#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 4.32 3.57 -5.12 0.00 -1.26 -5.08 105.19 101.62 2kk1 n GLY 2 Ca 0.00 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 2kk1 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kk1 s HIS 3 N -0.85 1.83 -0.07 1.61 0.09 -1.26 -4.97 115.29 111.67 2kk1 s HIS 3 Ca 0.00 0.69 0.03 0.00 -0.00 0.00 0.00 55.06 55.78 2kk1 s HIS 3 Cb 0.00 -4.15 0.01 0.00 -0.00 0.00 0.00 32.58 28.44 2kk1 s HIS 3 CO 0.00 -2.43 -0.14 -1.01 -0.00 0.00 0.00 174.74 171.16 2kk1 s HIS 4 N 7.84 1.58 -2.00 1.40 3.76 -1.26 -5.04 115.29 121.56 2kk1 s HIS 4 Ca 0.69 -0.58 0.01 0.00 -0.15 0.00 0.00 55.06 55.03 2kk1 s HIS 4 Cb -0.15 -1.13 0.07 0.00 1.11 0.00 0.00 32.58 32.47 2kk1 s HIS 4 CO 0.26 -0.28 0.52 1.58 -0.85 0.00 0.00 174.74 175.97 2kk1 n HIS 5 N 3.72 0.00 -1.29 1.40 -0.00 -1.26 -2.31 115.22 115.47 2kk1 n HIS 5 Ca -0.22 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.04 2kk1 n HIS 5 Cb 0.52 0.00 0.11 0.00 -0.12 0.00 0.00 29.99 30.50 2kk1 n HIS 5 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kk1 n HIS 6 N -0.54 0.00 1.01 1.57 -0.00 -1.26 -4.74 115.22 111.27 2kk1 n HIS 6 Ca 0.01 -0.82 0.12 0.00 -0.00 0.00 0.00 57.72 57.02 2kk1 n HIS 6 Cb 0.00 -0.14 0.06 0.00 -0.00 0.00 0.00 29.99 29.92 2kk1 n HIS 6 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kk1 n HIS 7 N -1.12 0.00 -2.78 4.41 -0.00 -0.98 -4.81 115.22 109.93 2kk1 n HIS 7 Ca 0.13 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.42 2kk1 n HIS 7 Cb 0.66 -0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.62 2kk1 n HIS 7 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kk1 s HIS 8 N -2.24 2.78 -0.04 4.41 5.65 -1.26 -5.01 115.29 119.58 2kk1 s HIS 8 Ca 0.23 -0.91 -0.23 0.00 0.25 0.00 0.00 55.06 54.40 2kk1 s HIS 8 Cb 0.19 -4.42 -0.04 0.00 -1.18 0.00 0.00 32.58 27.13 2kk1 s HIS 8 CO 0.44 -1.70 0.67 0.45 -0.65 0.00 0.00 174.74 173.96 2kk1 s SER 9 N 3.98 7.00 0.72 9.88 0.15 -1.26 -5.06 113.70 129.12 2kk1 s SER 9 Ca 0.33 1.20 -0.15 0.00 0.70 0.00 0.00 55.95 58.04 2kk1 s SER 9 Cb -0.07 -2.40 0.04 0.00 -1.71 0.00 0.00 66.02 61.87 2kk1 s SER 9 CO -0.02 -0.04 1.18 -1.38 1.20 0.00 0.00 173.24 174.18 2kk1 s HIS 10 N 0.42 2.17 0.14 3.44 -0.00 -1.26 -4.99 115.29 115.21 2kk1 s HIS 10 Ca 0.36 1.60 -0.30 0.00 -0.00 0.00 0.00 55.06 56.71 2kk1 s HIS 10 Cb -0.18 -3.39 -0.07 0.00 -0.00 0.00 0.00 32.58 28.94 2kk1 s HIS 10 CO 0.18 -2.39 0.98 -1.64 -0.00 0.00 0.00 174.74 171.87 2kk1 s MET 11 N -4.00 4.71 0.77 -0.38 1.00 -1.26 -5.06 119.30 115.07 2kk1 s MET 11 Ca 0.72 1.50 -0.12 0.00 0.00 0.00 0.00 55.69 57.79 2kk1 s MET 11 Cb -0.27 -3.35 0.17 0.00 0.00 0.00 0.00 34.83 31.39 2kk1 s MET 11 CO 0.45 0.24 1.04 0.00 0.00 0.00 0.00 175.02 176.75 2kk1 n ALA 12 N 2.53 -1.07 -1.76 3.03 0.00 -1.26 -4.90 120.51 117.08 2kk1 n ALA 12 Ca 0.02 -1.43 -0.42 0.00 0.00 0.00 0.00 53.44 51.61 2kk1 n ALA 12 Cb 0.48 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 2kk1 n ALA 12 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2kk1 s ASN 13 N -4.86 6.45 0.00 0.00 0.01 -1.26 -2.25 114.94 113.03 2kk1 s ASN 13 Ca 0.60 2.73 0.00 0.00 -0.71 0.00 0.00 52.86 55.49 2kk1 s ASN 13 Cb -0.02 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.07 2kk1 s ASN 13 CO 0.42 -0.97 0.00 0.61 -1.51 0.00 0.00 177.10 175.65 2kk1 n GLY 14 N 4.13 2.35 3.85 0.66 0.00 -1.26 -5.09 105.19 109.83 2kk1 n GLY 14 Ca 0.17 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 2kk1 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk1 s ALA 15 N -0.90 3.03 -0.54 4.61 0.00 -0.95 -3.68 121.76 123.32 2kk1 s ALA 15 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.08 2kk1 s ALA 15 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2kk1 s ALA 15 CO 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 175.76 175.30 2kk1 n ALA 16 N -2.02 -0.08 0.63 0.00 0.00 -1.26 -4.85 120.51 112.93 2kk1 n ALA 16 Ca 0.07 0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.67 2kk1 n ALA 16 Cb 0.54 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.77 2kk1 n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kk1 n GLY 17 N -0.93 -0.62 0.35 0.00 0.00 -1.24 -4.54 105.19 98.21 2kk1 n GLY 17 Ca -0.05 -0.46 0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 0.67 -0.74 2.61 2.02 -1.89 0.17 112.91 115.75 2kk1 h THR 18 Ca 0.00 -0.25 0.15 0.00 0.77 0.00 0.00 66.41 67.08 2kk1 h THR 18 Cb 0.48 -0.12 -0.10 0.00 -1.74 0.00 0.00 68.15 66.67 2kk1 h THR 18 CO 0.00 0.13 0.25 0.07 0.37 0.00 0.00 175.52 176.34 2kk1 h LYS 19 N 0.72 0.35 -0.34 6.66 2.10 -2.00 -1.32 116.57 122.74 2kk1 h LYS 19 Ca 0.59 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.22 2kk1 h LYS 19 Cb 0.97 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.22 2kk1 h LYS 19 CO -0.40 0.23 0.00 1.55 -2.00 0.00 0.00 179.45 178.84 2kk1 n VAL 20 N -5.07 0.44 0.02 0.07 3.14 0.13 -3.56 118.33 113.50 2kk1 n VAL 20 Ca 0.14 -0.72 -0.22 0.00 -2.96 0.00 0.00 64.34 60.58 2kk1 n VAL 20 Cb 0.44 1.05 -0.14 0.00 -1.06 0.00 0.00 33.84 34.13 2kk1 n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kk1 h ALA 21 N 4.45 0.31 0.14 1.55 0.00 0.32 -3.38 119.26 122.64 2kk1 h ALA 21 Ca 0.00 -1.27 -0.29 0.00 0.00 0.00 0.00 54.91 53.35 2kk1 h ALA 21 Cb 0.98 0.61 0.03 0.00 0.00 0.00 0.00 17.79 19.41 2kk1 h ALA 21 CO 0.00 1.13 -1.23 -0.07 0.00 0.00 0.00 179.25 179.08 2kk1 h LEU 22 N -0.02 0.84 1.34 0.00 3.38 -1.55 -3.48 115.31 115.82 2kk1 h LEU 22 Ca -0.38 -0.84 -0.41 0.00 0.09 0.00 0.00 57.88 56.33 2kk1 h LEU 22 Cb 1.98 -0.27 -0.14 0.00 0.09 0.00 0.00 40.66 42.33 2kk1 h LEU 22 CO 0.10 1.61 -0.40 0.54 0.09 0.00 0.00 178.44 180.37 2kk1 n ARG 23 N -3.82 -1.49 0.19 1.13 1.74 -1.23 -4.84 116.66 108.33 2kk1 n ARG 23 Ca -0.14 1.16 0.06 0.00 -0.77 0.00 0.00 57.85 58.16 2kk1 n ARG 23 Cb 0.98 -5.59 0.28 0.00 -1.02 0.00 0.00 32.46 27.11 2kk1 n ARG 23 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2kk1 h LYS 24 N 0.00 0.00 -6.03 5.56 1.79 -1.93 -3.44 116.57 112.52 2kk1 h LYS 24 Ca -0.43 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.43 2kk1 h LYS 24 Cb 1.33 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.93 2kk1 h LYS 24 CO 0.60 0.35 -0.53 0.95 -1.08 0.00 0.00 179.45 179.74 2kk1 s THR 25 N -3.41 5.06 -0.06 -0.16 -4.23 -1.26 -5.06 115.64 106.51 2kk1 s THR 25 Ca 0.02 -0.60 -0.30 0.00 -1.18 0.00 0.00 61.69 59.63 2kk1 s THR 25 Cb 0.09 -3.49 -0.05 0.00 1.34 0.00 0.00 72.50 70.40 2kk1 s THR 25 CO 0.69 0.08 1.63 -0.54 -0.54 0.00 0.00 174.62 175.94 2kk1 s LYS 26 N -2.62 4.19 -0.14 3.99 1.02 -1.26 -4.90 119.74 120.01 2kk1 s LYS 26 Ca 0.33 2.15 -0.03 0.00 0.02 0.00 0.00 55.97 58.45 2kk1 s LYS 26 Cb -0.12 -3.96 -0.24 0.00 -0.52 0.00 0.00 37.83 32.98 2kk1 s LYS 26 CO 0.26 -0.83 0.28 0.00 -0.92 0.00 0.00 175.35 174.13 2kk1 n GLN 27 N 7.06 0.73 -3.56 1.68 10.64 -1.26 -5.01 117.38 127.66 2kk1 n GLN 27 Ca 0.17 0.24 -0.13 0.00 -1.83 0.00 0.00 57.00 55.44 2kk1 n GLN 27 Cb 0.43 -1.68 -0.06 0.00 -0.86 0.00 0.00 30.24 28.08 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 -2.55 -1.87 0.57 2.61 0.00 -1.26 -5.03 121.76 114.23 2kk1 s ALA 28 Ca -0.23 1.51 0.27 0.00 0.00 0.00 0.00 51.96 53.52 2kk1 s ALA 28 Cb 0.07 -0.49 1.55 0.00 0.00 0.00 0.00 23.12 24.25 2kk1 s ALA 28 CO 0.75 -0.33 2.07 0.00 0.00 0.00 0.00 175.76 178.24 2kk1 h ALA 29 N 2.90 2.00 -0.57 0.00 0.00 -1.95 0.83 119.26 122.47 2kk1 h ALA 29 Ca -0.23 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.73 2kk1 h ALA 29 Cb 1.15 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 2kk1 h ALA 29 CO 0.32 -0.38 0.30 0.93 0.00 0.00 0.00 179.25 180.43 2kk1 h GLU 30 N 0.00 0.56 0.00 0.00 4.39 -1.99 -3.20 114.58 114.33 2kk1 h GLU 30 Ca 0.12 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.63 2kk1 h GLU 30 Cb 0.61 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 2kk1 h GLU 30 CO -0.00 0.37 -1.55 1.63 -1.16 0.00 0.00 179.01 178.30 2kk1 n LYS 31 N -4.85 0.63 -2.01 2.33 4.76 0.08 -4.83 118.16 114.28 2kk1 n LYS 31 Ca 0.06 0.14 -0.42 0.00 -2.87 0.00 0.00 58.31 55.22 2kk1 n LYS 31 Cb 0.15 -1.75 -0.03 0.00 -1.84 0.00 0.00 35.03 31.56 2kk1 n LYS 31 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2kk1 s ILE 32 N -2.98 3.46 0.31 -0.18 1.01 -0.05 -4.88 121.20 117.90 2kk1 s ILE 32 Ca -0.04 0.44 0.05 0.00 0.00 0.00 0.00 60.65 61.10 2kk1 s ILE 32 Cb 0.09 -3.70 0.30 0.00 0.01 0.00 0.00 42.46 39.16 2kk1 s ILE 32 CO 0.82 -0.50 1.82 0.77 0.00 0.00 0.00 174.94 177.85 2kk1 h SER 33 N 13.29 0.82 -0.90 3.58 4.64 -1.88 -1.97 113.55 131.13 2kk1 h SER 33 Ca -0.32 0.06 0.24 0.00 -0.47 0.00 0.00 61.79 61.31 2kk1 h SER 33 Cb 1.17 -0.09 -0.14 0.00 -0.31 0.00 0.00 62.40 63.03 2kk1 h SER 33 CO 1.07 0.38 0.33 0.00 -0.87 0.00 0.00 176.83 177.74 2kk1 h ALA 34 N 1.59 1.42 0.00 5.18 0.00 -1.90 0.43 119.26 125.98 2kk1 h ALA 34 Ca 0.52 0.20 -0.12 0.00 0.00 0.00 0.00 54.91 55.51 2kk1 h ALA 34 Cb 0.71 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2kk1 h ALA 34 CO -0.30 -0.44 -0.58 0.22 0.00 0.00 0.00 179.25 178.15 2kk1 h ASP 35 N 0.29 0.00 1.07 0.00 3.58 -1.63 -3.17 116.42 116.56 2kk1 h ASP 35 Ca 0.58 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.87 2kk1 h ASP 35 Cb 1.17 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.20 2kk1 h ASP 35 CO -0.61 0.58 -0.75 0.50 -2.88 0.00 0.00 179.24 176.09 2kk1 h LYS 36 N 0.00 0.00 -5.69 0.28 3.11 -0.27 -3.42 116.57 110.57 2kk1 h LYS 36 Ca -0.01 0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.56 2kk1 h LYS 36 Cb 1.26 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.44 2kk1 h LYS 36 CO 0.08 0.75 0.68 0.42 -2.81 0.00 0.00 179.45 178.57 2kk1 s ILE 37 N -2.99 3.42 0.45 2.00 -1.09 0.78 -4.96 121.20 118.81 2kk1 s ILE 37 Ca 0.01 -0.35 -0.19 0.00 -2.23 0.00 0.00 60.65 57.89 2kk1 s ILE 37 Cb 0.10 -3.94 -0.10 0.00 -1.58 0.00 0.00 42.46 36.94 2kk1 s ILE 37 CO 0.78 -0.88 0.95 -0.44 -1.23 0.00 0.00 174.94 174.11 2kk1 s SER 38 N 8.22 6.84 0.14 3.58 0.01 -1.26 -4.83 113.70 126.40 2kk1 s SER 38 Ca 0.72 1.63 -0.28 0.00 1.31 0.00 0.00 55.95 59.33 2kk1 s SER 38 Cb -0.07 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 2kk1 s SER 38 CO -0.00 -0.42 1.58 0.50 0.41 0.00 0.00 173.24 175.31 2kk1 h LYS 39 N 1.63 -0.37 -0.48 12.44 3.64 -1.99 -1.51 116.57 129.93 2kk1 h LYS 39 Ca -0.48 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.01 2kk1 h LYS 39 Cb 1.18 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 33.01 2kk1 h LYS 39 CO 0.61 -0.25 -0.01 1.05 -2.27 0.00 0.00 179.45 178.59 2kk1 h GLU 40 N -0.39 0.10 -0.46 1.90 4.11 -1.99 -2.05 114.58 115.80 2kk1 h GLU 40 Ca 0.11 -0.01 0.05 0.00 0.07 0.00 0.00 59.36 59.59 2kk1 h GLU 40 Cb 0.60 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 2kk1 h GLU 40 CO -0.50 0.07 0.18 0.00 0.07 0.00 0.00 179.01 178.84 2kk1 h ALA 41 N 1.43 0.56 -0.25 1.06 0.00 -1.69 -0.52 119.26 119.84 2kk1 h ALA 41 Ca 0.24 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2kk1 h ALA 41 Cb 0.36 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2kk1 h ALA 41 CO -0.40 -0.20 0.12 1.25 0.00 0.00 0.00 179.25 180.02 2kk1 h LEU 42 N 0.37 0.33 -0.77 0.00 6.46 -1.05 -1.86 115.31 118.79 2kk1 h LEU 42 Ca 0.21 -0.13 0.02 0.00 -0.12 0.00 0.00 57.88 57.87 2kk1 h LEU 42 Cb 0.19 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 39.99 2kk1 h LEU 42 CO -0.20 0.37 0.50 -0.07 -0.62 0.00 0.00 178.44 178.42 2kk1 h LEU 43 N 0.28 0.84 -0.20 2.25 3.38 -0.79 0.27 115.31 121.33 2kk1 h LEU 43 Ca 0.09 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2kk1 h LEU 43 Cb 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2kk1 h LEU 43 CO -0.01 0.59 0.01 -0.33 0.09 0.00 0.00 178.44 178.79 2kk1 h GLU 44 N 0.99 0.35 -0.56 1.13 4.39 -1.02 -0.53 114.58 119.33 2kk1 h GLU 44 Ca 0.30 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 2kk1 h GLU 44 Cb -0.03 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 2kk1 h GLU 44 CO -0.09 0.53 0.33 0.00 -1.16 0.00 0.00 179.01 178.62 2kk1 h ALA 46 N 1.60 0.46 -0.38 0.00 0.00 -0.80 -3.10 119.26 117.04 2kk1 h ALA 46 Ca 0.20 -0.55 0.10 0.00 0.00 0.00 0.00 54.91 54.66 2kk1 h ALA 46 Cb -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2kk1 h ALA 46 CO -0.04 0.69 0.27 0.22 0.00 0.00 0.00 179.25 180.39 2kk1 h ASP 47 N 0.56 0.03 -0.54 0.00 3.58 -0.63 -0.81 116.42 118.61 2kk1 h ASP 47 Ca -0.01 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.53 2kk1 h ASP 47 Cb 1.25 -0.01 -0.08 0.00 1.72 0.00 0.00 39.33 42.22 2kk1 h ASP 47 CO 0.13 0.02 0.12 -0.07 -2.88 0.00 0.00 179.24 176.56 2kk1 h LEU 48 N 0.04 0.02 -0.39 2.28 3.38 -1.41 -0.10 115.31 119.13 2kk1 h LEU 48 Ca 0.18 0.10 -0.16 0.00 0.09 0.00 0.00 57.88 58.08 2kk1 h LEU 48 Cb 0.66 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2kk1 h LEU 48 CO -0.01 0.03 -0.41 -0.07 0.09 0.00 0.00 178.44 178.08 2kk1 h LEU 49 N 0.26 0.98 -0.34 1.67 4.07 -1.30 -0.10 115.31 120.56 2kk1 h LEU 49 Ca 0.28 -0.46 0.06 0.00 0.08 0.00 0.00 57.88 57.83 2kk1 h LEU 49 Cb 0.38 -0.28 -0.05 0.00 1.08 0.00 0.00 40.66 41.79 2kk1 h LEU 49 CO -0.35 1.26 0.02 -1.28 -1.08 0.00 0.00 178.44 177.01 2kk1 h SER 50 N 0.74 -0.08 -0.06 -0.43 0.87 -0.96 0.59 113.55 114.21 2kk1 h SER 50 Ca 0.05 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 2kk1 h SER 50 Cb 1.00 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2kk1 h SER 50 CO 0.10 -0.01 -0.03 -1.28 -0.53 0.00 0.00 176.83 175.08 2kk1 h SER 51 N 0.13 0.14 -0.21 6.23 0.87 -1.00 -3.01 113.55 116.70 2kk1 h SER 51 Ca 0.16 -0.43 0.03 0.00 -1.23 0.00 0.00 61.79 60.32 2kk1 h SER 51 Cb 0.21 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2kk1 h SER 51 CO -0.25 0.53 0.14 0.00 -0.53 0.00 0.00 176.83 176.73 2kk1 h ALA 52 N 0.61 2.00 0.00 6.23 0.00 -0.75 -0.11 119.26 127.24 2kk1 h ALA 52 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kk1 h ALA 52 Cb 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2kk1 h ALA 52 CO 0.01 -0.03 -0.21 -0.07 0.00 0.00 0.00 179.25 178.95 2kk1 h LEU 53 N 0.16 0.00 -2.69 0.00 3.38 -0.92 -3.19 115.31 112.05 2kk1 h LEU 53 Ca 0.09 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2kk1 h LEU 53 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2kk1 h LEU 53 CO -0.01 0.02 0.00 0.35 0.09 0.00 0.00 178.44 178.89 2kk1 n THR 54 N -2.50 1.29 -3.84 0.22 -2.24 -0.09 -4.88 114.28 102.24 2kk1 n THR 54 Ca 0.04 -0.99 -0.10 0.00 -2.27 0.00 0.00 64.05 60.73 2kk1 n THR 54 Cb 0.47 0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.45 0.73 -0.04 -0.78 -1.05 -1.00 -5.06 118.70 110.06 2kk1 s GLU 55 Ca 0.46 -0.71 -0.30 0.00 -0.15 0.00 0.00 54.97 54.28 2kk1 s GLU 55 Cb 0.27 0.30 -0.06 0.00 -0.44 0.00 0.00 34.13 34.21 2kk1 s GLU 55 CO 0.27 -0.22 1.58 -2.14 0.95 0.00 0.00 175.26 175.70 2kk1 s PRO 56 N -2.89 4.20 0.06 -4.83 0.02 -1.26 -4.83 135.00 125.47 2kk1 s PRO 56 Ca -0.03 2.13 -0.04 0.00 0.02 0.00 0.00 61.00 63.09 2kk1 s PRO 56 Cb 0.00 -3.85 -0.02 0.00 0.02 0.00 0.00 34.50 30.65 2kk1 s PRO 56 CO -0.06 -0.78 0.05 0.14 -0.33 0.00 0.00 177.00 176.03 2kk1 s VAL 57 N 3.53 0.18 0.28 3.83 -7.23 -1.26 -5.03 120.40 114.71 2kk1 s VAL 57 Ca 0.70 -1.49 -0.30 0.00 -1.81 0.00 0.00 61.98 59.09 2kk1 s VAL 57 Cb -0.33 -1.33 -0.11 0.00 0.56 0.00 0.00 36.38 35.18 2kk1 s VAL 57 CO 0.28 -0.82 1.51 -2.16 -0.31 0.00 0.00 175.10 173.60 2kk1 s PRO 58 N -3.61 4.19 0.41 4.82 0.04 -1.26 -4.34 135.00 135.25 2kk1 s PRO 58 Ca 0.04 2.45 0.08 0.00 0.04 0.00 0.00 61.00 63.61 2kk1 s PRO 58 Cb 0.05 -3.05 0.87 0.00 0.04 0.00 0.00 34.50 32.40 2kk1 s PRO 58 CO -0.09 -0.52 2.03 -0.97 0.04 0.00 0.00 177.00 177.49 2kk1 h ASN 59 N 4.68 0.49 -0.43 6.66 -0.00 -1.20 -0.91 115.58 124.88 2kk1 h ASN 59 Ca -0.47 -0.01 0.04 0.00 -0.00 0.00 0.00 56.30 55.87 2kk1 h ASN 59 Cb 1.22 -0.11 -0.04 0.00 -0.00 0.00 0.00 38.32 39.38 2kk1 h ASN 59 CO 0.77 0.34 0.18 0.77 -0.00 0.00 0.00 177.43 179.48 2kk1 h SER 60 N 0.57 0.23 -0.31 1.15 4.64 -1.89 -2.39 113.55 115.54 2kk1 h SER 60 Ca 0.20 0.04 0.06 0.00 -0.47 0.00 0.00 61.79 61.62 2kk1 h SER 60 Cb 0.10 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.14 2kk1 h SER 60 CO -0.05 0.17 -0.00 -0.61 -0.87 0.00 0.00 176.83 175.46 2kk1 h GLN 61 N 0.37 0.08 -0.23 4.77 4.15 -1.55 -0.26 115.11 122.44 2kk1 h GLN 61 Ca 0.19 -0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.66 2kk1 h GLN 61 Cb 0.15 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.77 2kk1 h GLN 61 CO -0.17 0.05 -0.08 -0.07 -1.93 0.00 0.00 178.83 176.64 2kk1 h LEU 62 N 0.09 -0.27 -0.11 -2.39 3.38 -1.26 0.35 115.31 115.08 2kk1 h LEU 62 Ca 0.15 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2kk1 h LEU 62 Cb 0.21 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2kk1 h LEU 62 CO -0.26 -0.10 0.01 0.58 0.09 0.00 0.00 178.44 178.76 2kk1 h VAL 63 N -0.03 1.23 -0.51 1.22 2.07 -1.12 -2.09 116.25 117.01 2kk1 h VAL 63 Ca 0.12 -0.72 -0.12 0.00 0.82 0.00 0.00 66.70 66.80 2kk1 h VAL 63 Cb 0.21 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2kk1 h VAL 63 CO -0.25 0.21 -0.14 -0.78 0.02 0.00 0.00 177.57 176.62 2kk1 h ASP 64 N -0.06 1.01 -0.44 0.57 3.58 -0.93 0.41 116.42 120.56 2kk1 h ASP 64 Ca 0.03 -0.37 -0.03 0.00 0.42 0.00 0.00 57.03 57.08 2kk1 h ASP 64 Cb 0.31 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 2kk1 h ASP 64 CO 0.00 1.14 0.14 0.74 -2.88 0.00 0.00 179.24 178.39 2kk1 h THR 65 N 0.86 1.22 0.00 2.25 2.02 -0.96 -2.12 112.91 116.18 2kk1 h THR 65 Ca 0.13 -0.72 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 2kk1 h THR 65 Cb 0.71 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2kk1 h THR 65 CO 0.05 0.26 -0.17 1.23 0.37 0.00 0.00 175.52 177.26 2kk1 h GLY 66 N 0.57 0.00 1.49 2.16 0.00 -1.21 -2.98 103.07 103.11 2kk1 h GLY 66 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 2kk1 h GLY 66 CO -0.01 0.00 0.11 0.84 0.00 0.00 0.00 176.54 177.49 2kk1 h HIS 67 N 0.00 0.66 0.00 5.60 6.17 -0.21 -2.14 115.15 125.22 2kk1 h HIS 67 Ca -0.00 -0.05 -0.15 0.00 0.71 0.00 0.00 60.37 60.88 2kk1 h HIS 67 Cb 0.42 -0.20 -0.02 0.00 2.52 0.00 0.00 27.41 30.13 2kk1 h HIS 67 CO 0.00 0.56 -0.71 -0.56 0.71 0.00 0.00 177.93 177.93 2kk1 h GLN 68 N 0.63 0.00 -0.73 5.26 3.07 -1.42 -3.20 115.11 118.72 2kk1 h GLN 68 Ca 0.15 0.00 0.08 0.00 0.09 0.00 0.00 58.65 58.97 2kk1 h GLN 68 Cb 0.23 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.74 2kk1 h GLN 68 CO -0.00 0.71 0.48 -0.07 0.09 0.00 0.00 178.83 180.04 2kk1 h LEU 69 N 0.00 0.62 -1.33 0.06 -0.00 -1.34 -0.86 115.31 112.46 2kk1 h LEU 69 Ca -0.01 0.01 0.08 0.00 -0.00 0.00 0.00 57.88 57.96 2kk1 h LEU 69 Cb 1.50 -0.12 -0.05 0.00 -0.00 0.00 0.00 40.66 41.99 2kk1 h LEU 69 CO 0.09 0.39 0.51 -0.07 -0.00 0.00 0.00 178.44 179.36 2kk1 h LEU 70 N 0.70 0.69 0.45 1.67 -0.00 -1.50 0.29 115.31 117.61 2kk1 h LEU 70 Ca 0.33 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 58.20 2kk1 h LEU 70 Cb 0.36 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 2kk1 h LEU 70 CO -0.11 0.43 -0.22 -0.78 -0.00 0.00 0.00 178.44 177.76 2kk1 h ASP 71 N 0.77 -0.51 -0.52 -0.43 3.58 -1.30 0.23 116.42 118.23 2kk1 h ASP 71 Ca 0.35 -0.09 0.06 0.00 0.42 0.00 0.00 57.03 57.77 2kk1 h ASP 71 Cb 0.35 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.50 2kk1 h ASP 71 CO -0.13 -0.16 0.35 1.88 -2.88 0.00 0.00 179.24 178.30 2kk1 h TYR 72 N -0.90 0.46 0.05 0.28 -1.99 -1.17 -0.04 116.97 113.66 2kk1 h TYR 72 Ca -0.06 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.68 2kk1 h TYR 72 Cb 0.57 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 39.15 2kk1 h TYR 72 CO 0.01 0.25 -0.02 0.00 -0.00 0.00 0.00 178.16 178.39 2kk1 h SER 74 N -0.71 0.45 0.08 0.00 4.64 -0.62 -1.76 113.55 115.62 2kk1 h SER 74 Ca -0.01 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2kk1 h SER 74 Cb 0.61 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2kk1 h SER 74 CO 0.01 0.36 -0.04 1.23 -0.87 0.00 0.00 176.83 177.52 2kk1 h GLY 75 N 0.58 -0.11 1.06 -0.77 0.00 -1.07 -3.31 103.07 99.46 2kk1 h GLY 75 Ca 0.14 0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.52 2kk1 h GLY 75 CO -0.02 -0.04 0.63 -1.82 0.00 0.00 0.00 176.54 175.28 2kk1 h TYR 76 N -0.87 1.19 -0.25 5.60 3.20 -1.04 -2.12 116.97 122.68 2kk1 h TYR 76 Ca -0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2kk1 h TYR 76 Cb 0.60 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 2kk1 h TYR 76 CO 0.13 0.74 0.14 -0.24 -1.64 0.00 0.00 178.16 177.29 2kk1 h VAL 77 N 1.27 1.08 0.00 1.81 3.04 -1.47 -0.08 116.25 121.91 2kk1 h VAL 77 Ca 0.35 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.84 2kk1 h VAL 77 Cb -0.13 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 29.89 2kk1 h VAL 77 CO -0.08 0.09 0.00 -0.78 -1.01 0.00 0.00 177.57 175.79 2kk1 h ASP 78 N 0.34 0.00 -0.39 3.17 3.58 -1.47 -2.34 116.42 119.32 2kk1 h ASP 78 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2kk1 h ASP 78 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2kk1 h ASP 78 CO -0.02 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.34 2kk1 s ILE 80 N -1.50 4.94 0.31 0.00 1.01 -0.88 -4.94 121.20 120.15 2kk1 s ILE 80 Ca 0.38 -0.63 0.15 0.00 0.00 0.00 0.00 60.65 60.55 2kk1 s ILE 80 Cb 0.21 -4.28 0.10 0.00 0.01 0.00 0.00 42.46 38.51 2kk1 s ILE 80 CO 0.30 -0.78 1.79 -0.65 0.00 0.00 0.00 174.94 175.60 2kk1 h PRO 81 N 8.96 0.00 -6.40 2.79 0.11 -1.88 -3.42 132.00 132.16 2kk1 h PRO 81 Ca -0.28 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.26 2kk1 h PRO 81 Cb 1.10 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.12 2kk1 h PRO 81 CO 0.96 0.39 0.83 -0.65 -0.21 0.00 0.00 178.00 179.32 2kk1 s GLN 82 N -3.96 3.51 0.46 1.05 1.11 -1.26 -4.91 119.66 115.66 2kk1 s GLN 82 Ca -0.02 0.18 0.12 0.00 0.01 0.00 0.00 55.36 55.65 2kk1 s GLN 82 Cb 0.13 -4.00 1.05 0.00 -1.01 0.00 0.00 33.01 29.19 2kk1 s GLN 82 CO 0.71 -1.54 2.08 1.15 0.01 0.00 0.00 175.29 177.70 2kk1 h THR 83 N 6.13 1.07 -0.11 -0.19 2.02 -1.98 -0.95 112.91 118.90 2kk1 h THR 83 Ca -0.25 -0.21 0.04 0.00 0.77 0.00 0.00 66.41 66.76 2kk1 h THR 83 Cb 1.06 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 68.32 2kk1 h THR 83 CO 1.14 0.08 -0.19 0.03 0.37 0.00 0.00 175.52 176.95 2kk1 h ARG 84 N 0.21 -0.24 -0.19 6.66 2.47 -1.97 0.32 114.38 121.64 2kk1 h ARG 84 Ca 0.05 0.02 -0.18 0.00 -1.26 0.00 0.00 59.98 58.61 2kk1 h ARG 84 Cb 0.06 0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.43 2kk1 h ARG 84 CO -0.01 -0.16 -0.61 -0.91 0.56 0.00 0.00 179.97 178.85 2kk1 h ASN 85 N -0.24 0.75 -0.98 7.04 2.35 -1.90 -3.02 115.58 119.58 2kk1 h ASN 85 Ca 0.09 -0.43 0.02 0.00 -0.55 0.00 0.00 56.30 55.44 2kk1 h ASN 85 Cb 0.38 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.48 2kk1 h ASN 85 CO -0.26 1.18 0.65 0.50 -1.65 0.00 0.00 177.43 177.85 2kk1 h LYS 86 N 0.49 1.25 -0.07 0.81 3.64 -0.68 0.19 116.57 122.20 2kk1 h LYS 86 Ca -0.01 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 2kk1 h LYS 86 Cb 1.19 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2kk1 h LYS 86 CO 0.12 0.83 -0.03 0.35 -2.27 0.00 0.00 179.45 178.45 2kk1 h PHE 87 N 1.29 0.17 -0.71 1.91 3.57 -0.41 -0.24 116.94 122.51 2kk1 h PHE 87 Ca 0.37 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.88 2kk1 h PHE 87 Cb -0.09 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 2kk1 h PHE 87 CO -0.00 0.50 0.47 0.00 -2.23 0.00 0.00 178.31 177.04 2kk1 h ALA 88 N 0.64 1.62 -0.10 2.41 0.00 -1.35 -0.74 119.26 121.74 2kk1 h ALA 88 Ca 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2kk1 h ALA 88 Cb 0.45 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2kk1 h ALA 88 CO 0.01 0.29 -0.01 0.35 0.00 0.00 0.00 179.25 179.89 2kk1 h PHE 89 N 0.83 0.20 -0.25 0.00 3.04 -0.48 -0.95 116.94 119.33 2kk1 h PHE 89 Ca 0.29 -0.04 0.02 0.00 3.98 0.00 0.00 57.97 62.22 2kk1 h PHE 89 Cb 0.11 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.55 2kk1 h PHE 89 CO -0.00 0.46 0.12 0.00 -2.02 0.00 0.00 178.31 176.87 2kk1 h ARG 90 N -0.11 0.25 -0.50 1.11 2.47 -0.56 -0.38 114.38 116.66 2kk1 h ARG 90 Ca 0.03 -0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.67 2kk1 h ARG 90 Cb 0.38 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.63 2kk1 h ARG 90 CO 0.01 0.16 0.08 1.05 0.56 0.00 0.00 179.97 181.83 2kk1 h GLU 91 N 0.26 0.83 -0.55 0.04 4.11 -1.18 0.31 114.58 118.40 2kk1 h GLU 91 Ca 0.10 -0.22 0.03 0.00 0.07 0.00 0.00 59.36 59.34 2kk1 h GLU 91 Cb 0.03 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 2kk1 h GLU 91 CO -0.07 0.83 0.32 0.00 0.07 0.00 0.00 179.01 180.15 2kk1 h ALA 92 N 0.97 0.71 -0.55 1.06 0.00 -0.95 -0.27 119.26 120.23 2kk1 h ALA 92 Ca 0.15 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2kk1 h ALA 92 Cb 0.40 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2kk1 h ALA 92 CO 0.01 0.01 0.20 0.28 0.00 0.00 0.00 179.25 179.75 2kk1 h VAL 93 N 0.62 1.23 -0.20 0.00 2.07 -0.91 -1.85 116.25 117.21 2kk1 h VAL 93 Ca 0.23 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 67.08 2kk1 h VAL 93 Cb 0.07 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2kk1 h VAL 93 CO -0.12 0.28 0.17 0.28 0.02 0.00 0.00 177.57 178.19 2kk1 h SER 94 N 0.75 0.00 -0.05 0.57 0.02 -0.24 -0.65 113.55 113.95 2kk1 h SER 94 Ca 0.18 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 2kk1 h SER 94 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2kk1 h SER 94 CO -0.01 0.00 -0.23 0.11 -1.14 0.00 0.00 176.83 175.56 2kk1 h LYS 95 N 0.00 0.25 0.20 3.45 1.57 -0.47 -3.13 116.57 118.44 2kk1 h LYS 95 Ca 0.10 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2kk1 h LYS 95 Cb 0.43 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2kk1 h LYS 95 CO -0.00 0.84 -0.10 1.25 -0.57 0.00 0.00 179.45 180.88 2kk1 h LEU 96 N -0.29 -0.23 -0.97 2.94 5.85 -0.39 -1.18 115.31 121.05 2kk1 h LEU 96 Ca -0.01 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 2kk1 h LEU 96 Cb 0.88 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 2kk1 h LEU 96 CO 0.05 -0.14 0.47 1.05 -0.34 0.00 0.00 178.44 179.53 2kk1 h GLU 97 N -0.29 1.19 -0.40 1.25 4.11 -1.33 0.34 114.58 119.45 2kk1 h GLU 97 Ca -0.03 -0.14 -0.02 0.00 0.07 0.00 0.00 59.36 59.25 2kk1 h GLU 97 Cb 0.23 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2kk1 h GLU 97 CO 0.04 0.87 0.18 -0.07 0.07 0.00 0.00 179.01 180.10 2kk1 h LEU 98 N 1.19 0.54 -1.27 3.06 -0.00 -1.46 -1.37 115.31 116.00 2kk1 h LEU 98 Ca 0.30 -0.14 -0.07 0.00 -0.00 0.00 0.00 57.88 57.97 2kk1 h LEU 98 Cb 0.03 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.54 2kk1 h LEU 98 CO -0.05 0.53 -0.23 0.28 -0.00 0.00 0.00 178.44 178.97 2kk1 h SER 99 N 0.51 0.20 -0.25 -0.43 0.02 -0.70 -1.21 113.55 111.69 2kk1 h SER 99 Ca 0.14 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 2kk1 h SER 99 Cb 0.15 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 2kk1 h SER 99 CO -0.01 0.44 -0.19 -0.07 -1.14 0.00 0.00 176.83 175.85 2kk1 h LEU 100 N 0.19 0.60 -0.63 5.07 3.38 -0.67 0.48 115.31 123.74 2kk1 h LEU 100 Ca 0.03 -0.45 -0.15 0.00 0.09 0.00 0.00 57.88 57.40 2kk1 h LEU 100 Cb 0.52 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2kk1 h LEU 100 CO 0.04 0.92 -0.53 0.06 0.09 0.00 0.00 178.44 179.02 2kk1 h GLN 101 N 0.28 0.42 -0.00 1.13 3.07 -1.07 -2.80 115.11 116.14 2kk1 h GLN 101 Ca 0.05 -0.26 -0.19 0.00 0.09 0.00 0.00 58.65 58.34 2kk1 h GLN 101 Cb 0.73 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.31 2kk1 h GLN 101 CO 0.05 0.85 -0.83 1.05 0.09 0.00 0.00 178.83 180.04 2kk1 h GLU 102 N 0.33 0.16 0.63 0.06 4.11 -1.26 -3.35 114.58 115.26 2kk1 h GLU 102 Ca 0.01 -0.16 -0.02 0.00 0.07 0.00 0.00 59.36 59.25 2kk1 h GLU 102 Cb 1.04 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2kk1 h GLU 102 CO 0.09 0.90 -0.51 1.25 0.07 0.00 0.00 179.01 180.82 2kk1 h LEU 103 N 0.09 -1.35 -2.09 3.06 5.85 -0.71 0.13 115.31 120.30 2kk1 h LEU 103 Ca -0.03 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.84 2kk1 h LEU 103 Cb 1.45 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 42.89 2kk1 h LEU 103 CO 0.12 -0.71 0.33 0.06 -0.34 0.00 0.00 178.44 177.90 2kk1 h GLN 104 N -1.10 0.00 0.00 1.25 3.07 -1.63 0.44 115.11 117.14 2kk1 h GLN 104 Ca -0.08 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.59 2kk1 h GLN 104 Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.47 2kk1 h GLN 104 CO 0.01 0.00 -1.97 1.33 0.09 0.00 0.00 178.83 178.29 2kk1 n VAL 105 N -3.38 0.27 0.81 1.86 0.24 -1.11 -4.53 118.33 112.49 2kk1 n VAL 105 Ca 0.02 -0.52 0.09 0.00 -2.04 0.00 0.00 64.34 61.89 2kk1 n VAL 105 Cb 0.44 -0.07 -0.01 0.00 -1.47 0.00 0.00 33.84 32.74 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 1.74 -0.04 -1.34 7.64 0.45 -4.68 113.62 115.10 2kk1 n SER 106 Ca -0.09 -1.37 -0.02 0.00 1.01 0.00 0.00 58.87 58.40 2kk1 n SER 106 Cb 0.63 0.48 -0.01 0.00 -1.01 0.00 0.00 64.21 64.31 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 1.96 0.00 -0.29 6.43 4.64 -0.45 -3.47 113.55 122.36 2kk1 h SER 107 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2kk1 h SER 107 Cb 0.61 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.65 2kk1 h SER 107 CO 0.00 0.38 -0.11 0.00 -0.87 0.00 0.00 176.83 176.22 2kk1 n ALA 108 N -2.85 -0.09 -2.85 5.18 0.00 -1.26 -4.92 120.51 113.71 2kk1 n ALA 108 Ca -0.03 0.10 -0.26 0.00 0.00 0.00 0.00 53.44 53.25 2kk1 n ALA 108 Cb 0.10 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.09 2kk1 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kk1 s ALA 109 N -1.71 3.72 -0.10 0.00 0.00 -1.26 -5.06 121.76 117.35 2kk1 s ALA 109 Ca 0.00 -1.15 -0.03 0.00 0.00 0.00 0.00 51.96 50.78 2kk1 s ALA 109 Cb 0.00 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.59 2kk1 s ALA 109 CO 0.00 0.51 -0.06 0.00 0.00 0.00 0.00 175.76 176.20 2kk1 h ALA 110 N 2.27 0.00 -0.21 0.00 0.00 -1.95 -3.41 119.26 115.96 2kk1 h ALA 110 Ca -0.48 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.02 2kk1 h ALA 110 Cb 1.20 0.17 -0.22 0.00 0.00 0.00 0.00 17.79 18.95 2kk1 h ALA 110 CO 0.65 0.17 -0.55 0.41 0.00 0.00 0.00 179.25 179.93 2kk1 n GLY 111 N 1.74 1.60 3.58 0.00 0.00 -1.26 -0.80 105.19 110.04 2kk1 n GLY 111 Ca -0.02 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.77 5.05 -0.00 1.61 1.01 -1.26 -4.29 120.40 121.74 2kk1 s VAL 112 Ca 0.20 0.51 -0.30 0.00 0.00 0.00 0.00 61.98 62.39 2kk1 s VAL 112 Cb 0.42 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.84 2kk1 s VAL 112 CO -0.07 -0.09 1.70 -2.16 0.00 0.00 0.00 175.10 174.48 2kk1 s PRO 113 N 2.33 4.18 -0.96 2.72 0.04 -1.26 -2.50 135.00 139.55 2kk1 s PRO 113 Ca 0.19 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2kk1 s PRO 113 Cb -0.16 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.48 2kk1 s PRO 113 CO 0.12 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 176.74 2kk1 n GLY 114 N 4.15 0.22 0.31 0.56 0.00 -1.26 -4.92 105.19 104.25 2kk1 n GLY 114 Ca 0.17 -0.47 0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 1.13 -3.98 2.61 1.03 -1.91 -3.43 112.91 108.36 2kk1 h THR 115 Ca -0.24 -0.28 -0.35 0.00 -0.01 0.00 0.00 66.41 65.52 2kk1 h THR 115 Cb 1.07 0.50 -0.26 0.00 -1.07 0.00 0.00 68.15 68.39 2kk1 h THR 115 CO 0.30 0.13 -0.76 0.54 -0.01 0.00 0.00 175.52 175.72 2kk1 s ASN 116 N -6.65 0.96 0.61 0.00 2.20 -1.26 -5.03 114.94 105.77 2kk1 s ASN 116 Ca -0.09 -0.28 0.31 0.00 -0.94 0.00 0.00 52.86 51.87 2kk1 s ASN 116 Cb 0.17 -0.06 1.74 0.00 -2.00 0.00 0.00 41.25 41.10 2kk1 s ASN 116 CO 0.74 0.01 2.10 -0.65 -2.94 0.00 0.00 177.10 176.36 2kk1 h PRO 117 N 5.46 0.00 -0.65 3.55 0.11 -1.97 -1.94 132.00 136.56 2kk1 h PRO 117 Ca -0.32 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.85 2kk1 h PRO 117 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 2kk1 h PRO 117 CO 0.47 0.00 0.43 0.28 -0.21 0.00 0.00 178.00 178.97 2kk1 h VAL 118 N 0.00 1.01 -0.64 3.15 2.07 -1.96 -1.57 116.25 118.32 2kk1 h VAL 118 Ca 0.07 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.43 2kk1 h VAL 118 Cb 0.49 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 2kk1 h VAL 118 CO -0.00 0.12 0.34 -0.07 0.02 0.00 0.00 177.57 177.97 2kk1 h LEU 119 N 0.65 0.48 -0.92 2.57 3.38 -1.73 0.83 115.31 120.57 2kk1 h LEU 119 Ca 0.28 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.19 2kk1 h LEU 119 Cb 0.26 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2kk1 h LEU 119 CO -0.09 0.31 -0.25 -1.13 0.09 0.00 0.00 178.44 177.37 2kk1 h ASN 120 N 0.62 0.49 -0.76 -0.43 -1.24 -1.48 -2.39 115.58 110.40 2kk1 h ASN 120 Ca 0.29 -0.17 -0.04 0.00 0.71 0.00 0.00 56.30 57.09 2kk1 h ASN 120 Cb 0.21 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.10 2kk1 h ASN 120 CO -0.20 0.74 0.32 0.78 -1.29 0.00 0.00 177.43 177.79 2kk1 h ASN 121 N 0.43 1.04 -0.04 1.15 2.35 -0.49 -1.41 115.58 118.62 2kk1 h ASN 121 Ca 0.06 -0.15 0.02 0.00 -0.55 0.00 0.00 56.30 55.68 2kk1 h ASN 121 Cb 0.67 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 2kk1 h ASN 121 CO 0.05 0.91 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.61 2kk1 h LEU 122 N 1.11 -0.19 -0.40 1.61 3.38 -0.53 -0.42 115.31 119.88 2kk1 h LEU 122 Ca 0.26 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.34 2kk1 h LEU 122 Cb 0.18 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 2kk1 h LEU 122 CO -0.02 -0.09 -0.06 0.25 0.09 0.00 0.00 178.44 178.60 2kk1 h LEU 123 N -0.09 -0.30 -0.28 1.67 5.85 -1.11 0.14 115.31 121.18 2kk1 h LEU 123 Ca 0.04 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.91 2kk1 h LEU 123 Cb 0.15 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2kk1 h LEU 123 CO -0.10 -0.10 0.07 -1.28 -0.34 0.00 0.00 178.44 176.69 2kk1 h SER 124 N 0.04 0.05 0.03 1.25 0.87 -1.01 -1.21 113.55 113.57 2kk1 h SER 124 Ca 0.20 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2kk1 h SER 124 Cb 0.29 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2kk1 h SER 124 CO -0.38 0.06 -0.01 0.00 -0.53 0.00 0.00 176.83 175.96 2kk1 h VAL 126 N -0.25 1.04 -0.77 0.00 2.07 -0.66 -0.40 116.25 117.28 2kk1 h VAL 126 Ca -0.00 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2kk1 h VAL 126 Cb 0.23 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 2kk1 h VAL 126 CO 0.01 0.09 0.45 1.56 0.02 0.00 0.00 177.57 179.69 2kk1 h GLN 127 N 0.48 1.06 -0.08 1.57 4.20 -1.23 -0.24 115.11 120.88 2kk1 h GLN 127 Ca 0.16 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 2kk1 h GLN 127 Cb 0.01 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.57 2kk1 h GLN 127 CO -0.08 0.76 0.04 1.49 -0.67 0.00 0.00 178.83 180.37 2kk1 h GLU 128 N 1.06 0.11 -0.07 1.46 4.57 -0.93 0.25 114.58 121.02 2kk1 h GLU 128 Ca 0.28 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.48 2kk1 h GLU 128 Cb -0.01 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.51 2kk1 h GLU 128 CO -0.05 0.20 -0.22 0.82 -1.18 0.00 0.00 179.01 178.58 2kk1 h ILE 129 N -0.01 0.46 -0.58 2.32 2.04 -0.88 0.24 117.51 121.10 2kk1 h ILE 129 Ca 0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.92 2kk1 h ILE 129 Cb 0.13 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 2kk1 h ILE 129 CO -0.00 0.00 0.38 0.28 0.00 0.00 0.00 178.15 178.81 2kk1 h SER 130 N -0.32 0.56 -0.20 1.72 0.02 -0.93 -2.04 113.55 112.36 2kk1 h SER 130 Ca 0.08 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.90 2kk1 h SER 130 Cb 0.43 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2kk1 h SER 130 CO -0.25 0.38 -0.29 -0.78 -1.14 0.00 0.00 176.83 174.75 2kk1 h ASP 131 N 0.65 0.72 -0.13 3.07 3.58 0.50 -1.77 116.42 123.04 2kk1 h ASP 131 Ca 0.24 -0.28 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 2kk1 h ASP 131 Cb 0.13 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 2kk1 h ASP 131 CO -0.06 0.97 0.02 0.58 -2.88 0.00 0.00 179.24 177.87 2kk1 h VAL 132 N 0.60 1.13 -0.19 2.25 2.07 -0.27 0.46 116.25 122.30 2kk1 h VAL 132 Ca 0.07 -0.48 -0.11 0.00 0.82 0.00 0.00 66.70 67.00 2kk1 h VAL 132 Cb 0.80 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2kk1 h VAL 132 CO 0.07 0.16 -0.34 0.58 0.02 0.00 0.00 177.57 178.06 2kk1 h VAL 133 N 0.31 1.29 0.00 2.57 2.07 -1.12 -2.70 116.25 118.67 2kk1 h VAL 133 Ca 0.07 -1.41 -0.09 0.00 0.82 0.00 0.00 66.70 66.10 2kk1 h VAL 133 Cb 0.18 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2kk1 h VAL 133 CO 0.00 0.43 -0.42 1.56 0.02 0.00 0.00 177.57 179.17 2kk1 h GLN 134 N 0.34 0.00 0.00 1.57 4.20 -0.24 -3.52 115.11 117.47 2kk1 h GLN 134 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2kk1 h GLN 134 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2kk1 h GLN 134 CO 0.06 0.42 0.00 0.54 -0.67 0.00 0.00 178.83 179.18