kne h SER 17 CO -0.13 0.00 0.16 0.25 -0.53 0.00 0.00 176.83 176.58 2kne h LEU 18 N 0.00 0.79 0.00 2.23 7.12 -1.16 -3.29 115.31 121.00 2kne h LEU 18 Ca 0.00 -0.21 0.00 0.00 0.13 0.00 0.00 57.88 57.80 2kne h LEU 18 Cb 0.17 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 40.10 2kne h LEU 18 CO 0.00 0.79 -1.17 2.22 -0.13 0.00 0.00 178.44 180.15 2kne n PHE 19 N -4.46 0.00 -2.33 1.25 1.16 -1.12 -4.85 117.46 107.11 2kne n PHE 19 Ca 0.02 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.23 2kne n PHE 19 Cb 0.20 -0.16 -0.03 0.00 -1.61 0.00 0.00 39.48 37.88 2kne n PHE 19 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2kne s ASP 20 N -3.06 5.83 0.04 5.98 1.01 -0.88 -4.82 116.67 120.77 2kne s ASP 20 Ca 0.01 -0.61 -0.22 0.00 0.71 0.00 0.00 52.55 52.44 2kne s ASP 20 Cb 0.11 -2.56 -0.14 0.00 1.01 0.00 0.00 42.92 41.34 2kne s ASP 20 CO 0.64 -2.07 1.39 0.11 0.21 0.00 0.00 175.17 175.45 2kne h LYS 21 N 11.34 0.26 -0.60 8.23 1.79 -1.89 -3.26 116.57 132.44 2kne h LYS 21 Ca -0.06 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 2kne h LYS 21 Cb 1.05 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 2kne h LYS 21 CO 1.29 0.59 0.00 -0.40 -1.08 0.00 0.00 179.45 179.86 2kne n ASP 22 N -4.69 4.44 -4.00 0.86 5.75 -1.26 -4.96 116.55 112.68 2kne n ASP 22 Ca -0.06 -2.40 -0.29 0.00 -0.01 0.00 0.00 54.79 52.03 2kne n ASP 22 Cb 0.28 -0.53 -0.08 0.00 -1.03 0.00 0.00 41.12 39.76 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 0.99 -0.19 0.15 6.12 0.00 -1.23 -4.76 105.19 106.28 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 -2.16 0.59 0.00 1.61 5.68 -1.26 -4.90 116.55 116.11 2kne n ASP 24 Ca -0.13 -0.72 0.00 0.00 -0.50 0.00 0.00 54.79 53.44 2kne n ASP 24 Cb 0.50 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 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 1.26 0.93 3.05 6.12 0.00 -1.26 -5.03 105.19 110.26 2kne n GLY 25 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 2kne n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kne s THR 26 N -2.96 0.41 -0.20 2.61 -4.23 -1.26 -4.81 115.64 105.20 2kne s THR 26 Ca 0.00 -1.21 -0.18 0.00 -1.18 0.00 0.00 61.69 59.12 2kne s THR 26 Cb 0.00 -0.73 -0.03 0.00 1.34 0.00 0.00 72.50 73.07 2kne s THR 26 CO 0.00 -0.54 0.48 -0.63 -0.54 0.00 0.00 174.62 173.39 2kne s ILE 27 N -1.93 5.14 0.34 2.99 1.09 -0.96 -4.94 121.20 122.93 2kne s ILE 27 Ca -0.07 0.87 0.09 0.00 -1.10 0.00 0.00 60.65 60.43 2kne s ILE 27 Cb -0.06 -3.80 -0.05 0.00 -1.06 0.00 0.00 42.46 37.49 2kne s ILE 27 CO -0.02 0.20 0.07 0.42 -0.10 0.00 0.00 174.94 175.52 2kne s THR 28 N 1.52 2.75 0.37 2.92 -4.23 -1.26 -2.58 115.64 115.13 2kne s THR 28 Ca 0.22 -1.85 0.05 0.00 -1.18 0.00 0.00 61.69 58.93 2kne s THR 28 Cb -0.15 -2.88 0.28 0.00 1.34 0.00 0.00 72.50 71.09 2kne s THR 28 CO 0.09 -0.18 2.00 0.71 -0.54 0.00 0.00 174.62 176.70 2kne h THR 29 N 1.69 1.09 0.85 3.99 1.35 -1.92 -1.77 112.91 118.18 2kne h THR 29 Ca -0.43 -0.26 -0.04 0.00 -0.55 0.00 0.00 66.41 65.13 2kne h THR 29 Cb 1.25 0.27 0.01 0.00 -1.73 0.00 0.00 68.15 67.95 2kne h THR 29 CO 0.66 0.14 -0.41 0.50 -0.25 0.00 0.00 175.52 176.16 2kne h LYS 30 N 0.75 -1.10 -0.04 4.72 3.64 -1.98 -2.42 116.57 120.14 2kne h LYS 30 Ca 0.25 0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.68 2kne h LYS 30 Cb 0.08 0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2kne h LYS 30 CO -0.07 -0.73 -0.12 1.05 -2.27 0.00 0.00 179.45 177.30 2kne h GLU 31 N -1.17 0.06 0.58 1.90 4.11 -1.89 -2.33 114.58 115.84 2kne h GLU 31 Ca -0.12 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.27 2kne h GLU 31 Cb 0.88 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.12 2kne h GLU 31 CO 0.19 0.19 -0.28 1.25 0.07 0.00 0.00 179.01 180.43 2kne h LEU 32 N 0.06 -0.66 -1.19 3.06 5.85 -1.22 -2.86 115.31 118.35 2kne h LEU 32 Ca 0.01 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2kne h LEU 32 Cb 0.25 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 2kne h LEU 32 CO 0.02 -0.47 0.45 1.23 -0.34 0.00 0.00 178.44 179.34 2kne h GLY 33 N -0.79 1.07 0.88 3.75 0.00 -1.24 -2.71 103.07 104.04 2kne h GLY 33 Ca -0.08 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 2kne h GLY 33 CO 0.13 0.42 -0.16 -0.84 0.00 0.00 0.00 176.54 176.09 2kne h THR 34 N 1.02 0.65 -0.45 4.70 2.02 -1.33 -1.28 112.91 118.24 2kne h THR 34 Ca 0.27 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.49 2kne h THR 34 Cb -0.05 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 2kne h THR 34 CO -0.05 0.00 0.21 0.58 0.37 0.00 0.00 175.52 176.62 2kne h VAL 35 N -0.39 0.93 -1.00 3.16 2.07 -1.26 -1.64 116.25 118.12 2kne h VAL 35 Ca -0.02 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.39 2kne h VAL 35 Cb 0.34 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 2kne h VAL 35 CO 0.00 0.07 0.66 -0.03 0.02 0.00 0.00 177.57 178.30 2kne h MET 36 N 0.41 1.26 -0.98 1.57 -1.53 -1.32 -0.94 114.93 113.39 2kne h MET 36 Ca 0.20 -0.08 0.19 0.00 -3.44 0.00 0.00 59.70 56.58 2kne h MET 36 Cb 0.14 -0.28 -0.09 0.00 -0.55 0.00 0.00 31.60 30.82 2kne h MET 36 CO -0.16 0.83 0.61 -0.09 0.14 0.00 0.00 176.91 178.24 2kne h ARG 37 N 1.29 0.64 0.00 0.39 2.43 -0.26 0.98 114.38 119.85 2kne h ARG 37 Ca 0.39 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.52 2kne h ARG 37 Cb -0.04 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 2kne h ARG 37 CO -0.11 0.43 -0.02 0.66 -1.51 0.00 0.00 179.97 179.41 2kne h SER 38 N 0.66 0.00 0.12 -3.80 4.64 -0.83 0.07 113.55 114.40 2kne h SER 38 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 2kne h SER 38 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2kne h SER 38 CO -0.31 0.02 0.00 -0.11 -0.87 0.00 0.00 176.83 175.56 2kne n LEU 39 N -3.22 0.00 0.00 5.97 0.00 0.34 -4.83 117.00 115.26 2kne n LEU 39 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 56.01 56.08 2kne n LEU 39 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 43.42 43.49 2kne n LEU 39 CO 0.24 -0.03 0.00 0.61 0.00 0.00 0.00 177.39 178.21 2kne n GLY 40 N 0.40 0.63 3.78 -3.96 0.00 0.01 -5.06 105.19 100.99 2kne n GLY 40 Ca 0.14 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 2kne n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kne s GLN 41 N -0.71 2.79 -0.73 1.61 -0.21 -1.23 -5.06 119.66 116.12 2kne s GLN 41 Ca 0.00 -1.05 0.03 0.00 0.02 0.00 0.00 55.36 54.36 2kne s GLN 41 Cb 0.00 -2.52 0.30 0.00 1.00 0.00 0.00 33.01 31.79 2kne s GLN 41 CO 0.00 0.43 1.07 0.09 -2.12 0.00 0.00 175.29 174.75 2kne n ASN 42 N -0.80 4.89 -4.76 5.90 4.13 -1.26 -4.40 115.26 118.95 2kne n ASN 42 Ca -0.08 -3.57 -0.39 0.00 1.68 0.00 0.00 54.58 52.21 2kne n ASN 42 Cb 0.57 -0.77 0.01 0.00 -1.54 0.00 0.00 39.78 38.05 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 -3.17 3.69 0.74 3.52 0.04 -1.26 -5.01 135.00 133.55 2kne s PRO 43 Ca 0.42 2.32 -0.11 0.00 0.04 0.00 0.00 61.00 63.67 2kne s PRO 43 Cb 0.19 -2.63 0.04 0.00 0.04 0.00 0.00 34.50 32.15 2kne s PRO 43 CO -0.06 -0.78 1.11 -0.08 0.04 0.00 0.00 177.00 177.23 2kne s THR 44 N -1.24 2.91 0.20 1.26 -1.32 -1.26 -4.95 115.64 111.24 2kne s THR 44 Ca 0.61 0.25 -0.11 0.00 -1.21 0.00 0.00 61.69 61.23 2kne s THR 44 Cb -0.42 -3.28 0.12 0.00 -1.51 0.00 0.00 72.50 67.41 2kne s THR 44 CO 0.53 -0.37 1.83 -0.08 -2.21 0.00 0.00 174.62 174.32 2kne h GLU 45 N -0.77 0.71 -0.18 7.08 4.81 -2.03 -1.44 114.58 122.77 2kne h GLU 45 Ca -0.45 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 58.79 2kne h GLU 45 Cb 1.28 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2kne h GLU 45 CO 0.64 0.47 0.25 0.00 -0.73 0.00 0.00 179.01 179.65 2kne h ALA 46 N 1.29 1.72 -0.60 2.92 0.00 -2.01 -0.42 119.26 122.15 2kne h ALA 46 Ca 0.26 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 2kne h ALA 46 Cb 0.07 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2kne h ALA 46 CO -0.12 -0.35 0.03 1.49 0.00 0.00 0.00 179.25 180.30 2kne h GLU 47 N 0.00 1.02 -0.88 0.00 4.57 -1.62 -1.81 114.58 115.86 2kne h GLU 47 Ca 0.09 -0.29 0.08 0.00 -1.18 0.00 0.00 59.36 58.05 2kne h GLU 47 Cb 0.59 -0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 29.01 2kne h GLU 47 CO -0.00 0.98 0.54 -0.07 -1.18 0.00 0.00 179.01 179.27 2kne h LEU 48 N 0.94 0.82 0.33 1.64 4.07 -1.15 -1.80 115.31 120.16 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 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.10 2kne h LEU 48 CO 0.02 0.50 -0.16 -0.61 -1.08 0.00 0.00 178.44 177.12 2kne h GLN 49 N 0.95 -0.43 -0.36 1.13 4.15 -1.52 -2.61 115.11 116.41 2kne h GLN 49 Ca 0.40 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.91 2kne h GLN 49 Cb 0.25 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.98 2kne h GLN 49 CO -0.20 -0.12 0.01 -0.44 -1.93 0.00 0.00 178.83 176.16 2kne h ASP 50 N -0.96 -0.12 0.01 -0.69 3.32 -1.25 -1.15 116.42 115.59 2kne h ASP 50 Ca -0.05 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 2kne h ASP 50 Cb 0.51 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2kne h ASP 50 CO 0.07 -0.02 -0.01 0.24 -1.72 0.00 0.00 179.24 177.81 2kne h MET 51 N 0.12 -0.02 -0.25 3.56 2.86 -1.45 -2.89 114.93 116.86 2kne h MET 51 Ca 0.18 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.83 2kne h MET 51 Cb 0.24 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 2kne h MET 51 CO -0.28 0.28 0.15 0.82 1.06 0.00 0.00 176.91 178.93 2kne h ILE 52 N -0.31 1.03 -0.68 -1.22 1.08 -1.38 -2.55 117.51 113.48 2kne h ILE 52 Ca -0.00 -0.11 0.09 0.00 -0.39 0.00 0.00 64.86 64.46 2kne h ILE 52 Cb 0.30 0.70 -0.04 0.00 -3.07 0.00 0.00 36.82 34.70 2kne h ILE 52 CO 0.00 0.06 0.45 0.78 -0.69 0.00 0.00 178.15 178.75 2kne h ASN 53 N 0.31 0.50 -0.62 1.72 2.35 -1.23 0.12 115.58 118.74 2kne h ASN 53 Ca 0.10 0.01 -0.10 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 38.25 2kne h ASN 53 CO -0.04 0.30 0.00 -0.33 -1.65 0.00 0.00 177.43 175.71 2kne h GLU 54 N 0.56 1.09 0.00 0.81 4.39 -1.23 -3.07 114.58 117.13 2kne h GLU 54 Ca 0.31 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2kne h GLU 54 Cb 0.47 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2kne h GLU 54 CO -0.10 1.05 -0.67 0.28 -1.16 0.00 0.00 179.01 178.42 2kne h VAL 55 N 0.99 0.04 -0.95 3.13 2.07 -1.31 -3.43 116.25 116.79 2kne h VAL 55 Ca 0.18 -1.07 -0.58 0.00 0.82 0.00 0.00 66.70 66.04 2kne h VAL 55 Cb 0.56 1.72 -0.08 0.00 -1.52 0.00 0.00 31.29 31.96 2kne h VAL 55 CO 0.03 0.03 1.65 -0.62 0.02 0.00 0.00 177.57 178.68 2kne s ASP 56 N -5.70 6.41 0.28 0.57 2.15 -0.02 -4.84 116.67 115.52 2kne s ASP 56 Ca 0.02 -1.74 -0.03 0.00 0.43 0.00 0.00 52.55 51.23 2kne s ASP 56 Cb 0.08 -2.57 0.37 0.00 -0.30 0.00 0.00 42.92 40.50 2kne s ASP 56 CO 0.75 -1.59 1.87 0.00 -0.17 0.00 0.00 175.17 176.03 2kne h ALA 57 N 9.15 1.26 -0.01 3.66 0.00 -1.85 -2.73 119.26 128.74 2kne h ALA 57 Ca 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.04 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 0.57 -0.09 -0.40 0.00 0.00 0.00 179.25 180.73 2kne n ASP 58 N -4.33 0.76 -1.70 0.00 5.75 -1.26 -4.93 116.55 110.84 2kne n ASP 58 Ca 0.06 -0.92 -0.19 0.00 -0.01 0.00 0.00 54.79 53.73 2kne n ASP 58 Cb 0.14 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.17 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 1.04 0.39 6.12 0.00 -1.03 -4.86 105.19 108.07 2kne n GLY 59 Ca 0.17 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.26 1.19 0.00 1.61 6.94 -1.26 -4.91 115.26 117.57 2kne n ASN 60 Ca -0.20 -1.52 0.00 0.00 -0.02 0.00 0.00 54.58 52.84 2kne n ASN 60 Cb 0.64 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 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 0.85 3.30 4.83 0.00 -1.26 -5.01 105.19 108.99 2kne n GLY 61 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 2kne n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kne s THR 62 N -3.36 0.07 -0.18 2.61 -4.23 -1.26 -4.72 115.64 104.57 2kne s THR 62 Ca 0.00 -1.51 -0.04 0.00 -1.18 0.00 0.00 61.69 58.96 2kne s THR 62 Cb 0.00 -1.89 -0.02 0.00 1.34 0.00 0.00 72.50 71.92 2kne s THR 62 CO 0.00 -0.33 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.10 2kne s ILE 63 N -3.99 3.90 0.37 2.99 -1.09 -1.07 -4.82 121.20 117.50 2kne s ILE 63 Ca 0.19 -0.34 0.05 0.00 -2.23 0.00 0.00 60.65 58.32 2kne s ILE 63 Cb 0.04 -2.74 0.05 0.00 -1.58 0.00 0.00 42.46 38.23 2kne s ILE 63 CO 0.01 0.46 0.44 -0.90 -1.23 0.00 0.00 174.94 173.71 2kne n ASP 64 N 3.97 1.64 0.37 3.58 5.75 -1.26 -2.26 116.55 128.35 2kne n ASP 64 Ca -0.17 -2.08 -0.19 0.00 -0.01 0.00 0.00 54.79 52.34 2kne n ASP 64 Cb 0.52 -0.19 -0.09 0.00 -1.03 0.00 0.00 41.12 40.32 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 0.25 -1.24 -0.65 2.11 3.04 -1.99 -1.83 116.94 116.62 2kne h PHE 65 Ca -0.19 -0.01 0.13 0.00 3.98 0.00 0.00 57.97 61.88 2kne h PHE 65 Cb 0.82 0.45 -0.12 0.00 2.56 0.00 0.00 35.95 39.66 2kne h PHE 65 CO 0.00 -0.67 -0.13 -1.00 -2.02 0.00 0.00 178.31 174.49 2kne h PRO 66 N -1.08 0.02 0.00 6.41 0.13 -2.01 1.23 132.00 136.70 2kne h PRO 66 Ca -0.08 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2kne h PRO 66 Cb 0.89 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2kne h PRO 66 CO 0.05 0.01 0.00 0.93 -0.23 0.00 0.00 178.00 178.77 2kne h GLU 67 N 0.02 0.00 0.23 0.86 5.08 -1.92 -2.71 114.58 116.14 2kne h GLU 67 Ca 0.32 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 2kne h GLU 67 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2kne h GLU 67 CO -0.65 0.00 -0.11 0.35 -1.00 0.00 0.00 179.01 177.60 2kne h PHE 68 N 0.00 -0.28 -0.56 4.33 3.57 0.24 -3.34 116.94 120.90 2kne h PHE 68 Ca 0.00 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.54 2kne h PHE 68 Cb 0.08 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.87 2kne h PHE 68 CO 0.00 -0.05 0.29 -0.07 -2.23 0.00 0.00 178.31 176.26 2kne h LEU 69 N -1.03 0.43 -0.79 0.59 3.38 -1.06 -2.41 115.31 114.41 2kne h LEU 69 Ca -0.03 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.13 2kne h LEU 69 Cb 0.36 -0.06 -0.15 0.00 0.09 0.00 0.00 40.66 40.91 2kne h LEU 69 CO 0.05 0.29 -0.19 0.74 0.09 0.00 0.00 178.44 179.43 2kne h THR 70 N 0.56 0.21 -0.31 0.22 2.02 -1.65 0.18 112.91 114.14 2kne h THR 70 Ca 0.24 -0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.36 2kne h THR 70 Cb 0.14 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 2kne h THR 70 CO -0.16 0.00 -0.05 0.24 0.37 0.00 0.00 175.52 175.92 2kne h MET 71 N 0.00 0.58 -0.96 6.66 2.86 -1.56 -3.06 114.93 119.45 2kne h MET 71 Ca 0.38 -0.21 0.06 0.00 -2.06 0.00 0.00 59.70 57.87 2kne h MET 71 Cb 0.59 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.15 2kne h MET 71 CO -0.81 0.75 0.63 0.52 1.06 0.00 0.00 176.91 179.06 2kne h MET 72 N 0.36 1.10 -0.23 1.72 2.07 -0.58 0.55 114.93 119.92 2kne h MET 72 Ca 0.08 -0.07 -0.10 0.00 -2.07 0.00 0.00 59.70 57.55 2kne h MET 72 Cb 0.52 -0.25 -0.01 0.00 -1.87 0.00 0.00 31.60 29.99 2kne h MET 72 CO 0.03 0.73 -0.28 0.00 1.07 0.00 0.00 176.91 178.46 2kne h ALA 73 N 1.47 1.09 -0.00 6.32 0.00 -1.09 -2.97 119.26 124.08 2kne h ALA 73 Ca 0.41 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kne h ALA 73 Cb 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2kne h ALA 73 CO -0.15 0.57 -0.71 0.54 0.00 0.00 0.00 179.25 179.49 2kne n ARG 74 N -4.11 0.19 -1.86 0.00 1.74 -0.81 -4.56 116.66 107.25 2kne n ARG 74 Ca -0.01 -0.14 -0.41 0.00 -0.77 0.00 0.00 57.85 56.52 2kne n ARG 74 Cb 0.42 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.35 2kne n ARG 74 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2kne n LYS 75 N -1.28 3.89 -0.49 5.56 3.00 0.19 -4.48 118.16 124.55 2kne n LYS 75 Ca 0.06 -3.03 0.08 0.00 -0.00 0.00 0.00 58.31 55.41 2kne n LYS 75 Cb 0.35 -2.84 0.28 0.00 0.00 0.00 0.00 35.03 32.82 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 3.33 3.36 -1.57 1.64 2.81 -1.26 -4.95 117.12 120.47 2kne n MET 76 Ca 0.60 -2.76 -0.48 0.00 -1.81 0.00 0.00 57.70 53.25 2kne n MET 76 Cb 0.29 -1.81 -0.04 0.00 -0.71 0.00 0.00 33.22 30.95 2kne n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2kne n LYS 77 N 0.13 1.14 -2.99 0.03 3.00 -1.26 -4.89 118.16 113.31 2kne n LYS 77 Ca 0.21 0.41 -0.43 0.00 -0.00 0.00 0.00 58.31 58.50 2kne n LYS 77 Cb 0.85 -1.88 -0.06 0.00 0.00 0.00 0.00 35.03 33.95 2kne n LYS 77 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2kne s ASP 78 N -0.07 6.36 -0.27 3.14 -1.08 -1.26 -5.02 116.67 118.47 2kne s ASP 78 Ca 0.72 -0.28 -0.17 0.00 -0.52 0.00 0.00 52.55 52.31 2kne s ASP 78 Cb -0.84 -2.37 -0.03 0.00 -1.46 0.00 0.00 42.92 38.22 2kne s ASP 78 CO 0.53 -0.93 0.46 -0.89 0.52 0.00 0.00 175.17 174.86 2kne s THR 79 N 3.23 5.11 -0.24 1.71 2.01 -1.26 -5.01 115.64 121.18 2kne s THR 79 Ca 0.27 0.72 -0.29 0.00 0.31 0.00 0.00 61.69 62.71 2kne s THR 79 Cb -0.13 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 2kne s THR 79 CO 0.20 0.10 1.79 -0.62 -0.69 0.00 0.00 174.62 175.40 2kne s ASP 80 N 1.60 6.09 0.58 3.53 -1.08 -1.26 -4.79 116.67 121.34 2kne s ASP 80 Ca 0.19 1.63 0.00 0.00 -0.52 0.00 0.00 52.55 53.85 2kne s ASP 80 Cb -0.16 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 2kne s ASP 80 CO 0.10 -1.50 0.88 -1.20 0.52 0.00 0.00 175.17 173.98 2kne n SER 81 N 9.46 0.00 0.11 -0.34 7.64 -1.26 0.13 113.62 129.36 2kne n SER 81 Ca 0.22 0.44 -0.03 0.00 1.01 0.00 0.00 58.87 60.51 2kne n SER 81 Cb 0.45 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.80 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 0.13 -1.00 1.43 5.08 -2.01 -3.24 114.58 114.96 2kne h GLU 82 Ca 0.00 -0.09 0.21 0.00 -1.00 0.00 0.00 59.36 58.48 2kne h GLU 82 Cb 1.77 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.92 2kne h GLU 82 CO 0.00 0.70 0.61 1.49 -1.00 0.00 0.00 179.01 180.81 2kne h GLU 83 N 0.10 0.63 0.00 2.33 4.81 0.77 0.73 114.58 123.95 2kne h GLU 83 Ca -0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2kne h GLU 83 Cb 1.10 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.34 2kne h GLU 83 CO 0.09 0.42 -0.53 -0.85 -0.73 0.00 0.00 179.01 177.41 2kne n GLU 84 N -4.76 0.06 0.00 1.92 0.28 -1.22 -3.89 120.64 113.03 2kne n GLU 84 Ca 0.24 0.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.26 2kne n GLU 84 Cb 0.66 -1.54 0.00 0.00 1.43 0.00 0.00 31.44 31.99 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 -1.62 0.00 -0.30 3.84 2.08 0.25 -1.31 119.36 122.29 2kne n ILE 85 Ca 0.05 1.15 -0.05 0.00 0.56 0.00 0.00 62.75 64.46 2kne n ILE 85 Cb 0.36 -2.09 0.07 0.00 -0.75 0.00 0.00 39.64 37.23 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 1.16 -0.77 0.38 3.08 -1.78 -2.93 114.38 113.51 2kne h ARG 86 Ca 0.00 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 2kne h ARG 86 Cb 0.00 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 29.80 2kne h ARG 86 CO 0.00 0.87 0.40 0.93 -1.07 0.00 0.00 179.97 181.11 2kne h GLU 87 N 1.15 1.09 0.00 0.04 5.08 -1.68 -1.70 114.58 118.55 2kne h GLU 87 Ca 0.28 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2kne h GLU 87 Cb 0.08 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 2kne h GLU 87 CO -0.04 0.83 -0.01 0.00 -1.00 0.00 0.00 179.01 178.79 2kne h ALA 88 N 1.21 1.11 -0.02 3.43 0.00 -1.01 -2.38 119.26 121.60 2kne h ALA 88 Ca 0.27 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 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 -0.13 0.35 0.00 0.00 0.00 179.25 179.44 2kne h PHE 89 N 0.00 0.17 -0.97 0.00 3.57 -1.27 -3.10 116.94 115.35 2kne h PHE 89 Ca -0.00 -0.08 0.11 0.00 3.53 0.00 0.00 57.97 61.53 2kne h PHE 89 Cb 0.08 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.71 2kne h PHE 89 CO 0.00 0.79 0.60 0.00 -2.23 0.00 0.00 178.31 177.47 2kne h ARG 90 N -0.50 0.94 -0.39 1.11 3.08 -1.35 0.26 114.38 117.53 2kne h ARG 90 Ca -0.01 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 2kne h ARG 90 Cb 0.81 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 2kne h ARG 90 CO 0.03 0.62 0.04 0.28 -1.07 0.00 0.00 179.97 179.87 2kne h VAL 91 N 0.97 1.25 -0.38 2.04 2.07 -1.62 -3.07 116.25 117.50 2kne h VAL 91 Ca 0.47 -0.91 -0.14 0.00 0.82 0.00 0.00 66.70 66.94 2kne h VAL 91 Cb 0.43 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2kne h VAL 91 CO -0.25 0.31 -0.32 -0.26 0.02 0.00 0.00 177.57 177.06 2kne h PHE 92 N 0.50 1.00 -1.64 1.57 -1.00 -1.23 -3.31 116.94 112.83 2kne h PHE 92 Ca 0.12 -0.27 -0.71 0.00 2.81 0.00 0.00 57.97 59.92 2kne h PHE 92 Cb 0.40 -0.22 -0.14 0.00 3.61 0.00 0.00 35.95 39.60 2kne h PHE 92 CO 0.03 1.06 1.66 0.34 -1.61 0.00 0.00 178.31 179.78 2kne s ASP 93 N -6.80 6.93 0.11 2.17 -1.08 0.82 -4.59 116.67 114.23 2kne s ASP 93 Ca -0.10 -2.67 -0.21 0.00 -0.52 0.00 0.00 52.55 49.06 2kne s ASP 93 Cb 0.12 -2.48 -0.07 0.00 -1.46 0.00 0.00 42.92 39.03 2kne s ASP 93 CO 0.86 -0.96 1.74 0.50 0.52 0.00 0.00 175.17 177.83 2kne h LYS 94 N 7.53 0.07 -0.21 4.34 3.64 -1.70 -2.63 116.57 127.60 2kne h LYS 94 Ca 0.35 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2kne h LYS 94 Cb 0.89 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2kne h LYS 94 CO 1.33 0.05 0.00 -0.40 -2.27 0.00 0.00 179.45 178.16 2kne n ASP 95 N -5.09 1.97 -3.84 4.20 5.68 -1.26 -4.94 116.55 113.27 2kne n ASP 95 Ca -0.04 -1.78 -0.25 0.00 -0.50 0.00 0.00 54.79 52.23 2kne n ASP 95 Cb 0.07 -0.14 0.01 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 -0.30 0.62 6.12 0.00 -0.99 -4.85 105.19 106.98 2kne n GLY 96 Ca 0.16 0.14 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 -2.98 1.85 0.00 1.61 0.23 -1.26 -4.89 115.26 109.82 2kne n ASN 97 Ca -0.24 -1.82 0.00 0.00 -0.53 0.00 0.00 54.58 51.99 2kne n ASN 97 Cb 0.65 -0.16 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 2kne n ASN 97 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kne n GLY 98 N 1.13 0.80 3.11 4.83 0.00 -1.26 -5.02 105.19 108.78 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 -3.09 0.27 -0.34 1.61 1.51 -1.26 -4.58 117.35 111.47 2kne s TYR 99 Ca 0.00 -0.64 -0.18 0.00 -1.01 0.00 0.00 57.07 55.24 2kne s TYR 99 Cb 0.00 -0.19 -0.01 0.00 -0.11 0.00 0.00 41.96 41.65 2kne s TYR 99 CO 0.00 -0.37 0.49 0.42 -1.11 0.00 0.00 175.55 174.98 2kne s ILE 100 N -2.95 5.04 0.28 2.71 1.01 -0.50 -4.67 121.20 122.12 2kne s ILE 100 Ca -0.02 0.34 -0.11 0.00 0.00 0.00 0.00 60.65 60.86 2kne s ILE 100 Cb 0.01 -3.93 -0.07 0.00 0.01 0.00 0.00 42.46 38.47 2kne s ILE 100 CO -0.06 -0.17 0.63 -0.55 0.00 0.00 0.00 174.94 174.78 2kne s SER 101 N 1.74 6.63 0.17 3.58 0.15 -1.26 -2.55 113.70 122.16 2kne s SER 101 Ca 0.18 1.02 -0.14 0.00 0.70 0.00 0.00 55.95 57.71 2kne s SER 101 Cb -0.16 -2.27 0.10 0.00 -1.71 0.00 0.00 66.02 61.99 2kne s SER 101 CO 0.13 -0.16 1.77 0.00 1.20 0.00 0.00 173.24 176.18 2kne h ALA 102 N 2.21 0.55 -0.97 5.45 0.00 -1.97 -1.67 119.26 122.85 2kne h ALA 102 Ca -0.47 0.03 0.14 0.00 0.00 0.00 0.00 54.91 54.61 2kne h ALA 102 Cb 1.18 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 2kne h ALA 102 CO 0.67 -0.16 0.59 0.00 0.00 0.00 0.00 179.25 180.34 2kne h ALA 103 N 1.25 1.49 -0.60 0.00 0.00 -2.00 0.08 119.26 119.48 2kne h ALA 103 Ca 0.19 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 2kne h ALA 103 Cb 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2kne h ALA 103 CO -0.15 0.10 0.09 0.93 0.00 0.00 0.00 179.25 180.22 2kne h GLU 104 N 0.86 1.00 -0.43 0.00 5.08 -1.65 -3.02 114.58 116.42 2kne h GLU 104 Ca 0.51 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2kne h GLU 104 Cb 0.61 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2kne h GLU 104 CO -0.31 0.94 0.17 1.25 -1.00 0.00 0.00 179.01 180.07 2kne h LEU 105 N 0.90 0.60 -0.91 1.33 5.85 -0.23 -3.00 115.31 119.84 2kne h LEU 105 Ca 0.18 -0.17 0.26 0.00 0.84 0.00 0.00 57.88 58.99 2kne h LEU 105 Cb 0.43 -0.15 -0.15 0.00 0.37 0.00 0.00 40.66 41.16 2kne h LEU 105 CO 0.01 0.60 0.26 -0.09 -0.34 0.00 0.00 178.44 178.89 2kne h ARG 106 N 0.56 0.18 0.00 1.25 2.43 -1.02 0.81 114.38 118.59 2kne h ARG 106 Ca 0.14 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2kne h ARG 106 Cb 0.19 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2kne h ARG 106 CO -0.01 0.12 -0.14 1.25 -1.51 0.00 0.00 179.97 179.68 2kne h HIS 107 N 0.19 0.00 -0.89 2.20 2.76 -1.57 -2.75 115.15 115.09 2kne h HIS 107 Ca 0.59 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.82 2kne h HIS 107 Cb 1.25 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.15 2kne h HIS 107 CO -0.25 0.14 0.56 0.28 -1.30 0.00 0.00 177.93 177.37 2kne h VAL 108 N 0.00 1.08 -0.70 5.26 2.07 0.60 -2.47 116.25 122.09 2kne h VAL 108 Ca -0.00 -0.36 0.14 0.00 0.82 0.00 0.00 66.70 67.30 2kne h VAL 108 Cb 0.25 -0.06 -0.10 0.00 -1.52 0.00 0.00 31.29 29.87 2kne h VAL 108 CO 0.02 0.19 0.21 0.24 0.02 0.00 0.00 177.57 178.25 2kne h MET 109 N 1.05 0.32 -0.89 1.57 2.07 -1.49 -1.00 114.93 116.55 2kne h MET 109 Ca 0.38 -0.02 0.07 0.00 -2.07 0.00 0.00 59.70 58.06 2kne h MET 109 Cb 0.12 -0.07 -0.07 0.00 -1.87 0.00 0.00 31.60 29.71 2kne h MET 109 CO -0.16 0.21 0.55 1.15 1.07 0.00 0.00 176.91 179.74 2kne h THR 110 N 0.33 1.02 -0.50 2.22 2.02 -1.58 0.51 112.91 116.93 2kne h THR 110 Ca 0.38 -0.34 -0.09 0.00 0.77 0.00 0.00 66.41 67.14 2kne h THR 110 Cb 0.61 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 2kne h THR 110 CO -0.44 0.18 -0.03 0.78 0.37 0.00 0.00 175.52 176.38 2kne h ASN 111 N 0.98 0.90 1.56 4.18 2.35 -1.19 -2.98 115.58 121.39 2kne h ASN 111 Ca 0.40 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2kne h ASN 111 Cb 0.22 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2kne h ASN 111 CO -0.19 1.00 -0.07 -0.07 -1.65 0.00 0.00 177.43 176.45 2kne h LEU 112 N 0.77 0.00 0.63 1.61 3.38 -0.69 -3.47 115.31 117.53 2kne h LEU 112 Ca 0.14 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 2kne h LEU 112 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2kne h LEU 112 CO 0.03 0.01 -0.13 0.61 0.09 0.00 0.00 178.44 179.05 2kne n GLY 113 N 1.25 0.19 0.13 0.83 0.00 0.17 -4.94 105.19 102.82 2kne n GLY 113 Ca 0.05 -0.67 0.06 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.03 0.00 -6.59 1.61 5.08 -1.74 -3.48 114.58 109.43 2kne h GLU 114 Ca -0.12 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.73 2kne h GLU 114 Cb 1.09 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.37 2kne h GLU 114 CO 0.14 0.22 -0.97 1.17 -1.00 0.00 0.00 179.01 178.57 2kne n LYS 115 N -2.97 -0.73 -2.80 2.33 3.00 -1.26 -4.91 118.16 110.83 2kne n LYS 115 Ca -0.02 0.28 -0.35 0.00 -0.00 0.00 0.00 58.31 58.23 2kne n LYS 115 Cb 0.68 -3.28 -0.07 0.00 0.00 0.00 0.00 35.03 32.37 2kne n LYS 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2kne s LEU 116 N -6.91 4.14 0.87 3.14 1.43 -1.26 -5.08 118.68 115.01 2kne s LEU 116 Ca 0.47 1.77 -0.12 0.00 -1.03 0.00 0.00 54.13 55.21 2kne s LEU 116 Cb -0.22 -4.28 0.15 0.00 0.03 0.00 0.00 46.19 41.87 2kne s LEU 116 CO 0.92 -0.22 1.22 0.42 0.23 0.00 0.00 176.35 178.92 2kne s THR 117 N -1.90 2.05 0.19 5.49 -4.23 -1.26 -4.85 115.64 111.13 2kne s THR 117 Ca 0.56 -0.10 -0.11 0.00 -1.18 0.00 0.00 61.69 60.86 2kne s THR 117 Cb -0.14 -2.95 0.11 0.00 1.34 0.00 0.00 72.50 70.86 2kne s THR 117 CO 0.18 0.00 1.80 0.44 -0.54 0.00 0.00 174.62 176.51 2kne h ASP 118 N -1.27 0.49 -0.35 3.99 3.32 -1.99 -1.03 116.42 119.57 2kne h ASP 118 Ca -0.44 0.02 0.04 0.00 0.02 0.00 0.00 57.03 56.68 2kne h ASP 118 Cb 1.27 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 2kne h ASP 118 CO 0.47 0.33 0.10 -0.33 -1.72 0.00 0.00 179.24 178.09 2kne h GLU 119 N 0.62 0.23 0.00 3.56 3.07 -2.00 -1.73 114.58 118.33 2kne h GLU 119 Ca 0.25 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 59.00 2kne h GLU 119 Cb 0.12 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 2kne h GLU 119 CO -0.15 0.15 -0.48 0.93 -1.40 0.00 0.00 179.01 178.06 2kne h GLU 120 N 0.24 0.00 -0.58 2.33 4.39 -1.84 -0.77 114.58 118.35 2kne h GLU 120 Ca 0.16 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 2kne h GLU 120 Cb 0.16 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2kne h GLU 120 CO -0.18 0.48 0.19 0.28 -1.16 0.00 0.00 179.01 178.61 2kne h VAL 121 N 0.00 1.24 -0.08 3.13 2.07 -0.55 -2.20 116.25 119.86 2kne h VAL 121 Ca -0.00 -0.80 -0.19 0.00 0.82 0.00 0.00 66.70 66.53 2kne h VAL 121 Cb 0.94 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2kne h VAL 121 CO 0.06 0.30 -0.74 0.44 0.02 0.00 0.00 177.57 177.66 2kne h ASP 122 N 0.81 0.49 0.11 0.57 3.32 -1.17 -3.23 116.42 117.32 2kne h ASP 122 Ca 0.19 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 2kne h ASP 122 Cb 0.27 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 2kne h ASP 122 CO -0.01 1.06 -0.07 -0.08 -1.72 0.00 0.00 179.24 178.43 2kne h GLU 123 N 0.28 -0.17 -0.65 3.56 4.81 -0.76 -2.22 114.58 119.43 2kne h GLU 123 Ca -0.03 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.28 2kne h GLU 123 Cb 1.31 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.67 2kne h GLU 123 CO 0.13 -0.11 0.33 0.52 -0.73 0.00 0.00 179.01 179.15 2kne h MET 124 N -0.17 0.59 -0.66 1.92 2.86 -1.50 -2.02 114.93 115.95 2kne h MET 124 Ca -0.01 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.62 2kne h MET 124 Cb 0.14 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 2kne h MET 124 CO 0.01 0.39 0.41 0.82 1.06 0.00 0.00 176.91 179.61 2kne h ILE 125 N 0.61 1.09 -0.96 -1.22 1.08 -1.52 -2.03 117.51 114.56 2kne h ILE 125 Ca 0.30 -0.28 0.04 0.00 -0.39 0.00 0.00 64.86 64.53 2kne h ILE 125 Cb 0.24 0.21 -0.06 0.00 -3.07 0.00 0.00 36.82 34.14 2kne h ILE 125 CO -0.21 0.15 0.63 -0.09 -0.69 0.00 0.00 178.15 177.94 2kne h ARG 126 N 0.81 1.17 -0.93 2.37 2.43 -0.75 0.43 114.38 119.92 2kne h ARG 126 Ca 0.27 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.43 2kne h ARG 126 Cb 0.01 -0.26 -0.06 0.00 -0.42 0.00 0.00 29.97 29.23 2kne h ARG 126 CO -0.10 0.78 0.59 0.93 -1.51 0.00 0.00 179.97 180.65 2kne h GLU 127 N 1.21 1.05 0.00 0.20 5.08 -0.99 -2.70 114.58 118.43 2kne h GLU 127 Ca 0.38 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2kne h GLU 127 Cb 0.02 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 2kne h GLU 127 CO -0.12 0.69 -1.15 0.00 -1.00 0.00 0.00 179.01 177.43 2kne n ALA 128 N -2.36 2.54 -2.21 3.43 0.00 -0.97 -4.77 120.51 116.18 2kne n ALA 128 Ca 0.14 -0.28 -0.31 0.00 0.00 0.00 0.00 53.44 52.98 2kne n ALA 128 Cb 0.17 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.52 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 -5.26 5.56 0.28 0.00 2.15 0.10 -4.75 116.67 114.76 2kne s ASP 129 Ca -0.02 -1.15 0.25 0.00 0.43 0.00 0.00 52.55 52.06 2kne s ASP 129 Cb 0.10 -2.57 1.01 0.00 -0.30 0.00 0.00 42.92 41.16 2kne s ASP 129 CO 0.81 -2.40 1.74 -0.29 -0.17 0.00 0.00 175.17 174.86 2kne h ILE 130 N 6.85 0.00 -3.60 4.11 2.10 -1.86 -3.43 117.51 121.68 2kne h ILE 130 Ca 0.17 -0.27 -0.18 0.00 1.08 0.00 0.00 64.86 65.65 2kne h ILE 130 Cb 0.99 1.04 -0.24 0.00 -1.09 0.00 0.00 36.82 37.52 2kne h ILE 130 CO 1.28 0.00 -0.60 1.51 -1.08 0.00 0.00 178.15 179.27 2kne s ASP 131 N -4.40 0.01 -0.22 2.19 -4.77 -1.26 -5.06 116.67 103.15 2kne s ASP 131 Ca 0.04 -0.06 -0.04 0.00 -3.30 0.00 0.00 52.55 49.19 2kne s ASP 131 Cb 0.09 0.18 -0.14 0.00 -1.09 0.00 0.00 42.92 41.96 2kne s ASP 131 CO 0.42 -0.18 2.35 0.61 0.70 0.00 0.00 175.17 179.06 2kne n GLY 132 N 2.30 2.44 0.04 2.12 0.00 -1.26 -4.18 105.19 106.65 2kne n GLY 132 Ca -0.18 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.19 2kne n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kne n ASP 133 N 3.02 0.63 0.00 1.61 5.75 -1.26 -4.95 116.55 121.35 2kne n ASP 133 Ca 0.31 -0.41 0.00 0.00 -0.01 0.00 0.00 54.79 54.68 2kne n ASP 133 Cb 0.46 0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.84 2kne n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 134 N 1.48 0.78 3.13 6.12 0.00 -1.26 -4.99 105.19 110.44 2kne n GLY 134 Ca 0.06 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 1.20 0.00 0.00 0.00 173.32 174.52 2kne s GLN 135 N -0.20 0.73 -0.30 1.61 -0.21 -1.26 -4.78 119.66 115.24 2kne s GLN 135 Ca 0.00 -1.03 -0.12 0.00 0.02 0.00 0.00 55.36 54.23 2kne s GLN 135 Cb 0.00 -0.41 -0.04 0.00 1.00 0.00 0.00 33.01 33.56 2kne s GLN 135 CO 0.00 0.06 0.22 0.08 -2.12 0.00 0.00 175.29 173.53 2kne s VAL 136 N -2.19 5.29 0.81 1.09 1.01 -1.06 -4.91 120.40 120.44 2kne s VAL 136 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 2kne s VAL 136 Cb -0.04 -3.61 0.13 0.00 0.00 0.00 0.00 36.38 32.86 2kne s VAL 136 CO -0.01 0.15 1.13 0.21 0.00 0.00 0.00 175.10 176.59 2kne s ASN 137 N 1.74 4.08 0.23 3.32 2.47 -1.26 -1.41 114.94 124.10 2kne s ASN 137 Ca 0.07 0.24 -0.08 0.00 0.42 0.00 0.00 52.86 53.51 2kne s ASN 137 Cb -0.16 -0.60 0.20 0.00 -1.45 0.00 0.00 41.25 39.24 2kne s ASN 137 CO 0.11 -2.09 1.87 0.22 -3.72 0.00 0.00 177.10 173.49 2kne h TYR 138 N -1.00 1.16 -0.49 0.43 3.20 -1.99 -1.35 116.97 116.93 2kne h TYR 138 Ca -0.43 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.42 2kne h TYR 138 Cb 1.28 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 2kne h TYR 138 CO -0.31 0.78 0.27 1.49 -1.64 0.00 0.00 178.16 178.74 2kne h GLU 139 N 1.20 0.68 -0.39 1.82 4.81 -1.98 -1.94 114.58 118.78 2kne h GLU 139 Ca 0.31 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 2kne h GLU 139 Cb -0.03 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 2kne h GLU 139 CO -0.06 0.54 -0.03 0.93 -0.73 0.00 0.00 179.01 179.66 2kne h GLU 140 N 0.65 0.64 -0.50 1.92 5.08 -1.79 -2.16 114.58 118.42 2kne h GLU 140 Ca 0.17 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2kne h GLU 140 Cb 0.05 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2kne h GLU 140 CO -0.03 0.68 0.31 0.35 -1.00 0.00 0.00 179.01 179.32 2kne h PHE 141 N 0.60 0.66 -0.20 4.33 3.57 -0.74 -2.72 116.94 122.44 2kne h PHE 141 Ca 0.12 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2kne h PHE 141 Cb 0.43 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 2kne h PHE 141 CO 0.02 0.45 0.04 0.28 -2.23 0.00 0.00 178.31 176.87 2kne h VAL 142 N 0.68 1.22 -0.97 1.41 2.07 -1.09 -2.14 116.25 117.42 2kne h VAL 142 Ca 0.18 -0.73 0.22 0.00 0.82 0.00 0.00 66.70 67.19 2kne h VAL 142 Cb -0.02 1.31 -0.12 0.00 -1.52 0.00 0.00 31.29 30.95 2kne h VAL 142 CO -0.03 0.23 0.55 -0.61 0.02 0.00 0.00 177.57 177.72 2kne h GLN 143 N 0.14 0.58 -0.05 1.57 4.15 -1.23 0.09 115.11 120.35 2kne h GLN 143 Ca 0.06 -0.03 -0.24 0.00 0.77 0.00 0.00 58.65 59.21 2kne h GLN 143 Cb 0.31 -0.13 0.01 0.00 0.21 0.00 0.00 27.48 27.88 2kne h GLN 143 CO 0.00 0.38 -0.91 0.52 -1.93 0.00 0.00 178.83 176.89 2kne h MET 144 N 0.59 0.64 -0.01 1.69 2.86 -1.25 -3.13 114.93 116.33 2kne h MET 144 Ca 0.60 -0.62 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2kne h MET 144 Cb 1.07 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.89 2kne h MET 144 CO -0.46 1.23 0.00 -1.33 1.06 0.00 0.00 176.91 177.41 2kne n MET 145 N -3.86 1.05 -0.28 1.72 2.81 -0.51 -4.18 117.12 113.88 2kne n MET 145 Ca -0.08 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.73 2kne n MET 145 Cb 0.81 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 32.04 2kne n MET 145 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 2kne n THR 146 N -0.70 1.51 0.00 2.03 5.66 -0.10 -4.72 114.28 117.97 2kne n THR 146 Ca 0.13 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 2kne n THR 146 Cb 0.08 -1.27 0.00 0.00 -1.55 0.00 0.00 70.33 67.59 2kne n THR 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kne n ALA 147 N 1.11 0.00 1.86 1.79 0.00 -1.26 -5.09 120.51 118.92 2kne n ALA 147 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2kne n ALA 147 Cb 0.48 0.00 0.83 0.00 0.00 0.00 0.00 19.45 20.75 2kne n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67