#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk1 s GLY 2 N 0.00 1.04 0.00 -5.12 0.00 -1.26 -4.35 107.32 97.63 2kk1 s GLY 2 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 44.72 42.47 2kk1 s GLY 2 CO 0.00 2.93 0.08 1.42 0.00 0.00 0.00 173.10 177.53 2kk1 n HIS 3 N 10.24 0.00 0.00 1.90 -0.00 -1.26 -5.07 115.22 121.03 2kk1 n HIS 3 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.11 2kk1 n HIS 3 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.48 2kk1 n HIS 3 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kk1 n HIS 4 N 0.00 0.00 -3.62 4.41 -0.00 -1.26 -4.71 115.22 110.03 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 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.28 2kk1 n HIS 4 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kk1 s HIS 5 N 0.00 -0.05 0.20 4.41 0.00 -1.26 -5.18 115.29 113.41 2kk1 s HIS 5 Ca 0.00 -0.06 0.04 0.00 -3.00 0.00 0.00 55.06 52.04 2kk1 s HIS 5 Cb 0.00 0.55 -0.03 0.00 -4.00 0.00 0.00 32.58 29.10 2kk1 s HIS 5 CO 0.00 -0.30 0.31 -1.01 -1.00 0.00 0.00 174.74 172.74 2kk1 s HIS 6 N -2.46 3.44 -0.55 0.38 0.09 -1.26 -5.07 115.29 109.85 2kk1 s HIS 6 Ca 0.14 0.03 -0.18 0.00 -0.00 0.00 0.00 55.06 55.05 2kk1 s HIS 6 Cb 0.05 -1.60 0.10 0.00 -0.00 0.00 0.00 32.58 31.12 2kk1 s HIS 6 CO -0.04 0.48 0.61 -1.01 -0.00 0.00 0.00 174.74 174.78 2kk1 s HIS 7 N -1.88 3.09 -0.32 1.40 4.02 -1.26 -5.00 115.29 115.35 2kk1 s HIS 7 Ca 0.34 -0.94 0.04 0.00 1.02 0.00 0.00 55.06 55.52 2kk1 s HIS 7 Cb -0.10 -3.77 0.09 0.00 -1.02 0.00 0.00 32.58 27.78 2kk1 s HIS 7 CO 0.28 -1.13 0.00 -1.58 1.02 0.00 0.00 174.74 173.34 2kk1 s HIS 8 N 2.33 3.61 0.24 1.40 5.65 -1.26 -5.12 115.29 122.14 2kk1 s HIS 8 Ca 0.10 -2.79 0.01 0.00 0.25 0.00 0.00 55.06 52.62 2kk1 s HIS 8 Cb -0.24 -2.62 0.05 0.00 -1.18 0.00 0.00 32.58 28.58 2kk1 s HIS 8 CO 0.07 -0.93 0.33 0.45 -0.65 0.00 0.00 174.74 174.01 2kk1 n SER 9 N 4.31 0.51 -3.64 9.88 2.88 -1.26 -5.14 113.62 121.16 2kk1 n SER 9 Ca -0.02 -1.42 -0.10 0.00 -1.33 0.00 0.00 58.87 56.01 2kk1 n SER 9 Cb 0.42 -0.21 -0.07 0.00 -0.75 0.00 0.00 64.21 63.60 2kk1 n SER 9 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2kk1 s HIS 10 N -0.79 -0.70 -0.36 0.66 0.00 -1.26 -5.14 115.29 107.69 2kk1 s HIS 10 Ca 0.23 1.60 -0.18 0.00 -3.00 0.00 0.00 55.06 53.71 2kk1 s HIS 10 Cb -0.01 0.37 0.00 0.00 -4.00 0.00 0.00 32.58 28.94 2kk1 s HIS 10 CO 0.15 -0.34 0.51 0.00 -1.00 0.00 0.00 174.74 174.05 2kk1 s MET 11 N 0.66 3.54 0.46 -0.38 0.00 -1.26 -5.07 119.30 117.26 2kk1 s MET 11 Ca -0.02 -0.25 -0.12 0.00 0.00 0.00 0.00 55.69 55.30 2kk1 s MET 11 Cb -0.05 -3.83 -0.07 0.00 0.00 0.00 0.00 34.83 30.88 2kk1 s MET 11 CO -0.07 -0.68 0.86 0.00 0.00 0.00 0.00 175.02 175.12 2kk1 s ALA 12 N 2.38 3.24 0.80 3.16 0.00 -1.26 -5.06 121.76 125.03 2kk1 s ALA 12 Ca 0.18 -0.09 -0.12 0.00 0.00 0.00 0.00 51.96 51.93 2kk1 s ALA 12 Cb -0.16 -2.86 0.08 0.00 0.00 0.00 0.00 23.12 20.18 2kk1 s ALA 12 CO 0.14 -0.15 1.13 -0.80 0.00 0.00 0.00 175.76 176.07 2kk1 s ASN 13 N -3.27 4.03 0.00 0.00 -0.87 -1.26 -4.95 114.94 108.62 2kk1 s ASN 13 Ca 0.54 2.04 0.00 0.00 -1.57 0.00 0.00 52.86 53.87 2kk1 s ASN 13 Cb -0.10 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.58 2kk1 s ASN 13 CO 0.34 -2.36 0.00 0.61 -2.57 0.00 0.00 177.10 173.12 2kk1 n GLY 14 N -0.43 0.15 3.52 0.66 0.00 -1.26 -4.47 105.19 103.36 2kk1 n GLY 14 Ca 0.11 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.65 -2.38 -1.64 4.61 0.00 -1.26 -1.94 120.51 116.25 2kk1 n ALA 15 Ca 0.00 -1.00 -0.17 0.00 0.00 0.00 0.00 53.44 52.26 2kk1 n ALA 15 Cb 0.00 -2.03 -0.06 0.00 0.00 0.00 0.00 19.45 17.36 2kk1 n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kk1 n ALA 16 N -4.74 -0.30 -0.99 0.00 0.00 -1.26 -1.76 120.51 111.47 2kk1 n ALA 16 Ca 0.06 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2kk1 n ALA 16 Cb 0.54 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -0.88 0.58 0.33 0.00 0.00 -1.22 -4.93 105.19 99.06 2kk1 n GLY 17 Ca -0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.88 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 0.96 0.00 2.61 2.02 -0.65 -0.68 112.91 117.17 2kk1 h THR 18 Ca 0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2kk1 h THR 18 Cb 0.06 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 2kk1 h THR 18 CO 0.00 0.17 0.00 2.29 0.37 0.00 0.00 175.52 178.35 2kk1 n LYS 19 N -4.66 0.21 -3.28 6.66 2.85 -0.95 -4.07 118.16 114.92 2kk1 n LYS 19 Ca 0.15 0.23 -0.25 0.00 -1.05 0.00 0.00 58.31 57.39 2kk1 n LYS 19 Cb 0.26 -1.77 -0.08 0.00 -0.65 0.00 0.00 35.03 32.79 2kk1 n LYS 19 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 2kk1 n VAL 20 N -2.14 -0.50 0.12 0.58 0.31 -0.30 -4.90 118.33 111.49 2kk1 n VAL 20 Ca 0.05 -3.99 0.00 0.00 -0.01 0.00 0.00 64.34 60.39 2kk1 n VAL 20 Cb 0.37 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 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 1.73 3.00 1.57 3.52 0.00 -0.98 -4.83 120.51 124.52 2kk1 n ALA 21 Ca 0.24 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.75 2kk1 n ALA 21 Cb 0.50 0.06 0.44 0.00 0.00 0.00 0.00 19.45 20.45 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 -3.43 0.00 -3.49 0.00 4.77 -1.26 -4.21 117.00 109.38 2kk1 n LEU 22 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 2kk1 n LEU 22 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 2kk1 n LEU 22 CO 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 177.39 175.74 2kk1 s ARG 23 N -2.00 0.50 0.04 3.23 3.03 -1.26 -5.01 118.95 117.48 2kk1 s ARG 23 Ca 0.22 -1.18 -0.16 0.00 2.03 0.00 0.00 55.73 56.64 2kk1 s ARG 23 Cb 0.10 -1.31 -0.33 0.00 -1.03 0.00 0.00 34.95 32.38 2kk1 s ARG 23 CO 0.17 -1.17 1.05 0.87 -1.13 0.00 0.00 175.30 175.09 2kk1 h LYS 24 N 7.30 0.58 -6.50 3.89 1.79 -1.92 -3.46 116.57 118.26 2kk1 h LYS 24 Ca 0.00 -0.89 -0.52 0.00 -2.18 0.00 0.00 60.65 57.06 2kk1 h LYS 24 Cb 0.98 0.31 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 2kk1 h LYS 24 CO 0.31 1.42 -0.12 -0.08 -1.08 0.00 0.00 179.45 179.90 2kk1 s THR 25 N -2.78 4.99 0.10 -0.16 -1.32 -1.26 -5.08 115.64 110.14 2kk1 s THR 25 Ca -0.09 0.20 -0.24 0.00 -1.21 0.00 0.00 61.69 60.35 2kk1 s THR 25 Cb 0.05 -3.70 -0.07 0.00 -1.51 0.00 0.00 72.50 67.27 2kk1 s THR 25 CO 0.94 -0.27 0.72 -0.54 -2.21 0.00 0.00 174.62 173.26 2kk1 s LYS 26 N -3.38 4.47 -0.18 7.08 1.02 -1.26 -5.01 119.74 122.48 2kk1 s LYS 26 Ca 0.45 1.03 -0.15 0.00 0.02 0.00 0.00 55.97 57.32 2kk1 s LYS 26 Cb -0.11 -3.29 -0.10 0.00 -0.52 0.00 0.00 37.83 33.81 2kk1 s LYS 26 CO 0.28 0.49 -0.04 0.00 -0.92 0.00 0.00 175.35 175.16 2kk1 n GLN 27 N 2.02 0.51 -3.63 1.68 10.64 -1.26 -5.03 117.38 122.32 2kk1 n GLN 27 Ca -0.06 0.52 -0.14 0.00 -1.83 0.00 0.00 57.00 55.49 2kk1 n GLN 27 Cb 0.50 -1.69 -0.07 0.00 -0.86 0.00 0.00 30.24 28.12 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 -2.58 -1.78 0.35 2.61 0.00 -1.26 -5.05 121.76 114.04 2kk1 s ALA 28 Ca -0.23 2.00 0.16 0.00 0.00 0.00 0.00 51.96 53.89 2kk1 s ALA 28 Cb 0.04 -1.14 1.09 0.00 0.00 0.00 0.00 23.12 23.11 2kk1 s ALA 28 CO 0.40 -0.34 1.68 0.00 0.00 0.00 0.00 175.76 177.50 2kk1 h ALA 29 N 4.90 2.03 -0.92 0.00 0.00 -1.96 0.17 119.26 123.49 2kk1 h ALA 29 Ca -0.29 0.16 0.27 0.00 0.00 0.00 0.00 54.91 55.04 2kk1 h ALA 29 Cb 1.16 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2kk1 h ALA 29 CO 0.06 -0.60 0.66 0.93 0.00 0.00 0.00 179.25 180.31 2kk1 h GLU 30 N 0.36 0.02 0.00 0.00 4.39 -2.01 -2.06 114.58 115.28 2kk1 h GLU 30 Ca 0.71 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.41 2kk1 h GLU 30 Cb 1.66 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.30 2kk1 h GLU 30 CO -0.53 0.01 0.00 1.17 -1.16 0.00 0.00 179.01 178.50 2kk1 n LYS 31 N -4.27 0.51 -3.10 2.33 3.00 0.52 -5.02 118.16 112.14 2kk1 n LYS 31 Ca 0.19 -0.86 -0.40 0.00 -0.00 0.00 0.00 58.31 57.25 2kk1 n LYS 31 Cb 0.98 -0.98 -0.05 0.00 0.00 0.00 0.00 35.03 34.97 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 -0.37 5.02 0.15 3.15 1.01 -0.77 -4.94 121.20 124.44 2kk1 s ILE 32 Ca 0.00 1.26 -0.16 0.00 0.00 0.00 0.00 60.65 61.75 2kk1 s ILE 32 Cb 0.00 -3.97 0.01 0.00 0.01 0.00 0.00 42.46 38.51 2kk1 s ILE 32 CO 0.00 0.14 1.76 0.77 0.00 0.00 0.00 174.94 177.61 2kk1 h SER 33 N 7.29 0.50 -0.02 3.58 4.64 -1.93 -2.63 113.55 124.98 2kk1 h SER 33 Ca -0.33 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2kk1 h SER 33 Cb 1.15 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2kk1 h SER 33 CO 0.78 0.43 0.21 0.00 -0.87 0.00 0.00 176.83 177.38 2kk1 h ALA 34 N 1.09 1.25 0.00 5.18 0.00 -1.93 0.19 119.26 125.05 2kk1 h ALA 34 Ca 0.14 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.84 2kk1 h ALA 34 Cb 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2kk1 h ALA 34 CO -0.02 -0.22 -1.15 0.22 0.00 0.00 0.00 179.25 178.07 2kk1 h ASP 35 N 0.00 0.00 1.07 0.00 3.58 -1.77 -3.20 116.42 116.10 2kk1 h ASP 35 Ca 0.01 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 2kk1 h ASP 35 Cb 0.43 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 2kk1 h ASP 35 CO -0.00 0.92 -0.50 0.50 -2.88 0.00 0.00 179.24 177.29 2kk1 h LYS 36 N 0.00 0.00 -6.03 0.28 3.11 -0.65 -3.42 116.57 109.86 2kk1 h LYS 36 Ca -0.09 0.00 -0.49 0.00 -2.81 0.00 0.00 60.65 57.26 2kk1 h LYS 36 Cb 1.78 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.97 2kk1 h LYS 36 CO 0.11 0.50 1.26 0.42 -2.81 0.00 0.00 179.45 178.92 2kk1 s ILE 37 N -3.29 3.44 0.28 2.00 -1.09 -0.53 -4.96 121.20 117.06 2kk1 s ILE 37 Ca 0.01 0.18 0.06 0.00 -2.23 0.00 0.00 60.65 58.67 2kk1 s ILE 37 Cb 0.10 -4.16 -0.02 0.00 -1.58 0.00 0.00 42.46 36.80 2kk1 s ILE 37 CO 0.72 -1.12 0.38 -0.44 -1.23 0.00 0.00 174.94 173.26 2kk1 s SER 38 N 7.20 6.04 0.13 3.58 0.01 -1.26 -4.83 113.70 124.58 2kk1 s SER 38 Ca 0.61 -0.09 -0.24 0.00 1.31 0.00 0.00 55.95 57.54 2kk1 s SER 38 Cb -0.11 -1.52 -0.03 0.00 0.21 0.00 0.00 66.02 64.57 2kk1 s SER 38 CO 0.17 -0.22 1.65 0.50 0.41 0.00 0.00 173.24 175.75 2kk1 h LYS 39 N 1.11 -0.28 -0.25 12.44 3.11 -1.97 0.05 116.57 130.78 2kk1 h LYS 39 Ca -0.49 0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.31 2kk1 h LYS 39 Cb 1.24 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.52 2kk1 h LYS 39 CO 0.58 -0.19 -0.10 1.05 -2.81 0.00 0.00 179.45 177.98 2kk1 h GLU 40 N -0.29 0.40 -0.10 1.90 4.11 -1.97 -2.68 114.58 115.95 2kk1 h GLU 40 Ca 0.09 -0.10 -0.11 0.00 0.07 0.00 0.00 59.36 59.31 2kk1 h GLU 40 Cb 0.42 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2kk1 h GLU 40 CO -0.26 0.51 -0.41 0.00 0.07 0.00 0.00 179.01 178.92 2kk1 h ALA 41 N 1.52 1.11 -0.16 1.06 0.00 -1.68 -2.58 119.26 118.54 2kk1 h ALA 41 Ca 0.08 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 2kk1 h ALA 41 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2kk1 h ALA 41 CO 0.02 0.59 -0.46 1.25 0.00 0.00 0.00 179.25 180.65 2kk1 h LEU 42 N 0.20 0.68 -0.03 0.00 6.46 -0.84 -3.30 115.31 118.48 2kk1 h LEU 42 Ca 0.02 -0.59 0.02 0.00 -0.12 0.00 0.00 57.88 57.20 2kk1 h LEU 42 Cb 0.82 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 2kk1 h LEU 42 CO 0.06 1.15 -0.07 -0.07 -0.62 0.00 0.00 178.44 178.89 2kk1 h LEU 43 N 0.24 -0.19 -0.80 2.25 3.38 -1.31 -2.36 115.31 116.52 2kk1 h LEU 43 Ca -0.01 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.09 2kk1 h LEU 43 Cb 1.07 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 2kk1 h LEU 43 CO 0.10 -0.09 0.44 1.05 0.09 0.00 0.00 178.44 180.03 2kk1 h GLU 44 N -0.10 0.72 -0.55 1.13 4.11 -1.58 0.72 114.58 119.03 2kk1 h GLU 44 Ca 0.04 -0.04 -0.05 0.00 0.07 0.00 0.00 59.36 59.37 2kk1 h GLU 44 Cb 0.15 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2kk1 h GLU 44 CO -0.09 0.47 0.15 0.00 0.07 0.00 0.00 179.01 179.61 2kk1 h ALA 46 N 1.02 0.34 -0.62 0.00 0.00 -0.77 -2.93 119.26 116.30 2kk1 h ALA 46 Ca 0.17 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 54.93 2kk1 h ALA 46 Cb 0.32 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2kk1 h ALA 46 CO -0.00 0.14 0.42 -0.44 0.00 0.00 0.00 179.25 179.37 2kk1 h ASP 47 N 0.22 0.32 -0.23 0.00 5.19 -0.85 -1.21 116.42 119.86 2kk1 h ASP 47 Ca 0.06 0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.51 2kk1 h ASP 47 Cb 0.52 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.95 2kk1 h ASP 47 CO 0.02 0.19 0.04 -0.07 -3.12 0.00 0.00 179.24 176.30 2kk1 h LEU 48 N 0.36 -0.01 0.03 1.55 3.38 -1.28 0.76 115.31 120.09 2kk1 h LEU 48 Ca 0.29 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 2kk1 h LEU 48 Cb 0.67 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2kk1 h LEU 48 CO -0.08 0.03 -0.01 -0.07 0.09 0.00 0.00 178.44 178.40 2kk1 h LEU 49 N 0.12 -0.03 -0.86 1.67 4.07 -1.28 0.38 115.31 119.38 2kk1 h LEU 49 Ca 0.10 -0.09 0.12 0.00 0.08 0.00 0.00 57.88 58.09 2kk1 h LEU 49 Cb 0.11 0.01 -0.08 0.00 1.08 0.00 0.00 40.66 41.77 2kk1 h LEU 49 CO -0.15 0.07 0.48 -1.28 -1.08 0.00 0.00 178.44 176.49 2kk1 h SER 50 N -0.13 0.66 0.01 -0.43 0.87 -1.04 -1.07 113.55 112.43 2kk1 h SER 50 Ca -0.00 0.06 -0.19 0.00 -1.23 0.00 0.00 61.79 60.43 2kk1 h SER 50 Cb 0.12 -0.06 0.02 0.00 -0.44 0.00 0.00 62.40 62.04 2kk1 h SER 50 CO 0.01 0.34 -0.75 -1.28 -0.53 0.00 0.00 176.83 174.62 2kk1 h SER 51 N 0.76 0.63 -0.61 6.23 0.87 -0.75 -3.33 113.55 117.36 2kk1 h SER 51 Ca 0.43 -0.77 -0.02 0.00 -1.23 0.00 0.00 61.79 60.20 2kk1 h SER 51 Cb 0.48 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 2kk1 h SER 51 CO -0.29 1.33 0.31 0.00 -0.53 0.00 0.00 176.83 177.65 2kk1 h ALA 52 N 0.32 1.35 0.00 6.23 0.00 -0.52 -2.41 119.26 124.23 2kk1 h ALA 52 Ca -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kk1 h ALA 52 Cb 1.45 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2kk1 h ALA 52 CO 0.15 0.51 0.00 1.28 0.00 0.00 0.00 179.25 181.19 2kk1 n LEU 53 N -4.35 0.00 0.08 0.00 4.77 -0.44 -2.08 117.00 114.98 2kk1 n LEU 53 Ca 0.06 0.35 0.12 0.00 -0.03 0.00 0.00 56.01 56.51 2kk1 n LEU 53 Cb 0.13 -0.35 0.24 0.00 -2.33 0.00 0.00 43.42 41.10 2kk1 n LEU 53 CO 0.38 -0.20 0.52 0.71 -1.33 0.00 0.00 177.39 177.47 2kk1 h THR 54 N 0.00 0.00 -2.90 -5.08 1.35 -1.57 -3.47 112.91 101.24 2kk1 h THR 54 Ca 0.00 -0.53 -0.44 0.00 -0.55 0.00 0.00 66.41 64.88 2kk1 h THR 54 Cb 0.15 1.26 -0.14 0.00 -1.73 0.00 0.00 68.15 67.69 2kk1 h THR 54 CO 0.00 0.00 -0.70 -1.83 -0.25 0.00 0.00 175.52 172.74 2kk1 s GLU 55 N -3.16 1.38 0.03 4.72 -1.05 -0.88 -5.11 118.70 114.63 2kk1 s GLU 55 Ca 0.07 -1.66 -0.30 0.00 -0.15 0.00 0.00 54.97 52.93 2kk1 s GLU 55 Cb 0.12 -1.02 -0.08 0.00 -0.44 0.00 0.00 34.13 32.72 2kk1 s GLU 55 CO 0.68 0.09 1.69 -1.25 0.95 0.00 0.00 175.26 177.42 2kk1 s PRO 56 N -3.71 4.19 0.02 -4.83 0.04 -1.26 -4.91 135.00 124.54 2kk1 s PRO 56 Ca 0.25 2.33 -0.03 0.00 0.04 0.00 0.00 61.00 63.59 2kk1 s PRO 56 Cb 0.02 -3.78 -0.02 0.00 0.04 0.00 0.00 34.50 30.77 2kk1 s PRO 56 CO 0.08 -0.79 0.03 0.14 0.04 0.00 0.00 177.00 176.50 2kk1 s VAL 57 N 3.25 0.12 0.57 -0.36 -7.23 -1.25 -5.03 120.40 110.47 2kk1 s VAL 57 Ca 0.76 -0.97 -0.18 0.00 -1.81 0.00 0.00 61.98 59.78 2kk1 s VAL 57 Cb -0.38 -0.51 -0.04 0.00 0.56 0.00 0.00 36.38 36.01 2kk1 s VAL 57 CO 0.33 -0.53 1.11 -2.16 -0.31 0.00 0.00 175.10 173.53 2kk1 s PRO 58 N -1.83 3.26 0.07 4.82 0.04 -1.26 -4.30 135.00 135.80 2kk1 s PRO 58 Ca -0.12 1.48 -0.26 0.00 0.04 0.00 0.00 61.00 62.14 2kk1 s PRO 58 Cb -0.07 -2.01 -0.16 0.00 0.04 0.00 0.00 34.50 32.31 2kk1 s PRO 58 CO -0.02 -0.90 1.66 -0.97 0.04 0.00 0.00 177.00 176.82 2kk1 h ASN 59 N 0.87 -0.23 -0.97 6.66 -0.73 -1.91 -2.71 115.58 116.56 2kk1 h ASN 59 Ca -0.49 -0.02 0.13 0.00 1.87 0.00 0.00 56.30 57.78 2kk1 h ASN 59 Cb 1.25 0.06 -0.09 0.00 0.27 0.00 0.00 38.32 39.81 2kk1 h ASN 59 CO 0.56 -0.13 0.59 -1.28 -0.37 0.00 0.00 177.43 176.81 2kk1 h SER 60 N -0.32 0.85 -0.29 1.15 0.87 -1.97 -0.64 113.55 113.20 2kk1 h SER 60 Ca -0.03 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2kk1 h SER 60 Cb 0.25 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2kk1 h SER 60 CO 0.05 0.44 0.15 -0.61 -0.53 0.00 0.00 176.83 176.32 2kk1 h GLN 61 N 0.92 0.41 0.31 2.24 4.15 -1.92 -0.52 115.11 120.70 2kk1 h GLN 61 Ca 0.49 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.84 2kk1 h GLN 61 Cb 0.52 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.14 2kk1 h GLN 61 CO -0.28 0.38 -0.15 -0.07 -1.93 0.00 0.00 178.83 176.78 2kk1 h LEU 62 N 0.34 -0.35 -0.75 -2.39 3.38 -1.02 -1.63 115.31 112.90 2kk1 h LEU 62 Ca 0.10 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2kk1 h LEU 62 Cb 0.10 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2kk1 h LEU 62 CO -0.01 -0.20 0.49 0.58 0.09 0.00 0.00 178.44 179.39 2kk1 h VAL 63 N -0.48 1.20 0.32 1.22 2.07 -1.12 0.15 116.25 119.60 2kk1 h VAL 63 Ca -0.04 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2kk1 h VAL 63 Cb 0.36 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2kk1 h VAL 63 CO 0.07 0.19 -0.15 -0.78 0.02 0.00 0.00 177.57 176.92 2kk1 h ASP 64 N 1.01 -0.37 -0.27 0.57 3.58 -1.08 0.20 116.42 120.07 2kk1 h ASP 64 Ca 0.27 -0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.60 2kk1 h ASP 64 Cb -0.10 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 2kk1 h ASP 64 CO -0.06 -0.14 0.07 0.74 -2.88 0.00 0.00 179.24 176.97 2kk1 h THR 65 N -0.59 1.17 0.00 2.25 2.02 -1.17 -2.05 112.91 114.55 2kk1 h THR 65 Ca -0.04 -0.63 -0.13 0.00 0.77 0.00 0.00 66.41 66.37 2kk1 h THR 65 Cb 0.43 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 2kk1 h THR 65 CO 0.07 0.23 -0.64 1.23 0.37 0.00 0.00 175.52 176.78 2kk1 h GLY 66 N 0.76 0.00 1.97 2.16 0.00 -0.58 -3.25 103.07 104.13 2kk1 h GLY 66 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 2kk1 h GLY 66 CO -0.00 0.00 -0.02 0.84 0.00 0.00 0.00 176.54 177.36 2kk1 h HIS 67 N 0.00 0.04 0.00 5.60 6.17 0.16 -1.58 115.15 125.54 2kk1 h HIS 67 Ca -0.01 0.00 -0.11 0.00 0.71 0.00 0.00 60.37 60.97 2kk1 h HIS 67 Cb 1.22 -0.01 -0.02 0.00 2.52 0.00 0.00 27.41 31.12 2kk1 h HIS 67 CO 0.00 0.06 -0.51 -0.56 0.71 0.00 0.00 177.93 177.63 2kk1 h GLN 68 N 0.04 0.00 -0.52 5.26 3.07 -1.58 -2.99 115.11 118.39 2kk1 h GLN 68 Ca 0.01 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.76 2kk1 h GLN 68 Cb 0.06 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.59 2kk1 h GLN 68 CO 0.00 0.51 0.34 -0.07 0.09 0.00 0.00 178.83 179.70 2kk1 h LEU 69 N 0.00 0.58 -1.06 0.06 -0.00 -1.43 -0.76 115.31 112.70 2kk1 h LEU 69 Ca -0.01 -0.01 -0.08 0.00 -0.00 0.00 0.00 57.88 57.78 2kk1 h LEU 69 Cb 0.98 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.48 2kk1 h LEU 69 CO 0.07 0.42 -0.17 -0.07 -0.00 0.00 0.00 178.44 178.69 2kk1 h LEU 70 N 0.69 0.46 -0.05 1.67 -0.00 -1.58 0.24 115.31 116.74 2kk1 h LEU 70 Ca 0.19 -0.13 -0.02 0.00 -0.00 0.00 0.00 57.88 57.92 2kk1 h LEU 70 Cb -0.06 -0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 40.47 2kk1 h LEU 70 CO -0.04 0.65 -0.04 -0.78 -0.00 0.00 0.00 178.44 178.23 2kk1 h ASP 71 N 0.43 0.12 -0.50 -0.43 1.82 -1.31 -0.51 116.42 116.04 2kk1 h ASP 71 Ca 0.07 -0.47 0.03 0.00 -0.39 0.00 0.00 57.03 56.27 2kk1 h ASP 71 Cb 0.55 -0.03 -0.04 0.00 0.68 0.00 0.00 39.33 40.49 2kk1 h ASP 71 CO 0.04 0.57 0.29 1.88 -1.61 0.00 0.00 179.24 180.40 2kk1 h TYR 72 N -0.32 0.54 -0.14 0.28 -1.99 -1.07 -2.31 116.97 111.95 2kk1 h TYR 72 Ca 0.01 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 2kk1 h TYR 72 Cb 0.53 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 39.09 2kk1 h TYR 72 CO 0.09 0.30 0.00 0.00 -0.00 0.00 0.00 178.16 178.55 2kk1 h SER 74 N -0.01 0.06 0.07 0.00 0.87 -1.02 -0.89 113.55 112.64 2kk1 h SER 74 Ca 0.04 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.39 2kk1 h SER 74 Cb 0.35 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2kk1 h SER 74 CO 0.01 0.04 -1.08 1.23 -0.53 0.00 0.00 176.83 176.50 2kk1 h GLY 75 N 0.07 0.18 1.72 5.77 0.00 -1.21 -3.39 103.07 106.21 2kk1 h GLY 75 Ca 0.13 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 2kk1 h GLY 75 CO -0.01 0.40 -0.25 -1.82 0.00 0.00 0.00 176.54 174.86 2kk1 h TYR 76 N -0.57 0.36 -0.03 5.60 3.20 -0.43 -2.58 116.97 122.52 2kk1 h TYR 76 Ca -0.24 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.57 2kk1 h TYR 76 Cb 1.52 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.70 2kk1 h TYR 76 CO 0.15 0.56 0.03 -0.24 -1.64 0.00 0.00 178.16 177.02 2kk1 h VAL 77 N 0.30 0.76 0.00 1.81 3.04 -1.36 0.12 116.25 120.91 2kk1 h VAL 77 Ca 0.05 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.74 2kk1 h VAL 77 Cb 0.61 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 2kk1 h VAL 77 CO 0.04 0.00 0.00 -0.78 -1.01 0.00 0.00 177.57 175.82 2kk1 h ASP 78 N 0.00 0.00 -0.14 3.17 3.58 -1.65 -3.16 116.42 118.22 2kk1 h ASP 78 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2kk1 h ASP 78 Cb 0.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2kk1 h ASP 78 CO -0.00 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.36 2kk1 s ILE 80 N -1.30 4.76 -0.03 0.00 1.01 -1.02 -4.97 121.20 119.65 2kk1 s ILE 80 Ca 0.23 1.57 -0.26 0.00 0.00 0.00 0.00 60.65 62.19 2kk1 s ILE 80 Cb 0.15 -4.19 -0.21 0.00 0.01 0.00 0.00 42.46 38.22 2kk1 s ILE 80 CO 0.22 -0.18 1.23 -0.65 0.00 0.00 0.00 174.94 175.56 2kk1 h PRO 81 N 7.79 0.01 -6.35 2.79 0.11 -1.92 -3.43 132.00 131.00 2kk1 h PRO 81 Ca -0.22 -0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.31 2kk1 h PRO 81 Cb 1.08 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 2kk1 h PRO 81 CO 0.91 0.53 1.16 -0.65 -0.21 0.00 0.00 178.00 179.74 2kk1 s GLN 82 N -4.10 3.59 0.23 1.05 1.11 -1.26 -4.90 119.66 115.38 2kk1 s GLN 82 Ca -0.16 1.37 -0.04 0.00 0.01 0.00 0.00 55.36 56.54 2kk1 s GLN 82 Cb 0.01 -4.08 0.24 0.00 -1.01 0.00 0.00 33.01 28.17 2kk1 s GLN 82 CO 0.68 -1.55 1.69 1.15 0.01 0.00 0.00 175.29 177.27 2kk1 h THR 83 N 6.45 1.26 0.47 -0.19 2.02 -1.98 0.12 112.91 121.05 2kk1 h THR 83 Ca -0.32 -1.18 -0.02 0.00 0.77 0.00 0.00 66.41 65.66 2kk1 h THR 83 Cb 1.14 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 68.58 2kk1 h THR 83 CO 1.03 0.41 -0.27 0.03 0.37 0.00 0.00 175.52 177.09 2kk1 h ARG 84 N 0.73 -0.67 -0.89 6.66 2.47 -1.99 0.14 114.38 120.83 2kk1 h ARG 84 Ca 0.12 0.05 0.05 0.00 -1.26 0.00 0.00 59.98 58.93 2kk1 h ARG 84 Cb 0.60 0.15 -0.05 0.00 -1.65 0.00 0.00 29.97 29.02 2kk1 h ARG 84 CO 0.04 -0.45 0.58 -0.91 0.56 0.00 0.00 179.97 179.80 2kk1 h ASN 85 N -0.69 0.93 -0.74 7.04 4.21 -1.96 -0.98 115.58 123.39 2kk1 h ASN 85 Ca -0.06 -0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.42 2kk1 h ASN 85 Cb 0.56 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 37.52 2kk1 h ASN 85 CO 0.07 0.63 0.35 0.50 -1.29 0.00 0.00 177.43 177.69 2kk1 h LYS 86 N 1.08 1.08 -0.13 0.81 3.64 -0.37 0.76 116.57 123.43 2kk1 h LYS 86 Ca 0.36 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 2kk1 h LYS 86 Cb 0.08 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2kk1 h LYS 86 CO -0.12 0.85 -0.11 0.35 -2.27 0.00 0.00 179.45 178.15 2kk1 h PHE 87 N 1.05 0.36 -0.74 1.91 3.04 -0.26 0.53 116.94 122.82 2kk1 h PHE 87 Ca 0.25 -0.10 0.14 0.00 3.98 0.00 0.00 57.97 62.24 2kk1 h PHE 87 Cb 0.13 -0.08 -0.05 0.00 2.56 0.00 0.00 35.95 38.51 2kk1 h PHE 87 CO 0.01 0.69 0.49 0.00 -2.02 0.00 0.00 178.31 177.48 2kk1 h ALA 88 N 0.61 2.06 -0.01 2.41 0.00 -1.04 0.12 119.26 123.41 2kk1 h ALA 88 Ca 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kk1 h ALA 88 Cb 0.62 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2kk1 h ALA 88 CO 0.03 -0.26 -0.01 0.35 0.00 0.00 0.00 179.25 179.36 2kk1 h PHE 89 N 0.45 0.03 -0.45 0.00 3.57 -0.62 -3.04 116.94 116.88 2kk1 h PHE 89 Ca 0.36 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.81 2kk1 h PHE 89 Cb 0.77 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 2kk1 h PHE 89 CO -0.00 0.45 0.13 0.00 -2.23 0.00 0.00 178.31 176.66 2kk1 h ARG 90 N -0.41 0.70 -0.82 1.11 2.47 0.32 -0.34 114.38 117.42 2kk1 h ARG 90 Ca 0.00 -0.16 -0.00 0.00 -1.26 0.00 0.00 59.98 58.56 2kk1 h ARG 90 Cb 0.45 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.63 2kk1 h ARG 90 CO 0.00 0.69 0.49 1.05 0.56 0.00 0.00 179.97 182.76 2kk1 h GLU 91 N 0.59 1.11 -0.46 0.04 4.11 -0.94 0.12 114.58 119.15 2kk1 h GLU 91 Ca 0.14 -0.10 -0.02 0.00 0.07 0.00 0.00 59.36 59.46 2kk1 h GLU 91 Cb 0.29 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2kk1 h GLU 91 CO -0.00 0.79 0.23 0.00 0.07 0.00 0.00 179.01 180.09 2kk1 h ALA 92 N 1.27 0.60 -0.92 1.06 0.00 -1.37 -1.97 119.26 117.91 2kk1 h ALA 92 Ca 0.29 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2kk1 h ALA 92 Cb -0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 2kk1 h ALA 92 CO -0.05 0.15 0.59 0.28 0.00 0.00 0.00 179.25 180.21 2kk1 h VAL 93 N 0.60 1.07 -0.74 0.00 2.07 -0.61 -0.48 116.25 118.16 2kk1 h VAL 93 Ca 0.16 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.35 2kk1 h VAL 93 Cb 0.10 -0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 29.72 2kk1 h VAL 93 CO -0.02 0.20 0.46 -1.28 0.02 0.00 0.00 177.57 176.94 2kk1 h SER 94 N 1.08 0.74 0.30 0.57 0.87 -0.20 0.23 113.55 117.14 2kk1 h SER 94 Ca 0.40 0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.85 2kk1 h SER 94 Cb 0.15 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2kk1 h SER 94 CO -0.17 0.50 -0.46 0.11 -0.53 0.00 0.00 176.83 176.28 2kk1 h LYS 95 N 0.88 0.20 0.18 2.24 6.56 -0.84 -2.73 116.57 123.05 2kk1 h LYS 95 Ca 0.31 -0.10 -0.01 0.00 -1.06 0.00 0.00 60.65 59.79 2kk1 h LYS 95 Cb 0.08 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.74 2kk1 h LYS 95 CO -0.13 0.62 -0.09 1.25 -2.06 0.00 0.00 179.45 179.04 2kk1 h LEU 96 N 0.16 -0.20 -0.37 2.94 5.85 0.13 -0.07 115.31 123.75 2kk1 h LEU 96 Ca 0.01 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.54 2kk1 h LEU 96 Cb 0.88 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 2kk1 h LEU 96 CO 0.07 0.10 0.23 1.05 -0.34 0.00 0.00 178.44 179.55 2kk1 h GLU 97 N -0.52 0.46 -0.64 1.25 4.11 -1.05 0.07 114.58 118.25 2kk1 h GLU 97 Ca -0.02 -0.03 0.02 0.00 0.07 0.00 0.00 59.36 59.39 2kk1 h GLU 97 Cb 0.40 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 2kk1 h GLU 97 CO 0.04 0.31 0.41 -0.07 0.07 0.00 0.00 179.01 179.77 2kk1 h LEU 98 N 0.48 0.70 -1.19 3.06 3.38 -1.51 -0.93 115.31 119.29 2kk1 h LEU 98 Ca 0.14 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2kk1 h LEU 98 Cb -0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2kk1 h LEU 98 CO -0.05 0.50 -0.07 -1.28 0.09 0.00 0.00 178.44 177.63 2kk1 h SER 99 N 0.83 0.45 -0.07 -0.43 0.87 -0.49 -1.38 113.55 113.32 2kk1 h SER 99 Ca 0.25 -0.10 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 2kk1 h SER 99 Cb -0.05 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 2kk1 h SER 99 CO -0.07 0.57 -0.21 -0.07 -0.53 0.00 0.00 176.83 176.52 2kk1 h LEU 100 N 0.45 0.31 -1.23 2.23 3.38 -0.58 -1.14 115.31 118.73 2kk1 h LEU 100 Ca 0.09 -0.60 -0.07 0.00 0.09 0.00 0.00 57.88 57.39 2kk1 h LEU 100 Cb 0.40 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2kk1 h LEU 100 CO 0.02 0.85 -0.24 0.06 0.09 0.00 0.00 178.44 179.22 2kk1 h GLN 101 N -0.22 0.22 0.10 1.13 3.07 -1.04 -2.44 115.11 115.93 2kk1 h GLN 101 Ca -0.00 -0.07 -0.26 0.00 0.09 0.00 0.00 58.65 58.40 2kk1 h GLN 101 Cb 0.82 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.36 2kk1 h GLN 101 CO 0.04 0.46 -1.18 1.05 0.09 0.00 0.00 178.83 179.30 2kk1 h GLU 102 N 0.20 0.29 -0.31 0.06 4.11 -1.32 -3.31 114.58 114.31 2kk1 h GLU 102 Ca 0.03 -0.45 -0.00 0.00 0.07 0.00 0.00 59.36 59.01 2kk1 h GLU 102 Cb 0.54 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2kk1 h GLU 102 CO 0.04 1.19 0.19 1.25 0.07 0.00 0.00 179.01 181.75 2kk1 h LEU 103 N 0.10 0.37 -1.90 3.06 5.85 -0.90 0.35 115.31 122.25 2kk1 h LEU 103 Ca -0.12 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 2kk1 h LEU 103 Cb 1.88 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.82 2kk1 h LEU 103 CO 0.19 0.31 -0.12 0.06 -0.34 0.00 0.00 178.44 178.55 2kk1 h GLN 104 N 0.40 0.00 0.00 1.25 3.07 -1.58 0.23 115.11 118.48 2kk1 h GLN 104 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.85 2kk1 h GLN 104 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.57 2kk1 h GLN 104 CO -0.02 0.12 -1.44 1.33 0.09 0.00 0.00 178.83 178.91 2kk1 n VAL 105 N -4.03 0.27 -0.83 1.86 0.24 -1.03 -4.21 118.33 110.60 2kk1 n VAL 105 Ca -0.02 -0.47 0.08 0.00 -2.04 0.00 0.00 64.34 61.89 2kk1 n VAL 105 Cb 0.20 -0.07 0.27 0.00 -1.47 0.00 0.00 33.84 32.77 2kk1 n VAL 105 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2kk1 n SER 106 N -2.36 4.06 0.02 -1.34 2.88 0.12 -4.77 113.62 112.23 2kk1 n SER 106 Ca -0.01 -2.80 -0.13 0.00 -1.33 0.00 0.00 58.87 54.59 2kk1 n SER 106 Cb 0.54 -0.52 -0.09 0.00 -0.75 0.00 0.00 64.21 63.39 2kk1 n SER 106 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2kk1 h SER 107 N 2.32 -1.47 -1.50 -3.46 4.64 -0.75 -3.46 113.55 109.87 2kk1 h SER 107 Ca 0.00 0.17 -0.37 0.00 -0.47 0.00 0.00 61.79 61.12 2kk1 h SER 107 Cb 1.41 0.57 -0.13 0.00 -0.31 0.00 0.00 62.40 63.94 2kk1 h SER 107 CO 0.23 -0.43 -0.36 0.00 -0.87 0.00 0.00 176.83 175.39 2kk1 n ALA 108 N -2.93 -0.35 -3.56 5.18 0.00 -1.26 -4.81 120.51 112.79 2kk1 n ALA 108 Ca -0.06 0.27 -0.13 0.00 0.00 0.00 0.00 53.44 53.52 2kk1 n ALA 108 Cb 0.33 -1.86 -0.06 0.00 0.00 0.00 0.00 19.45 17.87 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 -2.61 -1.87 -0.33 0.00 0.00 -1.26 -5.03 121.76 110.65 2kk1 s ALA 109 Ca 0.00 1.51 -0.01 0.00 0.00 0.00 0.00 51.96 53.46 2kk1 s ALA 109 Cb 0.00 -0.48 0.24 0.00 0.00 0.00 0.00 23.12 22.88 2kk1 s ALA 109 CO 0.00 -0.33 1.98 0.00 0.00 0.00 0.00 175.76 177.41 2kk1 n ALA 110 N 0.89 5.11 0.00 0.00 0.00 -1.26 -4.62 120.51 120.63 2kk1 n ALA 110 Ca -0.14 -1.75 0.00 0.00 0.00 0.00 0.00 53.44 51.55 2kk1 n ALA 110 Cb 0.57 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 0.22 1.15 3.64 0.00 0.00 -1.26 -4.77 105.19 104.17 2kk1 n GLY 111 Ca 0.32 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.00 5.34 0.28 1.61 1.01 -1.26 -3.88 120.40 121.50 2kk1 s VAL 112 Ca 0.00 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 2kk1 s VAL 112 Cb 0.00 -3.52 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 2kk1 s VAL 112 CO 0.00 0.32 1.05 -2.16 0.00 0.00 0.00 175.10 174.31 2kk1 s PRO 113 N 1.24 4.66 0.00 2.72 0.04 -1.26 -3.64 135.00 138.76 2kk1 s PRO 113 Ca 0.08 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.82 2kk1 s PRO 113 Cb -0.14 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2kk1 s PRO 113 CO 0.06 0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.78 2kk1 n GLY 114 N 1.20 1.94 0.33 0.56 0.00 -1.26 -4.91 105.19 103.05 2kk1 n GLY 114 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 1.15 -4.07 2.61 1.03 -1.95 -3.42 112.91 108.25 2kk1 h THR 115 Ca 0.00 -0.38 -0.51 0.00 -0.01 0.00 0.00 66.41 65.51 2kk1 h THR 115 Cb 0.00 -0.05 -0.30 0.00 -1.07 0.00 0.00 68.15 66.73 2kk1 h THR 115 CO 0.00 0.20 -0.82 0.20 -0.01 0.00 0.00 175.52 175.09 2kk1 s ASN 116 N -5.91 1.80 0.61 0.00 0.01 -1.26 -5.03 114.94 105.17 2kk1 s ASN 116 Ca -0.13 -0.28 0.34 0.00 -0.71 0.00 0.00 52.86 52.08 2kk1 s ASN 116 Cb 0.17 -0.34 2.00 0.00 0.41 0.00 0.00 41.25 43.49 2kk1 s ASN 116 CO 0.80 0.16 2.29 1.55 -1.51 0.00 0.00 177.10 180.38 2kk1 h PRO 117 N 6.02 0.00 -0.81 -0.60 0.13 -1.98 -2.53 132.00 132.22 2kk1 h PRO 117 Ca -0.34 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 65.01 2kk1 h PRO 117 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 2kk1 h PRO 117 CO 0.48 0.00 0.57 0.28 -0.23 0.00 0.00 178.00 179.10 2kk1 h VAL 118 N 0.00 0.63 -0.65 1.56 2.07 -1.96 0.22 116.25 118.13 2kk1 h VAL 118 Ca -0.00 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2kk1 h VAL 118 Cb 0.01 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 2kk1 h VAL 118 CO 0.00 0.02 0.37 -0.07 0.02 0.00 0.00 177.57 177.91 2kk1 h LEU 119 N 0.12 0.80 -0.52 2.57 3.38 -1.84 -0.46 115.31 119.36 2kk1 h LEU 119 Ca 0.40 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 58.13 2kk1 h LEU 119 Cb 1.38 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2kk1 h LEU 119 CO -0.05 0.65 -0.46 -1.13 0.09 0.00 0.00 178.44 177.54 2kk1 h ASN 120 N 0.88 0.73 -0.44 -0.43 -1.24 -0.82 -2.35 115.58 111.92 2kk1 h ASN 120 Ca 0.23 -0.36 0.04 0.00 0.71 0.00 0.00 56.30 56.93 2kk1 h ASN 120 Cb 0.02 -0.21 -0.04 0.00 0.73 0.00 0.00 38.32 38.82 2kk1 h ASN 120 CO -0.04 1.08 0.20 0.78 -1.29 0.00 0.00 177.43 178.16 2kk1 h ASN 121 N 0.54 0.26 0.01 1.15 4.21 -0.80 -0.07 115.58 120.89 2kk1 h ASN 121 Ca 0.03 0.03 0.01 0.00 1.21 0.00 0.00 56.30 57.59 2kk1 h ASN 121 Cb 1.01 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 38.18 2kk1 h ASN 121 CO 0.09 0.19 -0.07 -0.07 -1.29 0.00 0.00 177.43 176.29 2kk1 h LEU 122 N 0.40 -0.19 -0.17 1.61 3.38 -1.02 -0.53 115.31 118.79 2kk1 h LEU 122 Ca 0.20 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.25 2kk1 h LEU 122 Cb 0.14 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 2kk1 h LEU 122 CO -0.16 -0.10 -0.26 0.25 0.09 0.00 0.00 178.44 178.25 2kk1 h LEU 123 N -0.13 -0.82 -0.18 1.67 5.85 -1.00 0.15 115.31 120.85 2kk1 h LEU 123 Ca 0.02 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2kk1 h LEU 123 Cb 0.15 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2kk1 h LEU 123 CO -0.06 -0.30 0.12 -1.28 -0.34 0.00 0.00 178.44 176.57 2kk1 h SER 124 N -0.31 0.21 -0.07 1.25 0.87 -0.95 -1.91 113.55 112.64 2kk1 h SER 124 Ca 0.11 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2kk1 h SER 124 Cb 0.48 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2kk1 h SER 124 CO -0.35 0.18 0.03 0.00 -0.53 0.00 0.00 176.83 176.17 2kk1 h VAL 126 N -0.01 0.90 -0.02 0.00 2.07 -0.67 -0.19 116.25 118.33 2kk1 h VAL 126 Ca 0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 2kk1 h VAL 126 Cb 0.13 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2kk1 h VAL 126 CO -0.00 0.00 -0.02 1.56 0.02 0.00 0.00 177.57 179.13 2kk1 h GLN 127 N -0.12 0.03 -0.05 1.57 4.20 -1.35 -1.27 115.11 118.12 2kk1 h GLN 127 Ca -0.01 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 2kk1 h GLN 127 Cb 0.10 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 2kk1 h GLN 127 CO 0.01 0.06 -0.07 1.49 -0.67 0.00 0.00 178.83 179.64 2kk1 h GLU 128 N 0.03 0.13 -0.02 1.46 4.57 -0.90 -2.35 114.58 117.51 2kk1 h GLU 128 Ca 0.01 -0.08 0.03 0.00 -1.18 0.00 0.00 59.36 58.14 2kk1 h GLU 128 Cb 0.06 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 2kk1 h GLU 128 CO 0.00 0.64 -0.23 0.82 -1.18 0.00 0.00 179.01 179.07 2kk1 h ILE 129 N -0.36 0.47 -0.69 2.32 2.04 -0.38 0.67 117.51 121.58 2kk1 h ILE 129 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 2kk1 h ILE 129 Cb 0.63 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 2kk1 h ILE 129 CO 0.02 0.00 0.41 0.77 0.00 0.00 0.00 178.15 179.35 2kk1 h SER 130 N -0.35 0.64 -0.71 1.72 4.64 -1.36 -1.36 113.55 116.77 2kk1 h SER 130 Ca 0.07 0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.44 2kk1 h SER 130 Cb 0.44 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 62.36 2kk1 h SER 130 CO -0.22 0.43 0.43 -0.78 -0.87 0.00 0.00 176.83 175.83 2kk1 h ASP 131 N 0.78 0.69 -0.80 4.97 3.58 -0.89 0.02 116.42 124.77 2kk1 h ASP 131 Ca 0.29 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.77 2kk1 h ASP 131 Cb 0.11 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 40.98 2kk1 h ASP 131 CO -0.15 0.47 0.52 0.58 -2.88 0.00 0.00 179.24 177.79 2kk1 h VAL 132 N 0.83 1.17 0.00 2.25 2.07 -0.13 -1.01 116.25 121.43 2kk1 h VAL 132 Ca 0.30 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 2kk1 h VAL 132 Cb 0.08 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 2kk1 h VAL 132 CO -0.14 0.19 -0.12 0.58 0.02 0.00 0.00 177.57 178.10 2kk1 h VAL 133 N 1.05 0.60 -0.25 2.57 2.07 -0.39 -2.02 116.25 119.87 2kk1 h VAL 133 Ca 0.31 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2kk1 h VAL 133 Cb -0.07 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2kk1 h VAL 133 CO -0.09 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.62 2kk1 n GLN 134 N -3.68 1.71 0.00 1.57 6.02 -0.09 -5.06 117.38 117.85 2kk1 n GLN 134 Ca -0.02 -0.96 0.10 0.00 -0.01 0.00 0.00 57.00 56.11 2kk1 n GLN 134 Cb 0.24 -1.28 0.08 0.00 1.02 0.00 0.00 30.24 30.30 2kk1 n GLN 134 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59