#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk1 n GLY 2 N 0.00 -0.58 0.00 3.03 0.00 -1.26 -4.88 105.19 101.50 2kk1 n GLY 2 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 2kk1 n GLY 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kk1 n HIS 3 N -0.56 0.00 0.20 1.61 -0.00 -1.26 -4.83 115.22 110.37 2kk1 n HIS 3 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.74 2kk1 n HIS 3 Cb 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 29.99 30.10 2kk1 n HIS 3 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kk1 n HIS 4 N -0.13 0.00 -0.88 1.57 -0.00 -1.26 -1.35 115.22 113.16 2kk1 n HIS 4 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.73 2kk1 n HIS 4 Cb 0.04 -0.30 0.01 0.00 -0.00 0.00 0.00 29.99 29.74 2kk1 n HIS 4 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kk1 n HIS 5 N -1.30 0.00 -4.00 1.57 -0.00 -1.26 -5.05 115.22 105.17 2kk1 n HIS 5 Ca 0.02 -0.19 -0.34 0.00 -0.00 0.00 0.00 57.72 57.21 2kk1 n HIS 5 Cb 0.04 -0.03 -0.15 0.00 -0.00 0.00 0.00 29.99 29.85 2kk1 n HIS 5 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kk1 s HIS 6 N -0.43 2.90 0.00 1.57 4.02 -0.46 -4.84 115.29 118.05 2kk1 s HIS 6 Ca 0.02 -1.29 0.00 0.00 1.02 0.00 0.00 55.06 54.81 2kk1 s HIS 6 Cb 0.02 -2.03 0.00 0.00 -1.02 0.00 0.00 32.58 29.55 2kk1 s HIS 6 CO 0.00 -0.67 0.14 -2.39 1.02 0.00 0.00 174.74 172.84 2kk1 n HIS 7 N 4.71 0.00 -3.86 1.40 1.44 -1.26 -4.99 115.22 112.66 2kk1 n HIS 7 Ca -0.19 -0.06 -0.29 0.00 -2.01 0.00 0.00 57.72 55.17 2kk1 n HIS 7 Cb 0.50 0.26 -0.16 0.00 0.12 0.00 0.00 29.99 30.71 2kk1 n HIS 7 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kk1 s HIS 8 N 0.00 1.89 0.57 -1.40 5.65 -1.26 -5.13 115.29 115.60 2kk1 s HIS 8 Ca 0.00 -1.43 -0.02 0.00 0.25 0.00 0.00 55.06 53.86 2kk1 s HIS 8 Cb 0.00 -1.38 0.02 0.00 -1.18 0.00 0.00 32.58 30.05 2kk1 s HIS 8 CO 0.00 -0.71 0.83 -1.12 -0.65 0.00 0.00 174.74 173.09 2kk1 s SER 9 N 1.57 5.42 -0.03 9.88 0.01 -1.26 -5.12 113.70 124.16 2kk1 s SER 9 Ca -0.04 0.36 -0.29 0.00 1.31 0.00 0.00 55.95 57.28 2kk1 s SER 9 Cb -0.18 -1.32 0.08 0.00 0.21 0.00 0.00 66.02 64.81 2kk1 s SER 9 CO -0.07 -1.10 0.74 -1.38 0.41 0.00 0.00 173.24 171.85 2kk1 s HIS 10 N -2.87 -0.56 -0.84 2.43 -3.43 -1.26 -5.10 115.29 103.67 2kk1 s HIS 10 Ca 0.55 0.83 -0.25 0.00 -0.80 0.00 0.00 55.06 55.38 2kk1 s HIS 10 Cb -0.10 0.45 -0.07 0.00 -1.43 0.00 0.00 32.58 31.43 2kk1 s HIS 10 CO 0.41 -0.59 2.06 -1.64 -2.00 0.00 0.00 174.74 172.98 2kk1 s MET 11 N -1.76 2.32 -0.16 -0.38 1.00 -1.26 -4.94 119.30 114.12 2kk1 s MET 11 Ca -0.06 0.01 -0.05 0.00 0.00 0.00 0.00 55.69 55.58 2kk1 s MET 11 Cb -0.00 -4.93 -0.03 0.00 0.00 0.00 0.00 34.83 29.86 2kk1 s MET 11 CO 0.03 -3.58 0.02 0.00 0.00 0.00 0.00 175.02 171.49 2kk1 s ALA 12 N 11.16 3.25 0.11 3.03 0.00 -1.26 -5.10 121.76 132.96 2kk1 s ALA 12 Ca 0.76 -0.78 -0.10 0.00 0.00 0.00 0.00 51.96 51.84 2kk1 s ALA 12 Cb -0.09 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.30 2kk1 s ALA 12 CO 0.04 0.26 0.25 0.54 0.00 0.00 0.00 175.76 176.84 2kk1 s ASN 13 N 0.17 0.04 0.00 0.00 2.20 -1.26 -5.13 114.94 110.95 2kk1 s ASN 13 Ca 0.02 -0.64 0.00 0.00 -0.94 0.00 0.00 52.86 51.30 2kk1 s ASN 13 Cb -0.13 0.39 0.00 0.00 -2.00 0.00 0.00 41.25 39.51 2kk1 s ASN 13 CO 0.01 -0.79 0.00 0.61 -2.94 0.00 0.00 177.10 173.99 2kk1 n GLY 14 N -0.13 2.19 3.55 0.45 0.00 -1.26 -4.92 105.19 105.08 2kk1 n GLY 14 Ca -0.13 -1.37 -0.21 0.00 0.00 0.00 0.00 46.02 44.31 2kk1 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk1 n ALA 15 N 2.38 0.49 -3.19 4.61 0.00 -1.26 -4.80 120.51 118.74 2kk1 n ALA 15 Ca 0.00 -1.24 -0.14 0.00 0.00 0.00 0.00 53.44 52.07 2kk1 n ALA 15 Cb 0.00 -3.23 -0.05 0.00 0.00 0.00 0.00 19.45 16.16 2kk1 n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kk1 s ALA 16 N 13.69 -0.66 -0.12 0.00 0.00 -1.26 -5.04 121.76 128.37 2kk1 s ALA 16 Ca 0.96 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.82 2kk1 s ALA 16 Cb -0.17 -2.20 -0.10 0.00 0.00 0.00 0.00 23.12 20.65 2kk1 s ALA 16 CO 0.15 -2.14 2.95 0.41 0.00 0.00 0.00 175.76 177.13 2kk1 n GLY 17 N 3.56 3.26 0.34 0.00 0.00 -1.26 -4.51 105.19 106.59 2kk1 n GLY 17 Ca 0.18 -1.06 0.06 0.00 0.00 0.00 0.00 46.02 45.19 2kk1 n GLY 17 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2kk1 h THR 18 N 1.68 1.05 -0.03 2.61 2.02 -1.99 -0.05 112.91 118.21 2kk1 h THR 18 Ca 0.20 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 67.14 2kk1 h THR 18 Cb 1.19 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 2kk1 h THR 18 CO 0.36 0.13 0.02 0.07 0.37 0.00 0.00 175.52 176.47 2kk1 h LYS 19 N 0.72 0.00 -0.00 6.66 2.10 -2.05 -2.54 116.57 121.46 2kk1 h LYS 19 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 2kk1 h LYS 19 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 2kk1 h LYS 19 CO -0.08 0.00 -0.86 0.28 -2.00 0.00 0.00 179.45 176.80 2kk1 n VAL 20 N -4.52 0.00 0.00 0.07 0.31 -0.25 -4.06 118.33 109.88 2kk1 n VAL 20 Ca -0.02 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2kk1 n VAL 20 Cb 0.12 1.04 0.00 0.00 -0.91 0.00 0.00 33.84 34.08 2kk1 n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kk1 n ALA 21 N -1.25 -0.22 1.22 3.52 0.00 -0.20 -3.18 120.51 120.41 2kk1 n ALA 21 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.55 2kk1 n ALA 21 Cb 0.33 0.07 0.21 0.00 0.00 0.00 0.00 19.45 20.06 2kk1 n ALA 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kk1 n LEU 22 N -1.46 1.40 -2.75 0.00 4.77 -1.26 -4.98 117.00 112.71 2kk1 n LEU 22 Ca 0.00 -0.67 -0.02 0.00 -0.03 0.00 0.00 56.01 55.30 2kk1 n LEU 22 Cb 0.00 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2kk1 n LEU 22 CO 0.00 0.33 -0.37 -1.14 -1.33 0.00 0.00 177.39 174.88 2kk1 n ARG 23 N 0.22 -3.27 -0.09 3.23 0.63 -1.19 -5.02 116.66 111.16 2kk1 n ARG 23 Ca 0.11 2.66 -0.12 0.00 -0.92 0.00 0.00 57.85 59.58 2kk1 n ARG 23 Cb 0.24 -5.48 -0.05 0.00 0.45 0.00 0.00 32.46 27.63 2kk1 n ARG 23 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2kk1 n LYS 24 N 0.48 0.51 -4.24 -0.14 4.01 -1.26 -5.06 118.16 112.46 2kk1 n LYS 24 Ca 0.03 0.42 -0.13 0.00 -0.51 0.00 0.00 58.31 58.12 2kk1 n LYS 24 Cb 0.10 -1.61 -0.10 0.00 -0.51 0.00 0.00 35.03 32.91 2kk1 n LYS 24 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 2kk1 s THR 25 N -2.47 0.70 0.18 -0.18 -1.32 -1.26 -4.73 115.64 106.56 2kk1 s THR 25 Ca -0.24 -1.98 -0.08 0.00 -1.21 0.00 0.00 61.69 58.18 2kk1 s THR 25 Cb 0.05 -2.10 -0.07 0.00 -1.51 0.00 0.00 72.50 68.87 2kk1 s THR 25 CO 0.37 -0.49 0.48 -0.54 -2.21 0.00 0.00 174.62 172.23 2kk1 s LYS 26 N -3.91 3.74 -0.12 7.08 1.02 -1.26 -5.04 119.74 121.25 2kk1 s LYS 26 Ca 0.23 0.15 -0.09 0.00 0.02 0.00 0.00 55.97 56.29 2kk1 s LYS 26 Cb 0.06 -2.76 -0.05 0.00 -0.52 0.00 0.00 37.83 34.56 2kk1 s LYS 26 CO 0.04 0.40 -0.20 0.00 -0.92 0.00 0.00 175.35 174.67 2kk1 n GLN 27 N 0.06 0.31 -3.60 1.68 10.64 -1.26 -5.10 117.38 120.12 2kk1 n GLN 27 Ca -0.01 0.13 -0.16 0.00 -1.83 0.00 0.00 57.00 55.13 2kk1 n GLN 27 Cb 0.52 -1.03 -0.07 0.00 -0.86 0.00 0.00 30.24 28.80 2kk1 n GLN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kk1 s ALA 28 N -2.37 -1.43 0.64 2.61 0.00 -1.26 -5.04 121.76 114.91 2kk1 s ALA 28 Ca -0.19 0.97 0.33 0.00 0.00 0.00 0.00 51.96 53.06 2kk1 s ALA 28 Cb 0.06 0.04 1.79 0.00 0.00 0.00 0.00 23.12 25.01 2kk1 s ALA 28 CO 0.26 -0.34 2.06 0.00 0.00 0.00 0.00 175.76 177.74 2kk1 h ALA 29 N 3.27 1.48 -0.53 0.00 0.00 -1.99 -1.66 119.26 119.83 2kk1 h ALA 29 Ca -0.28 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.78 2kk1 h ALA 29 Cb 1.15 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2kk1 h ALA 29 CO 0.39 -0.29 0.45 1.05 0.00 0.00 0.00 179.25 180.85 2kk1 h GLU 30 N 0.00 0.00 0.00 0.00 4.11 -2.04 -2.94 114.58 113.71 2kk1 h GLU 30 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 2kk1 h GLU 30 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2kk1 h GLU 30 CO -0.00 0.00 0.00 1.17 0.07 0.00 0.00 179.01 180.25 2kk1 n LYS 31 N -4.04 1.38 -2.19 1.06 3.00 -0.66 -5.00 118.16 111.70 2kk1 n LYS 31 Ca 0.10 -0.13 -0.39 0.00 -0.00 0.00 0.00 58.31 57.89 2kk1 n LYS 31 Cb 0.66 -0.50 -0.03 0.00 0.00 0.00 0.00 35.03 35.16 2kk1 n LYS 31 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2kk1 s ILE 32 N -0.23 3.47 0.44 3.15 1.01 -0.98 -4.84 121.20 123.21 2kk1 s ILE 32 Ca 0.00 0.23 0.10 0.00 0.00 0.00 0.00 60.65 60.98 2kk1 s ILE 32 Cb 0.00 -4.23 0.26 0.00 0.01 0.00 0.00 42.46 38.50 2kk1 s ILE 32 CO 0.00 -1.19 2.08 -1.28 0.00 0.00 0.00 174.94 174.54 2kk1 h SER 33 N 13.41 0.33 -0.25 3.58 0.87 -1.93 -1.14 113.55 128.42 2kk1 h SER 33 Ca -0.25 -0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.37 2kk1 h SER 33 Cb 1.12 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 2kk1 h SER 33 CO 1.24 0.25 0.29 0.00 -0.53 0.00 0.00 176.83 178.08 2kk1 h ALA 34 N 1.81 1.88 0.01 6.23 0.00 -1.88 0.13 119.26 127.44 2kk1 h ALA 34 Ca 0.10 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 2kk1 h ALA 34 Cb -0.02 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2kk1 h ALA 34 CO -0.02 -0.42 -1.10 0.22 0.00 0.00 0.00 179.25 177.93 2kk1 h ASP 35 N 0.00 0.04 0.99 0.00 3.58 -1.56 -3.27 116.42 116.20 2kk1 h ASP 35 Ca 0.12 -0.04 -0.12 0.00 0.42 0.00 0.00 57.03 57.41 2kk1 h ASP 35 Cb 0.70 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 2kk1 h ASP 35 CO -0.00 1.04 -0.56 0.50 -2.88 0.00 0.00 179.24 177.33 2kk1 h LYS 36 N 0.01 0.00 -5.99 0.28 3.11 -0.79 -3.42 116.57 109.76 2kk1 h LYS 36 Ca -0.05 0.00 -0.47 0.00 -2.81 0.00 0.00 60.65 57.32 2kk1 h LYS 36 Cb 1.81 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.99 2kk1 h LYS 36 CO 0.13 0.56 1.18 0.42 -2.81 0.00 0.00 179.45 178.93 2kk1 s ILE 37 N -3.28 3.48 0.40 2.00 -1.09 -0.43 -4.98 121.20 117.29 2kk1 s ILE 37 Ca 0.01 0.04 -0.12 0.00 -2.23 0.00 0.00 60.65 58.36 2kk1 s ILE 37 Cb 0.10 -4.20 -0.07 0.00 -1.58 0.00 0.00 42.46 36.71 2kk1 s ILE 37 CO 0.74 -1.15 0.78 -0.44 -1.23 0.00 0.00 174.94 173.64 2kk1 s SER 38 N 7.13 6.58 0.08 3.58 0.01 -1.26 -4.85 113.70 124.97 2kk1 s SER 38 Ca 0.61 1.19 -0.32 0.00 1.31 0.00 0.00 55.95 58.74 2kk1 s SER 38 Cb -0.10 -2.35 -0.16 0.00 0.21 0.00 0.00 66.02 63.63 2kk1 s SER 38 CO 0.13 -0.38 1.50 0.50 0.41 0.00 0.00 173.24 175.40 2kk1 h LYS 39 N 1.42 -0.88 -0.05 12.44 3.64 -1.98 -0.60 116.57 130.57 2kk1 h LYS 39 Ca -0.47 0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 58.90 2kk1 h LYS 39 Cb 1.18 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.19 2kk1 h LYS 39 CO 0.64 -0.58 -0.29 1.05 -2.27 0.00 0.00 179.45 178.00 2kk1 h GLU 40 N -0.91 0.08 -0.70 1.90 9.09 -1.98 -2.05 114.58 120.01 2kk1 h GLU 40 Ca -0.06 -0.03 0.01 0.00 0.05 0.00 0.00 59.36 59.33 2kk1 h GLU 40 Cb 0.79 -0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 27.85 2kk1 h GLU 40 CO -0.06 0.37 0.46 0.00 0.05 0.00 0.00 179.01 179.83 2kk1 h ALA 41 N 1.63 0.89 -0.42 1.06 0.00 -1.86 0.11 119.26 120.67 2kk1 h ALA 41 Ca 0.01 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2kk1 h ALA 41 Cb 0.55 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2kk1 h ALA 41 CO 0.04 0.32 -0.03 1.25 0.00 0.00 0.00 179.25 180.83 2kk1 h LEU 42 N 0.95 0.74 -0.78 0.00 6.46 -0.80 -2.84 115.31 119.05 2kk1 h LEU 42 Ca 0.26 -0.32 -0.01 0.00 -0.12 0.00 0.00 57.88 57.69 2kk1 h LEU 42 Cb -0.10 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.59 2kk1 h LEU 42 CO -0.05 0.89 0.46 -0.07 -0.62 0.00 0.00 178.44 179.04 2kk1 h LEU 43 N 0.58 0.94 -0.60 2.25 3.38 -0.81 -0.57 115.31 120.47 2kk1 h LEU 43 Ca 0.11 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2kk1 h LEU 43 Cb 0.52 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2kk1 h LEU 43 CO 0.03 0.74 -0.12 1.05 0.09 0.00 0.00 178.44 180.22 2kk1 h GLU 44 N 1.06 0.98 -0.35 1.13 4.11 -0.82 0.05 114.58 120.75 2kk1 h GLU 44 Ca 0.28 -0.36 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 2kk1 h GLU 44 Cb -0.02 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2kk1 h GLU 44 CO -0.05 1.04 0.18 0.00 0.07 0.00 0.00 179.01 180.24 2kk1 h ALA 46 N 1.04 1.34 -0.99 0.00 0.00 -0.96 -2.54 119.26 117.15 2kk1 h ALA 46 Ca 0.12 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2kk1 h ALA 46 Cb 0.09 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 2kk1 h ALA 46 CO -0.02 0.49 0.65 0.22 0.00 0.00 0.00 179.25 180.59 2kk1 h ASP 47 N 0.79 1.08 -1.00 0.00 3.58 -0.62 -1.98 116.42 118.26 2kk1 h ASP 47 Ca 0.19 -0.01 0.14 0.00 0.42 0.00 0.00 57.03 57.77 2kk1 h ASP 47 Cb 0.17 -0.25 -0.09 0.00 1.72 0.00 0.00 39.33 40.88 2kk1 h ASP 47 CO -0.02 0.74 0.63 -0.07 -2.88 0.00 0.00 179.24 177.64 2kk1 h LEU 48 N 1.25 0.89 0.09 2.28 3.38 -0.98 0.12 115.31 122.35 2kk1 h LEU 48 Ca 0.39 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.42 2kk1 h LEU 48 Cb -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2kk1 h LEU 48 CO -0.12 0.44 -0.05 -0.07 0.09 0.00 0.00 178.44 178.73 2kk1 h LEU 49 N 0.94 -0.11 -1.17 1.67 4.07 -1.41 0.73 115.31 120.03 2kk1 h LEU 49 Ca 0.52 -0.38 0.14 0.00 0.08 0.00 0.00 57.88 58.24 2kk1 h LEU 49 Cb 0.60 0.03 -0.08 0.00 1.08 0.00 0.00 40.66 42.29 2kk1 h LEU 49 CO -0.29 0.34 0.60 -1.28 -1.08 0.00 0.00 178.44 176.73 2kk1 h SER 50 N -0.59 0.77 0.01 -0.43 0.87 -0.86 -1.40 113.55 111.93 2kk1 h SER 50 Ca -0.01 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 2kk1 h SER 50 Cb 0.48 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2kk1 h SER 50 CO 0.02 0.39 -0.11 -1.28 -0.53 0.00 0.00 176.83 175.32 2kk1 h SER 51 N 0.81 0.08 0.32 6.23 0.87 -0.77 -3.36 113.55 117.75 2kk1 h SER 51 Ca 0.47 -0.84 -0.04 0.00 -1.23 0.00 0.00 61.79 60.16 2kk1 h SER 51 Cb 0.64 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 2kk1 h SER 51 CO -0.24 0.91 -0.17 0.00 -0.53 0.00 0.00 176.83 176.80 2kk1 h ALA 52 N 0.17 1.41 0.00 6.23 0.00 -0.50 -1.75 119.26 124.83 2kk1 h ALA 52 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2kk1 h ALA 52 Cb 0.94 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2kk1 h ALA 52 CO 0.02 0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.77 2kk1 n LEU 53 N -3.90 0.00 -0.13 0.00 4.77 -0.56 -3.49 117.00 113.69 2kk1 n LEU 53 Ca -0.02 0.38 -0.28 0.00 -0.03 0.00 0.00 56.01 56.07 2kk1 n LEU 53 Cb 0.27 -0.38 -0.10 0.00 -2.33 0.00 0.00 43.42 40.87 2kk1 n LEU 53 CO 0.33 -0.13 -1.32 0.35 -1.33 0.00 0.00 177.39 175.30 2kk1 n THR 54 N -1.38 1.53 -2.49 -5.08 -2.24 -0.67 -4.64 114.28 99.31 2kk1 n THR 54 Ca 0.07 -0.37 -0.32 0.00 -2.27 0.00 0.00 64.05 61.17 2kk1 n THR 54 Cb 0.19 -1.85 -0.04 0.00 -2.10 0.00 0.00 70.33 66.53 2kk1 n THR 54 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2kk1 s GLU 55 N -2.49 3.98 -0.00 -0.78 -1.05 -1.17 -5.00 118.70 112.19 2kk1 s GLU 55 Ca -0.37 0.95 -0.30 0.00 -0.15 0.00 0.00 54.97 55.10 2kk1 s GLU 55 Cb 0.13 -2.16 -0.07 0.00 -0.44 0.00 0.00 34.13 31.59 2kk1 s GLU 55 CO 0.52 -0.22 1.74 -2.14 0.95 0.00 0.00 175.26 176.11 2kk1 s PRO 56 N -3.91 4.17 0.13 -4.83 0.02 -1.26 -4.86 135.00 124.46 2kk1 s PRO 56 Ca 0.59 2.33 -0.05 0.00 0.02 0.00 0.00 61.00 63.89 2kk1 s PRO 56 Cb -0.10 -3.95 -0.02 0.00 0.02 0.00 0.00 34.50 30.45 2kk1 s PRO 56 CO 0.28 -0.85 0.16 0.14 -0.33 0.00 0.00 177.00 176.40 2kk1 s VAL 57 N 3.86 0.10 0.22 3.83 -7.23 -1.26 -5.05 120.40 114.87 2kk1 s VAL 57 Ca 0.78 -1.63 -0.30 0.00 -1.81 0.00 0.00 61.98 59.02 2kk1 s VAL 57 Cb -0.37 -1.86 -0.09 0.00 0.56 0.00 0.00 36.38 34.62 2kk1 s VAL 57 CO 0.33 -0.45 1.01 -2.84 -0.31 0.00 0.00 175.10 172.84 2kk1 s PRO 58 N -3.99 4.74 0.38 4.82 0.02 -1.26 -3.84 135.00 135.87 2kk1 s PRO 58 Ca 0.18 1.61 0.10 0.00 0.02 0.00 0.00 61.00 62.92 2kk1 s PRO 58 Cb 0.06 -3.27 0.88 0.00 0.02 0.00 0.00 34.50 32.19 2kk1 s PRO 58 CO -0.01 0.33 1.91 -0.91 -0.33 0.00 0.00 177.00 177.99 2kk1 h ASN 59 N 4.39 0.56 -0.37 2.53 -0.26 -0.46 -1.58 115.58 120.39 2kk1 h ASN 59 Ca -0.45 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.31 2kk1 h ASN 59 Cb 1.21 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 38.36 2kk1 h ASN 59 CO 0.69 0.31 0.21 0.28 -1.06 0.00 0.00 177.43 177.86 2kk1 h SER 60 N 0.61 0.45 -0.85 5.81 0.02 -1.93 -1.61 113.55 116.05 2kk1 h SER 60 Ca 0.39 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 2kk1 h SER 60 Cb 0.65 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.03 2kk1 h SER 60 CO -0.15 0.39 0.50 -0.61 -1.14 0.00 0.00 176.83 175.82 2kk1 h GLN 61 N 0.48 1.16 -0.32 3.45 4.15 -1.67 -2.22 115.11 120.14 2kk1 h GLN 61 Ca 0.13 -0.12 0.03 0.00 0.77 0.00 0.00 58.65 59.47 2kk1 h GLN 61 Cb 0.03 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 27.45 2kk1 h GLN 61 CO -0.02 0.83 0.13 -0.07 -1.93 0.00 0.00 178.83 177.77 2kk1 h LEU 62 N 1.17 0.17 -0.13 -2.39 3.38 -0.94 0.11 115.31 116.67 2kk1 h LEU 62 Ca 0.30 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.31 2kk1 h LEU 62 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2kk1 h LEU 62 CO -0.05 0.13 0.05 0.58 0.09 0.00 0.00 178.44 179.24 2kk1 h VAL 63 N 0.28 0.98 -0.22 1.22 2.07 -1.07 0.46 116.25 119.98 2kk1 h VAL 63 Ca 0.14 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.63 2kk1 h VAL 63 Cb 0.09 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2kk1 h VAL 63 CO -0.13 0.02 0.13 -0.78 0.02 0.00 0.00 177.57 176.83 2kk1 h ASP 64 N 0.13 0.21 -0.38 0.57 3.58 -1.21 0.12 116.42 119.44 2kk1 h ASP 64 Ca 0.05 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 2kk1 h ASP 64 Cb 0.02 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 2kk1 h ASP 64 CO -0.05 0.16 0.17 0.74 -2.88 0.00 0.00 179.24 177.38 2kk1 h THR 65 N 0.27 1.16 0.00 2.25 2.02 -0.80 -1.96 112.91 115.85 2kk1 h THR 65 Ca 0.08 -0.49 -0.15 0.00 0.77 0.00 0.00 66.41 66.62 2kk1 h THR 65 Cb -0.01 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2kk1 h THR 65 CO -0.04 0.19 -0.71 1.23 0.37 0.00 0.00 175.52 176.56 2kk1 h GLY 66 N 0.75 0.00 0.61 2.16 0.00 -0.45 -3.32 103.07 102.83 2kk1 h GLY 66 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.55 2kk1 h GLY 66 CO -0.02 0.00 0.46 0.84 0.00 0.00 0.00 176.54 177.83 2kk1 h HIS 67 N 0.00 0.85 0.00 5.60 6.17 0.05 -1.64 115.15 126.17 2kk1 h HIS 67 Ca -0.01 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.08 2kk1 h HIS 67 Cb 1.29 -0.26 -0.00 0.00 2.52 0.00 0.00 27.41 30.95 2kk1 h HIS 67 CO 0.00 0.38 -0.10 -0.56 0.71 0.00 0.00 177.93 178.37 2kk1 h GLN 68 N 0.82 0.00 -0.34 5.26 3.07 -1.65 -2.23 115.11 120.03 2kk1 h GLN 68 Ca 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 59.08 2kk1 h GLN 68 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.81 2kk1 h GLN 68 CO -0.21 0.10 0.08 -0.07 0.09 0.00 0.00 178.83 178.82 2kk1 h LEU 69 N 0.00 0.45 -0.42 0.06 -0.00 -1.47 -1.64 115.31 112.30 2kk1 h LEU 69 Ca -0.00 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.88 57.82 2kk1 h LEU 69 Cb 0.18 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 40.70 2kk1 h LEU 69 CO 0.01 0.46 0.24 -0.07 -0.00 0.00 0.00 178.44 179.09 2kk1 h LEU 70 N 0.49 0.51 0.36 1.67 -0.00 -1.44 0.14 115.31 117.04 2kk1 h LEU 70 Ca 0.12 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 2kk1 h LEU 70 Cb 0.19 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.73 2kk1 h LEU 70 CO -0.00 0.42 -0.17 -0.78 -0.00 0.00 0.00 178.44 177.90 2kk1 h ASP 71 N 0.55 -0.41 -0.46 -0.43 1.82 -1.48 0.38 116.42 116.38 2kk1 h ASP 71 Ca 0.15 -0.04 0.03 0.00 -0.39 0.00 0.00 57.03 56.78 2kk1 h ASP 71 Cb 0.02 0.11 -0.04 0.00 0.68 0.00 0.00 39.33 40.10 2kk1 h ASP 71 CO -0.03 -0.23 0.25 1.88 -1.61 0.00 0.00 179.24 179.50 2kk1 h TYR 72 N -0.58 0.46 -0.13 0.28 -1.99 -1.26 -2.38 116.97 111.36 2kk1 h TYR 72 Ca -0.05 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.67 2kk1 h TYR 72 Cb 0.43 -0.14 -0.00 0.00 2.00 0.00 0.00 36.73 39.01 2kk1 h TYR 72 CO -0.03 0.24 -0.02 0.00 -0.00 0.00 0.00 178.16 178.35 2kk1 h SER 74 N -0.06 0.00 0.00 0.00 4.64 -0.84 -2.31 113.55 114.98 2kk1 h SER 74 Ca 0.03 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.23 2kk1 h SER 74 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 2kk1 h SER 74 CO 0.01 0.00 -0.84 1.23 -0.87 0.00 0.00 176.83 176.37 2kk1 h GLY 75 N 0.00 0.00 1.27 -0.77 0.00 -1.32 -3.40 103.07 98.86 2kk1 h GLY 75 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.45 2kk1 h GLY 75 CO -0.00 0.00 0.27 -1.82 0.00 0.00 0.00 176.54 174.99 2kk1 h TYR 76 N -1.00 0.00 -0.38 5.60 3.20 -0.64 -1.58 116.97 122.17 2kk1 h TYR 76 Ca -0.19 0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.79 2kk1 h TYR 76 Cb 0.95 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 2kk1 h TYR 76 CO 0.01 0.00 0.30 -0.24 -1.64 0.00 0.00 178.16 176.60 2kk1 h VAL 77 N 0.00 0.66 0.00 1.81 3.04 -1.63 0.11 116.25 120.24 2kk1 h VAL 77 Ca 0.16 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.79 2kk1 h VAL 77 Cb 0.70 0.78 -0.01 0.00 -2.01 0.00 0.00 31.29 30.75 2kk1 h VAL 77 CO -0.00 0.00 -0.32 -0.78 -1.01 0.00 0.00 177.57 175.46 2kk1 h ASP 78 N 0.00 0.00 0.87 3.17 3.58 -1.55 -2.34 116.42 120.15 2kk1 h ASP 78 Ca 0.18 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.63 2kk1 h ASP 78 Cb 0.78 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.83 2kk1 h ASP 78 CO -0.00 0.32 -0.09 0.00 -2.88 0.00 0.00 179.24 176.58 2kk1 s ILE 80 N -2.96 4.52 0.06 0.00 1.01 -0.88 -4.95 121.20 118.00 2kk1 s ILE 80 Ca 0.15 1.58 -0.13 0.00 0.00 0.00 0.00 60.65 62.25 2kk1 s ILE 80 Cb 0.19 -4.40 -0.29 0.00 0.01 0.00 0.00 42.46 37.97 2kk1 s ILE 80 CO 0.56 -0.51 1.12 1.55 0.00 0.00 0.00 174.94 177.65 2kk1 h PRO 81 N 8.24 0.56 -6.23 2.79 0.13 -1.87 -3.45 132.00 132.16 2kk1 h PRO 81 Ca -0.21 -0.77 -0.58 0.00 -0.87 0.00 0.00 66.00 63.57 2kk1 h PRO 81 Cb 1.07 0.26 -0.06 0.00 0.13 0.00 0.00 31.00 32.39 2kk1 h PRO 81 CO 1.02 1.34 0.83 -0.65 -0.23 0.00 0.00 178.00 180.32 2kk1 s GLN 82 N -2.94 4.13 0.40 0.86 -0.21 -1.26 -4.92 119.66 115.72 2kk1 s GLN 82 Ca -0.08 1.16 0.09 0.00 0.02 0.00 0.00 55.36 56.55 2kk1 s GLN 82 Cb 0.06 -3.71 0.88 0.00 1.00 0.00 0.00 33.01 31.25 2kk1 s GLN 82 CO 0.92 -0.81 1.99 1.15 -2.12 0.00 0.00 175.29 176.42 2kk1 h THR 83 N 5.64 0.99 0.40 -0.19 2.02 -1.98 0.16 112.91 119.96 2kk1 h THR 83 Ca -0.20 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 2kk1 h THR 83 Cb 1.06 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2kk1 h THR 83 CO 1.02 0.10 -0.36 0.03 0.37 0.00 0.00 175.52 176.68 2kk1 h ARG 84 N 0.57 -0.75 -0.72 6.66 2.47 -1.99 0.12 114.38 120.74 2kk1 h ARG 84 Ca 0.26 0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 59.01 2kk1 h ARG 84 Cb 0.30 0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.76 2kk1 h ARG 84 CO -0.08 -0.50 0.34 -0.91 0.56 0.00 0.00 179.97 179.39 2kk1 h ASN 85 N -0.78 0.95 -0.09 7.04 4.21 -1.82 -2.14 115.58 122.95 2kk1 h ASN 85 Ca -0.03 -0.14 0.01 0.00 1.21 0.00 0.00 56.30 57.35 2kk1 h ASN 85 Cb 0.69 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.63 2kk1 h ASN 85 CO -0.04 0.82 0.03 0.50 -1.29 0.00 0.00 177.43 177.45 2kk1 h LYS 86 N 1.01 0.08 -0.02 0.81 3.64 -0.47 0.11 116.57 121.73 2kk1 h LYS 86 Ca 0.25 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 2kk1 h LYS 86 Cb 0.12 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2kk1 h LYS 86 CO -0.03 0.05 -0.00 0.35 -2.27 0.00 0.00 179.45 177.55 2kk1 h PHE 87 N 0.08 0.03 -0.88 1.91 3.57 -0.74 -1.83 116.94 119.08 2kk1 h PHE 87 Ca 0.04 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.62 2kk1 h PHE 87 Cb 0.02 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.69 2kk1 h PHE 87 CO -0.10 0.37 0.57 0.00 -2.23 0.00 0.00 178.31 176.92 2kk1 h ALA 88 N 0.66 1.62 -0.42 2.41 0.00 -1.31 -0.30 119.26 121.92 2kk1 h ALA 88 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2kk1 h ALA 88 Cb 0.36 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2kk1 h ALA 88 CO 0.00 0.21 0.20 0.35 0.00 0.00 0.00 179.25 180.01 2kk1 h PHE 89 N 0.90 0.61 -0.11 0.00 3.57 -0.65 -2.49 116.94 118.77 2kk1 h PHE 89 Ca 0.40 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.85 2kk1 h PHE 89 Cb 0.36 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 2kk1 h PHE 89 CO -0.00 0.50 -0.01 0.00 -2.23 0.00 0.00 178.31 176.57 2kk1 h ARG 90 N 0.54 0.20 -0.63 1.11 2.47 -0.37 -2.31 114.38 115.39 2kk1 h ARG 90 Ca 0.14 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.77 2kk1 h ARG 90 Cb 0.13 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.40 2kk1 h ARG 90 CO -0.02 0.47 0.29 1.05 0.56 0.00 0.00 179.97 182.32 2kk1 h GLU 91 N -0.10 0.89 -0.48 0.04 -0.00 -1.14 -0.36 114.58 113.44 2kk1 h GLU 91 Ca 0.03 -0.12 -0.00 0.00 -0.00 0.00 0.00 59.36 59.27 2kk1 h GLU 91 Cb 0.39 -0.17 -0.02 0.00 -0.00 0.00 0.00 28.75 28.95 2kk1 h GLU 91 CO 0.01 0.70 0.28 0.00 -0.00 0.00 0.00 179.01 180.00 2kk1 h ALA 92 N 1.43 0.61 -0.98 1.06 0.00 -1.40 -2.12 119.26 117.87 2kk1 h ALA 92 Ca 0.22 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2kk1 h ALA 92 Cb 0.11 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 2kk1 h ALA 92 CO -0.03 0.10 0.64 0.28 0.00 0.00 0.00 179.25 180.24 2kk1 h VAL 93 N 0.63 1.16 -0.83 0.00 2.07 -0.77 -1.25 116.25 117.26 2kk1 h VAL 93 Ca 0.17 -0.42 0.08 0.00 0.82 0.00 0.00 66.70 67.35 2kk1 h VAL 93 Cb -0.00 -0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 29.54 2kk1 h VAL 93 CO -0.03 0.22 0.54 -1.28 0.02 0.00 0.00 177.57 177.04 2kk1 h SER 94 N 1.23 0.77 -0.36 0.57 0.87 -0.45 -0.14 113.55 116.03 2kk1 h SER 94 Ca 0.39 0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.80 2kk1 h SER 94 Cb 0.02 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 2kk1 h SER 94 CO -0.13 0.48 -0.39 0.11 -0.53 0.00 0.00 176.83 176.37 2kk1 h LYS 95 N 0.86 0.91 0.17 2.24 6.56 -0.80 -3.06 116.57 123.45 2kk1 h LYS 95 Ca 0.37 -0.49 -0.01 0.00 -1.06 0.00 0.00 60.65 59.47 2kk1 h LYS 95 Cb 0.31 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.99 2kk1 h LYS 95 CO -0.14 1.14 -0.08 1.25 -2.06 0.00 0.00 179.45 179.56 2kk1 h LEU 96 N 0.74 -0.19 -0.51 2.94 5.85 0.04 -0.15 115.31 124.04 2kk1 h LEU 96 Ca 0.06 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 2kk1 h LEU 96 Cb 0.99 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 2kk1 h LEU 96 CO 0.10 -0.08 0.04 1.05 -0.34 0.00 0.00 178.44 179.21 2kk1 h GLU 97 N -0.28 0.87 -0.92 1.25 4.11 -1.25 0.23 114.58 118.59 2kk1 h GLU 97 Ca -0.02 -0.25 -0.00 0.00 0.07 0.00 0.00 59.36 59.15 2kk1 h GLU 97 Cb 0.22 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2kk1 h GLU 97 CO 0.04 0.88 0.56 -0.07 0.07 0.00 0.00 179.01 180.48 2kk1 h LEU 98 N 0.74 1.10 -0.45 3.06 -0.00 -1.49 -0.11 115.31 118.17 2kk1 h LEU 98 Ca 0.15 -0.06 -0.12 0.00 -0.00 0.00 0.00 57.88 57.85 2kk1 h LEU 98 Cb 0.46 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 2kk1 h LEU 98 CO 0.02 0.84 -0.19 -1.28 -0.00 0.00 0.00 178.44 177.83 2kk1 h SER 99 N 1.27 0.94 -0.48 -0.43 0.87 -0.69 -2.67 113.55 112.36 2kk1 h SER 99 Ca 0.33 -0.39 -0.12 0.00 -1.23 0.00 0.00 61.79 60.38 2kk1 h SER 99 Cb -0.06 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.63 2kk1 h SER 99 CO -0.06 1.12 -0.16 -0.07 -0.53 0.00 0.00 176.83 177.13 2kk1 h LEU 100 N 0.75 0.97 -0.97 2.23 3.38 -0.65 -1.04 115.31 119.99 2kk1 h LEU 100 Ca 0.10 -0.38 -0.11 0.00 0.09 0.00 0.00 57.88 57.59 2kk1 h LEU 100 Cb 0.75 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2kk1 h LEU 100 CO 0.06 1.13 -0.43 0.06 0.09 0.00 0.00 178.44 179.35 2kk1 h GLN 101 N 0.81 0.18 0.16 1.13 3.07 -1.02 -2.14 115.11 117.30 2kk1 h GLN 101 Ca 0.12 -0.09 -0.28 0.00 0.09 0.00 0.00 58.65 58.49 2kk1 h GLN 101 Cb 0.73 -0.00 0.03 0.00 0.08 0.00 0.00 27.48 28.32 2kk1 h GLN 101 CO 0.06 0.58 -1.19 1.05 0.09 0.00 0.00 178.83 179.42 2kk1 h GLU 102 N 0.15 0.51 0.24 0.06 4.11 -1.44 -3.35 114.58 114.86 2kk1 h GLU 102 Ca 0.01 -0.77 -0.01 0.00 0.07 0.00 0.00 59.36 58.66 2kk1 h GLU 102 Cb 0.82 0.27 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 2kk1 h GLU 102 CO 0.06 1.35 -0.14 1.25 0.07 0.00 0.00 179.01 181.61 2kk1 h LEU 103 N 0.06 -0.34 -2.01 3.06 5.85 -1.09 0.14 115.31 120.97 2kk1 h LEU 103 Ca -0.19 0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.69 2kk1 h LEU 103 Cb 1.90 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 43.01 2kk1 h LEU 103 CO 0.23 -0.23 0.38 0.06 -0.34 0.00 0.00 178.44 178.53 2kk1 h GLN 104 N -0.36 0.00 0.00 1.25 3.07 -1.55 0.50 115.11 118.02 2kk1 h GLN 104 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.70 2kk1 h GLN 104 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.85 2kk1 h GLN 104 CO 0.03 0.00 -1.99 1.33 0.09 0.00 0.00 178.83 178.29 2kk1 n VAL 105 N -4.31 0.08 -0.87 1.86 0.24 -1.11 -4.45 118.33 109.75 2kk1 n VAL 105 Ca 0.09 -0.52 0.08 0.00 -2.04 0.00 0.00 64.34 61.96 2kk1 n VAL 105 Cb 0.60 -0.03 0.19 0.00 -1.47 0.00 0.00 33.84 33.13 2kk1 n VAL 105 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2kk1 n SER 106 N -2.29 3.18 0.11 -1.34 7.64 0.47 -4.70 113.62 116.69 2kk1 n SER 106 Ca -0.05 -2.88 -0.13 0.00 1.01 0.00 0.00 58.87 56.82 2kk1 n SER 106 Cb 0.59 -0.44 -0.07 0.00 -1.01 0.00 0.00 64.21 63.28 2kk1 n SER 106 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2kk1 h SER 107 N 1.14 -0.18 0.00 6.43 4.64 -0.27 -3.46 113.55 121.85 2kk1 h SER 107 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kk1 h SER 107 Cb 1.17 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2kk1 h SER 107 CO 0.12 -0.12 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2kk1 n ALA 108 N -2.18 0.00 -0.17 5.18 0.00 -1.26 -4.05 120.51 118.02 2kk1 n ALA 108 Ca -0.09 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.61 2kk1 n ALA 108 Cb 0.11 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.24 2kk1 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kk1 h ALA 109 N 0.00 2.68 0.00 0.00 0.00 -1.94 -3.45 119.26 116.54 2kk1 h ALA 109 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kk1 h ALA 109 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kk1 h ALA 109 CO 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 179.25 178.32 2kk1 n ALA 110 N -2.66 0.00 -2.93 0.00 0.00 -1.26 -4.32 120.51 109.34 2kk1 n ALA 110 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.49 2kk1 n ALA 110 Cb 0.87 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.35 2kk1 n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kk1 n GLY 111 N 0.00 2.14 2.86 0.00 0.00 -1.26 0.33 105.19 109.26 2kk1 n GLY 111 Ca 0.00 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.90 2kk1 n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kk1 s VAL 112 N -1.33 0.48 0.47 1.61 1.01 -1.25 -4.72 120.40 116.66 2kk1 s VAL 112 Ca 0.31 -0.06 -0.13 0.00 0.00 0.00 0.00 61.98 62.10 2kk1 s VAL 112 Cb 0.34 -0.53 -0.07 0.00 0.00 0.00 0.00 36.38 36.12 2kk1 s VAL 112 CO -0.06 0.22 0.88 -2.16 0.00 0.00 0.00 175.10 173.99 2kk1 s PRO 113 N 1.11 3.83 0.00 2.72 0.04 -1.26 -4.31 135.00 137.13 2kk1 s PRO 113 Ca -0.08 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.65 2kk1 s PRO 113 Cb -0.14 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.15 2kk1 s PRO 113 CO -0.01 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.25 2kk1 n GLY 114 N -1.57 0.92 0.39 0.56 0.00 -1.26 -4.75 105.19 99.48 2kk1 n GLY 114 Ca 0.04 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.35 2kk1 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk1 h THR 115 N 0.00 0.25 -3.52 2.61 1.03 -2.01 -3.37 112.91 107.90 2kk1 h THR 115 Ca 0.00 -0.08 -0.64 0.00 -0.01 0.00 0.00 66.41 65.68 2kk1 h THR 115 Cb 0.00 0.00 -0.21 0.00 -1.07 0.00 0.00 68.15 66.87 2kk1 h THR 115 CO 0.00 0.04 -0.61 0.20 -0.01 0.00 0.00 175.52 175.14 2kk1 s ASN 116 N -4.79 5.22 0.54 0.00 0.01 -1.26 -4.99 114.94 109.67 2kk1 s ASN 116 Ca -0.09 -0.12 0.24 0.00 -0.71 0.00 0.00 52.86 52.18 2kk1 s ASN 116 Cb 0.30 -1.92 1.41 0.00 0.41 0.00 0.00 41.25 41.45 2kk1 s ASN 116 CO 0.80 0.04 2.04 1.55 -1.51 0.00 0.00 177.10 180.02 2kk1 h PRO 117 N 7.66 0.00 -0.80 -0.60 0.13 -2.02 -0.84 132.00 135.54 2kk1 h PRO 117 Ca -0.37 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.91 2kk1 h PRO 117 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 2kk1 h PRO 117 CO 0.61 0.00 0.53 0.28 -0.23 0.00 0.00 178.00 179.19 2kk1 h VAL 118 N 0.00 0.80 -0.68 1.56 2.07 -1.94 -0.60 116.25 117.46 2kk1 h VAL 118 Ca 0.18 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2kk1 h VAL 118 Cb 0.76 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2kk1 h VAL 118 CO -0.00 0.09 0.39 -0.07 0.02 0.00 0.00 177.57 178.00 2kk1 h LEU 119 N 0.49 0.83 -0.48 2.57 3.38 -1.51 0.76 115.31 121.35 2kk1 h LEU 119 Ca 0.39 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.21 2kk1 h LEU 119 Cb 0.83 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2kk1 h LEU 119 CO -0.14 0.67 -0.01 0.78 0.09 0.00 0.00 178.44 179.82 2kk1 h ASN 120 N 0.92 0.84 -0.59 -0.43 2.35 -1.29 -1.92 115.58 115.47 2kk1 h ASN 120 Ca 0.24 -0.31 0.07 0.00 -0.55 0.00 0.00 56.30 55.74 2kk1 h ASN 120 Cb 0.00 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 38.09 2kk1 h ASN 120 CO -0.04 0.95 0.29 0.78 -1.65 0.00 0.00 177.43 177.76 2kk1 h ASN 121 N 0.71 0.38 -0.21 5.81 4.21 -0.78 -1.52 115.58 124.18 2kk1 h ASN 121 Ca 0.13 0.04 0.04 0.00 1.21 0.00 0.00 56.30 57.73 2kk1 h ASN 121 Cb 0.53 -0.02 -0.04 0.00 -1.12 0.00 0.00 38.32 37.67 2kk1 h ASN 121 CO 0.03 0.25 -0.04 -0.07 -1.29 0.00 0.00 177.43 176.30 2kk1 h LEU 122 N 0.53 -0.18 -0.35 1.61 3.38 -0.67 -1.25 115.31 118.39 2kk1 h LEU 122 Ca 0.28 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.38 2kk1 h LEU 122 Cb 0.23 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 2kk1 h LEU 122 CO -0.21 -0.06 -0.24 0.25 0.09 0.00 0.00 178.44 178.27 2kk1 h LEU 123 N 0.01 -0.79 -0.03 1.67 5.85 -0.61 0.17 115.31 121.58 2kk1 h LEU 123 Ca 0.10 0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.99 2kk1 h LEU 123 Cb 0.15 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2kk1 h LEU 123 CO -0.21 -0.27 -0.03 -1.28 -0.34 0.00 0.00 178.44 176.31 2kk1 h SER 124 N -0.19 -0.11 -0.34 1.25 0.87 -1.09 -1.24 113.55 112.70 2kk1 h SER 124 Ca 0.17 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.77 2kk1 h SER 124 Cb 0.46 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 2kk1 h SER 124 CO -0.46 -0.05 0.19 0.00 -0.53 0.00 0.00 176.83 175.98 2kk1 h VAL 126 N 0.39 1.15 -0.62 0.00 2.07 -0.57 0.39 116.25 119.05 2kk1 h VAL 126 Ca 0.13 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.28 2kk1 h VAL 126 Cb 0.01 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 2kk1 h VAL 126 CO -0.07 0.15 0.37 1.56 0.02 0.00 0.00 177.57 179.60 2kk1 h GLN 127 N 0.33 0.70 0.44 1.57 4.20 -1.08 -0.53 115.11 120.74 2kk1 h GLN 127 Ca 0.10 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 2kk1 h GLN 127 Cb 0.11 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.73 2kk1 h GLN 127 CO -0.01 0.46 -0.23 1.49 -0.67 0.00 0.00 178.83 179.87 2kk1 h GLU 128 N 0.72 -0.60 -0.05 1.46 4.57 -0.81 -0.84 114.58 119.04 2kk1 h GLU 128 Ca 0.26 0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.51 2kk1 h GLU 128 Cb 0.06 0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.74 2kk1 h GLU 128 CO -0.12 -0.40 -0.22 0.82 -1.18 0.00 0.00 179.01 177.91 2kk1 h ILE 129 N -0.62 0.48 -0.54 2.32 2.04 -0.74 -0.03 117.51 120.41 2kk1 h ILE 129 Ca -0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2kk1 h ILE 129 Cb 0.49 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 2kk1 h ILE 129 CO 0.08 0.00 0.32 0.77 0.00 0.00 0.00 178.15 179.32 2kk1 h SER 130 N -0.32 0.65 -0.51 1.72 4.64 -1.09 -1.89 113.55 116.74 2kk1 h SER 130 Ca 0.08 -0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.23 2kk1 h SER 130 Cb 0.43 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 2kk1 h SER 130 CO -0.23 0.51 -0.16 -0.78 -0.87 0.00 0.00 176.83 175.29 2kk1 h ASP 131 N 0.75 1.03 -0.97 4.97 3.58 -0.52 -2.84 116.42 122.43 2kk1 h ASP 131 Ca 0.20 -0.37 0.02 0.00 0.42 0.00 0.00 57.03 57.29 2kk1 h ASP 131 Cb -0.01 -0.28 -0.05 0.00 1.72 0.00 0.00 39.33 40.71 2kk1 h ASP 131 CO -0.04 1.17 0.64 0.58 -2.88 0.00 0.00 179.24 178.72 2kk1 h VAL 132 N 0.89 1.23 0.00 2.25 2.07 -0.37 -1.04 116.25 121.27 2kk1 h VAL 132 Ca 0.13 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2kk1 h VAL 132 Cb 0.74 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2kk1 h VAL 132 CO 0.06 0.24 -0.03 0.58 0.02 0.00 0.00 177.57 178.44 2kk1 h VAL 133 N 1.29 0.64 -0.01 2.57 2.07 -1.14 -1.27 116.25 120.41 2kk1 h VAL 133 Ca 0.36 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.77 2kk1 h VAL 133 Cb -0.12 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2kk1 h VAL 133 CO -0.09 0.03 -0.10 0.00 0.02 0.00 0.00 177.57 177.43 2kk1 n GLN 134 N -3.95 0.93 0.00 1.57 6.02 -0.41 -5.08 117.38 116.46 2kk1 n GLN 134 Ca -0.03 -0.39 0.13 0.00 -0.01 0.00 0.00 57.00 56.70 2kk1 n GLN 134 Cb 0.11 -1.49 0.28 0.00 1.02 0.00 0.00 30.24 30.16 2kk1 n GLN 134 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59