#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kay h GLU 36 N 0.00 0.45 0.01 4.33 4.11 -1.99 0.18 114.58 121.67 3kay h GLU 36 Ca 0.00 -0.16 -0.20 0.00 0.07 0.00 0.00 59.36 59.06 3kay h GLU 36 Cb 0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3kay h GLU 36 CO 0.00 0.66 -0.95 0.74 0.07 0.00 0.00 179.01 179.53 3kay h PHE 37 N 0.40 0.06 -0.45 2.06 -1.00 -1.99 -2.46 116.94 113.56 3kay h PHE 37 Ca 0.06 -0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.76 3kay h PHE 37 Cb 0.64 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.18 3kay h PHE 37 CO 0.02 0.96 0.11 1.15 -1.61 0.00 0.00 178.31 178.95 3kay h THR 38 N 0.01 1.23 -0.79 -1.55 2.02 -1.95 -1.17 112.91 110.72 3kay h THR 38 Ca -0.02 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 3kay h THR 38 Cb 1.66 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 68.94 3kay h THR 38 CO 0.13 0.28 0.43 -0.61 0.37 0.00 0.00 175.52 176.12 3kay h GLN 39 N 0.59 1.10 -0.13 6.66 -0.00 -0.63 -0.35 115.11 122.34 3kay h GLN 39 Ca 0.14 -0.13 -0.07 0.00 -0.00 0.00 0.00 58.65 58.60 3kay h GLN 39 Cb 0.31 -0.22 -0.00 0.00 0.00 0.00 0.00 27.48 27.57 3kay h GLN 39 CO 0.00 0.81 -0.19 1.25 0.00 0.00 0.00 178.83 180.70 3kay h LEU 40 N 1.10 0.40 -0.55 -2.39 6.46 -1.36 -2.12 115.31 116.85 3kay h LEU 40 Ca 0.28 -0.52 -0.05 0.00 -0.12 0.00 0.00 57.88 57.47 3kay h LEU 40 Cb 0.03 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 39.83 3kay h LEU 40 CO -0.04 0.84 0.13 0.28 -0.62 0.00 0.00 178.44 179.02 3kay h SER 41 N -0.03 0.83 -0.55 1.25 0.02 -0.89 -1.08 113.55 113.11 3kay h SER 41 Ca 0.01 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.68 3kay h SER 41 Cb 0.74 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 3kay h SER 41 CO 0.04 0.85 0.18 1.56 -1.14 0.00 0.00 176.83 178.32 3kay h GLN 42 N 0.78 0.90 -0.74 3.45 4.20 -1.12 -1.45 115.11 121.13 3kay h GLN 42 Ca 0.17 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.72 3kay h GLN 42 Cb 0.35 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.95 3kay h GLN 42 CO 0.00 0.78 0.48 0.77 -0.67 0.00 0.00 178.83 180.20 3kay h SER 43 N 0.87 0.83 0.71 1.46 0.02 -0.66 -0.73 113.55 116.05 3kay h SER 43 Ca 0.20 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 3kay h SER 43 Cb 0.27 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3kay h SER 43 CO -0.01 0.59 -0.37 0.40 -1.14 0.00 0.00 176.83 176.30 3kay h ILE 44 N 0.98 0.24 -0.90 3.27 2.04 -0.78 0.11 117.51 122.48 3kay h ILE 44 Ca 0.28 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.35 3kay h ILE 44 Cb -0.08 0.24 -0.12 0.00 -0.74 0.00 0.00 36.82 36.12 3kay h ILE 44 CO -0.07 0.00 0.41 0.00 0.00 0.00 0.00 178.15 178.49 3kay h ALA 45 N -0.73 1.45 0.15 1.87 0.00 -1.01 0.26 119.26 121.24 3kay h ALA 45 Ca -0.10 0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.68 3kay h ALA 45 Cb 0.78 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.71 3kay h ALA 45 CO 0.14 -0.32 -1.27 1.49 0.00 0.00 0.00 179.25 179.29 3kay h GLU 46 N 0.43 0.37 0.00 0.00 4.81 -0.78 -3.41 114.58 116.00 3kay h GLU 46 Ca 0.56 -0.59 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3kay h GLU 46 Cb 1.04 0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3kay h GLU 46 CO -0.51 1.27 -0.90 1.19 -0.73 0.00 0.00 179.01 179.34 3kay n PHE 47 N -3.61 0.00 -0.95 0.92 3.01 0.35 -4.80 117.46 112.39 3kay n PHE 47 Ca -0.11 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.44 3kay n PHE 47 Cb 1.03 0.00 0.29 0.00 -0.01 0.00 0.00 39.48 40.78 3kay n PHE 47 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3kay n HIS 48 N -1.66 1.17 -5.13 1.38 8.25 0.86 -4.86 115.22 115.23 3kay n HIS 48 Ca 0.00 -0.83 -0.32 0.00 -0.26 0.00 0.00 57.72 56.31 3kay n HIS 48 Cb 0.28 -0.35 -0.16 0.00 1.12 0.00 0.00 29.99 30.89 3kay n HIS 48 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3kay s THR 49 N -2.75 2.33 0.26 1.59 2.01 -1.10 -4.93 115.64 113.05 3kay s THR 49 Ca 0.44 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.52 3kay s THR 49 Cb 0.35 -1.89 -0.05 0.00 0.01 0.00 0.00 72.50 70.92 3kay s THR 49 CO 0.11 0.56 0.04 -0.31 -0.69 0.00 0.00 174.62 174.33 3kay s TYR 50 N -0.03 1.67 -0.85 4.92 1.51 -1.26 -5.01 117.35 118.30 3kay s TYR 50 Ca -0.07 -1.00 0.01 0.00 -1.01 0.00 0.00 57.07 55.00 3kay s TYR 50 Cb -0.15 -1.01 0.24 0.00 -0.11 0.00 0.00 41.96 40.94 3kay s TYR 50 CO 0.05 -0.10 0.89 1.04 -1.11 0.00 0.00 175.55 176.32 3kay n GLN 51 N -0.50 2.91 -0.03 -0.62 6.02 -1.26 -5.08 117.38 118.82 3kay n GLN 51 Ca -0.03 -4.55 -0.01 0.00 -0.01 0.00 0.00 57.00 52.40 3kay n GLN 51 Cb 0.65 -2.38 0.01 0.00 1.02 0.00 0.00 30.24 29.54 3kay n GLN 51 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3kay n LEU 52 N 1.68 0.00 0.00 1.08 4.32 -1.26 -5.05 117.00 117.77 3kay n LEU 52 Ca 0.25 -0.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 3kay n LEU 52 Cb 0.37 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.12 3kay n LEU 52 CO 0.44 -1.37 0.00 0.61 -1.22 0.00 0.00 177.39 175.85 3kay n GLY 53 N -0.14 -0.11 3.75 -0.72 0.00 -1.26 -5.07 105.19 101.64 3kay n GLY 53 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3kay n GLY 53 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kay s ASN 54 N -3.40 6.63 -0.02 1.61 0.02 -1.26 -2.42 114.94 116.10 3kay s ASN 54 Ca 0.00 2.73 0.00 0.00 -1.02 0.00 0.00 52.86 54.57 3kay s ASN 54 Cb 0.00 -2.63 0.00 0.00 0.02 0.00 0.00 41.25 38.64 3kay s ASN 54 CO 0.00 -0.69 0.00 0.61 0.02 0.00 0.00 177.10 177.04 3kay n GLY 55 N 1.69 0.47 3.32 0.66 0.00 -1.26 -5.01 105.19 105.06 3kay n GLY 55 Ca 0.05 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 3kay n GLY 55 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kay s ARG 56 N -0.48 0.78 0.10 1.61 6.06 -1.02 -1.27 118.95 124.73 3kay s ARG 56 Ca 0.00 -0.04 -0.22 0.00 -2.50 0.00 0.00 55.73 52.96 3kay s ARG 56 Cb 0.00 0.36 0.06 0.00 0.06 0.00 0.00 34.95 35.42 3kay s ARG 56 CO 0.00 -0.22 0.55 0.00 -2.50 0.00 0.00 175.30 173.12 3kay s SER 58 N -2.38 -0.04 -0.05 0.00 1.04 -1.26 -1.31 113.70 109.70 3kay s SER 58 Ca -0.02 -1.02 -0.29 0.00 0.48 0.00 0.00 55.95 55.10 3kay s SER 58 Cb -0.00 0.55 0.11 0.00 0.10 0.00 0.00 66.02 66.77 3kay s SER 58 CO -0.07 -1.09 0.89 -0.55 0.98 0.00 0.00 173.24 173.40 3kay s SER 59 N -3.05 -0.39 -0.04 7.02 0.15 -1.11 -5.02 113.70 111.26 3kay s SER 59 Ca 0.26 0.16 0.03 0.00 0.70 0.00 0.00 55.95 57.09 3kay s SER 59 Cb 0.01 0.38 0.01 0.00 -1.71 0.00 0.00 66.02 64.70 3kay s SER 59 CO 0.10 -0.55 -0.12 -0.22 1.20 0.00 0.00 173.24 173.65 3kay s LEU 60 N -2.02 1.75 0.13 3.45 0.20 -1.26 -2.46 118.68 118.47 3kay s LEU 60 Ca 0.02 -0.25 0.05 0.00 0.69 0.00 0.00 54.13 54.64 3kay s LEU 60 Cb -0.01 -0.72 -0.04 0.00 -0.43 0.00 0.00 46.19 44.99 3kay s LEU 60 CO -0.05 0.07 -0.12 -0.76 -0.29 0.00 0.00 176.35 175.21 3kay s LEU 61 N 0.32 2.46 0.07 -0.68 1.02 0.35 -5.00 118.68 117.22 3kay s LEU 61 Ca -0.07 -0.90 0.03 0.00 0.02 0.00 0.00 54.13 53.21 3kay s LEU 61 Cb -0.12 -0.43 -0.03 0.00 0.02 0.00 0.00 46.19 45.64 3kay s LEU 61 CO 0.02 -0.24 -0.10 0.00 0.02 0.00 0.00 176.35 176.05 3kay s ALA 62 N -2.71 0.94 -0.13 4.21 0.00 -1.26 -1.08 121.76 121.72 3kay s ALA 62 Ca 0.12 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.02 3kay s ALA 62 Cb -0.01 0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.19 3kay s ALA 62 CO 0.02 -0.01 0.21 -1.14 0.00 0.00 0.00 175.76 174.84 3kay s GLN 63 N -2.26 0.12 0.02 0.00 2.00 -0.34 -4.99 119.66 114.21 3kay s GLN 63 Ca -0.01 0.51 -0.29 0.00 -2.00 0.00 0.00 55.36 53.58 3kay s GLN 63 Cb -0.06 -0.49 -0.04 0.00 0.80 0.00 0.00 33.01 33.23 3kay s GLN 63 CO 0.00 -0.41 0.92 -0.98 -0.50 0.00 0.00 175.29 174.33 3kay s ARG 64 N 2.34 4.57 -0.15 1.67 1.70 -1.26 -1.34 118.95 126.48 3kay s ARG 64 Ca 0.04 1.33 -0.00 0.00 -0.47 0.00 0.00 55.73 56.62 3kay s ARG 64 Cb -0.13 -3.43 0.03 0.00 -0.57 0.00 0.00 34.95 30.85 3kay s ARG 64 CO -0.08 0.05 -0.08 0.42 -1.08 0.00 0.00 175.30 174.52 3kay s ILE 65 N 0.68 1.21 -1.21 4.99 1.01 0.24 -4.97 121.20 123.16 3kay s ILE 65 Ca 0.48 -0.56 -0.20 0.00 0.00 0.00 0.00 60.65 60.37 3kay s ILE 65 Cb -0.21 -1.28 0.01 0.00 0.01 0.00 0.00 42.46 40.99 3kay s ILE 65 CO 0.27 0.27 1.77 -1.00 0.00 0.00 0.00 174.94 176.24 3kay s HIS 66 N 1.61 2.45 0.02 3.97 3.76 -1.26 -0.93 115.29 124.91 3kay s HIS 66 Ca 0.03 -0.78 -0.28 0.00 -0.15 0.00 0.00 55.06 53.87 3kay s HIS 66 Cb -0.14 -4.49 0.10 0.00 1.11 0.00 0.00 32.58 29.16 3kay s HIS 66 CO -0.08 -1.65 0.98 0.00 -0.85 0.00 0.00 174.74 173.14 3kay s ALA 67 N 6.65 -1.84 0.34 -1.40 0.00 -1.15 -4.71 121.76 119.64 3kay s ALA 67 Ca 0.58 0.78 -0.28 0.00 0.00 0.00 0.00 51.96 53.04 3kay s ALA 67 Cb 0.01 0.42 -0.09 0.00 0.00 0.00 0.00 23.12 23.46 3kay s ALA 67 CO 0.07 -0.82 1.16 -1.25 0.00 0.00 0.00 175.76 174.92 3kay s PRO 68 N -3.03 4.36 0.55 0.00 0.04 -1.25 -3.13 135.00 132.54 3kay s PRO 68 Ca 0.09 1.89 0.27 0.00 0.04 0.00 0.00 61.00 63.28 3kay s PRO 68 Cb -0.01 -2.96 1.59 0.00 0.04 0.00 0.00 34.50 33.17 3kay s PRO 68 CO -0.05 -0.07 2.16 -1.00 0.04 0.00 0.00 177.00 178.08 3kay h PRO 69 N 3.26 0.00 -0.79 0.56 0.13 -1.89 -1.20 132.00 132.07 3kay h PRO 69 Ca -0.48 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.72 3kay h PRO 69 Cb 1.22 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 3kay h PRO 69 CO 0.65 0.06 0.47 0.93 -0.23 0.00 0.00 178.00 179.88 3kay h GLU 70 N 0.00 0.82 -0.03 0.86 3.07 -1.99 0.15 114.58 117.47 3kay h GLU 70 Ca -0.00 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.75 3kay h GLU 70 Cb 0.16 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 3kay h GLU 70 CO 0.01 0.54 -0.21 1.15 -1.40 0.00 0.00 179.01 179.10 3kay h THR 71 N 0.85 1.48 -0.39 1.13 2.02 -1.61 -2.89 112.91 113.50 3kay h THR 71 Ca 0.35 -1.73 0.03 0.00 0.77 0.00 0.00 66.41 65.84 3kay h THR 71 Cb 0.21 2.51 -0.03 0.00 -1.74 0.00 0.00 68.15 69.09 3kay h THR 71 CO -0.19 0.48 0.19 0.58 0.37 0.00 0.00 175.52 176.95 3kay h VAL 72 N -0.38 0.96 -0.06 3.16 2.07 -1.37 -2.73 116.25 117.90 3kay h VAL 72 Ca -0.02 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3kay h VAL 72 Cb 0.89 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3kay h VAL 72 CO 0.04 0.07 -0.03 -0.25 0.02 0.00 0.00 177.57 177.42 3kay h TRP 73 N 0.38 0.07 0.00 1.57 2.91 -0.71 -0.68 115.95 119.50 3kay h TRP 73 Ca 0.17 -0.00 -0.08 0.00 1.13 0.00 0.00 58.89 60.11 3kay h TRP 73 Cb 0.09 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.70 3kay h TRP 73 CO -0.11 0.12 -0.36 0.66 -1.03 0.00 0.00 178.44 177.72 3kay h SER 74 N 0.08 0.00 0.07 2.65 4.64 -1.26 -1.12 113.55 118.61 3kay h SER 74 Ca 0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3kay h SER 74 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3kay h SER 74 CO 0.01 0.36 -0.04 0.58 -0.87 0.00 0.00 176.83 176.87 3kay h VAL 75 N 0.00 0.82 -0.78 0.95 2.07 -1.16 -3.37 116.25 114.78 3kay h VAL 75 Ca -0.00 -1.43 0.11 0.00 0.82 0.00 0.00 66.70 66.20 3kay h VAL 75 Cb 0.97 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 3kay h VAL 75 CO 0.05 0.26 0.51 0.58 0.02 0.00 0.00 177.57 178.98 3kay h VAL 76 N -0.96 0.90 0.00 2.57 2.07 -1.10 -2.41 116.25 117.32 3kay h VAL 76 Ca -0.01 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3kay h VAL 76 Cb 0.50 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3kay h VAL 76 CO 0.02 0.11 0.00 0.08 0.02 0.00 0.00 177.57 177.80 3kay h ARG 77 N 0.63 0.00 -5.43 1.57 0.11 -1.38 -3.40 114.38 106.47 3kay h ARG 77 Ca 0.37 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 60.09 3kay h ARG 77 Cb 0.57 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.62 3kay h ARG 77 CO -0.14 0.00 1.16 0.54 0.10 0.00 0.00 179.97 181.63 3kay n ARG 78 N -2.69 1.64 0.26 0.08 5.12 -0.91 -4.77 116.66 115.40 3kay n ARG 78 Ca 0.03 -2.47 0.08 0.00 -1.93 0.00 0.00 57.85 53.56 3kay n ARG 78 Cb 0.36 -3.69 0.65 0.00 -1.16 0.00 0.00 32.46 28.62 3kay n ARG 78 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 3kay h PHE 79 N 9.55 0.00 -0.00 -1.55 3.57 -1.88 -1.95 116.94 124.68 3kay h PHE 79 Ca 0.23 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3kay h PHE 79 Cb 0.92 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.66 3kay h PHE 79 CO 1.22 0.00 -0.02 -0.40 -2.23 0.00 0.00 178.31 176.88 3kay n ASP 80 N -4.50 0.07 -3.03 0.41 5.75 -1.26 -4.37 116.55 109.63 3kay n ASP 80 Ca -0.03 -0.28 -0.18 0.00 -0.01 0.00 0.00 54.79 54.29 3kay n ASP 80 Cb 0.09 -0.23 -0.02 0.00 -1.03 0.00 0.00 41.12 39.93 3kay n ASP 80 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 3kay n ARG 81 N -1.21 0.74 0.13 0.11 1.85 -0.73 -4.88 116.66 112.66 3kay n ARG 81 Ca 0.15 -2.67 0.01 0.00 -1.00 0.00 0.00 57.85 54.34 3kay n ARG 81 Cb 0.24 -1.31 0.32 0.00 -1.05 0.00 0.00 32.46 30.66 3kay n ARG 81 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 3kay h PRO 82 N 3.98 0.16 -1.08 2.89 0.13 -1.76 -2.98 132.00 133.34 3kay h PRO 82 Ca -0.01 -0.06 0.31 0.00 -0.87 0.00 0.00 66.00 65.37 3kay h PRO 82 Cb 0.94 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.01 3kay h PRO 82 CO 0.41 0.45 1.03 0.00 -0.23 0.00 0.00 178.00 179.67 3kay n GLN 83 N -4.13 0.01 -0.24 0.86 10.64 -1.26 -0.43 117.38 122.82 3kay n GLN 83 Ca -0.01 0.83 -0.05 0.00 -1.83 0.00 0.00 57.00 55.94 3kay n GLN 83 Cb 0.38 -2.02 0.05 0.00 -0.86 0.00 0.00 30.24 27.80 3kay n GLN 83 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 3kay h ILE 84 N 0.00 1.18 0.00 -0.39 2.04 -1.93 -3.35 117.51 115.05 3kay h ILE 84 Ca 0.51 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 66.04 3kay h ILE 84 Cb 2.57 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 3kay h ILE 84 CO -0.01 0.17 0.00 0.00 0.00 0.00 0.00 178.15 178.32 3kay n TYR 85 N -4.60 0.00 -3.56 1.37 0.18 -0.88 -4.96 117.16 104.70 3kay n TYR 85 Ca 0.06 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.51 3kay n TYR 85 Cb 0.02 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 38.93 3kay n TYR 85 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3kay s LYS 86 N -0.53 3.73 0.21 -3.48 1.02 0.43 -4.32 119.74 116.80 3kay s LYS 86 Ca 0.00 0.12 0.02 0.00 0.02 0.00 0.00 55.97 56.13 3kay s LYS 86 Cb 0.00 -2.87 -0.04 0.00 -0.52 0.00 0.00 37.83 34.40 3kay s LYS 86 CO 0.00 0.48 0.36 -1.01 -0.92 0.00 0.00 175.35 174.26 3kay s HIS 87 N -1.57 3.48 -0.40 3.18 3.76 -1.26 -4.50 115.29 117.97 3kay s HIS 87 Ca 0.39 0.17 0.00 0.00 -0.15 0.00 0.00 55.06 55.47 3kay s HIS 87 Cb -0.13 -1.72 0.00 0.00 1.11 0.00 0.00 32.58 31.84 3kay s HIS 87 CO 0.21 0.41 0.00 1.19 -0.85 0.00 0.00 174.74 175.70 3kay n PHE 88 N -0.95 -0.04 -3.86 1.40 3.01 -1.26 -4.99 117.46 110.77 3kay n PHE 88 Ca -0.07 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.04 3kay n PHE 88 Cb 0.55 -1.18 -0.13 0.00 -0.01 0.00 0.00 39.48 38.71 3kay n PHE 88 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3kay s ILE 89 N -2.16 3.87 0.06 4.37 1.01 -1.26 0.97 121.20 128.05 3kay s ILE 89 Ca 0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 60.65 60.24 3kay s ILE 89 Cb 0.00 -2.78 -0.31 0.00 0.01 0.00 0.00 42.46 39.37 3kay s ILE 89 CO 0.00 0.39 1.09 0.50 0.00 0.00 0.00 174.94 176.91 3kay h LYS 90 N 8.09 0.38 -2.01 2.79 3.64 -1.28 -3.47 116.57 124.73 3kay h LYS 90 Ca -0.39 -0.65 0.15 0.00 -1.27 0.00 0.00 60.65 58.48 3kay h LYS 90 Cb 1.17 0.24 -0.17 0.00 -0.41 0.00 0.00 32.23 33.07 3kay h LYS 90 CO 0.59 1.31 0.59 -1.54 -2.27 0.00 0.00 179.45 178.14 3kay s SER 91 N -7.33 -0.30 -0.05 4.20 1.04 -1.23 -5.01 113.70 105.02 3kay s SER 91 Ca -0.06 0.02 -0.02 0.00 0.48 0.00 0.00 55.95 56.37 3kay s SER 91 Cb 0.06 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.52 3kay s SER 91 CO 0.91 -0.49 0.03 0.00 0.98 0.00 0.00 173.24 174.67 3kay s ASN 93 N 1.99 4.51 0.50 0.00 0.01 -0.37 -4.97 114.94 116.61 3kay s ASN 93 Ca 0.04 -0.12 0.04 0.00 -0.71 0.00 0.00 52.86 52.11 3kay s ASN 93 Cb -0.12 -1.35 0.00 0.00 0.41 0.00 0.00 41.25 40.19 3kay s ASN 93 CO -0.04 0.28 0.23 0.68 -1.51 0.00 0.00 177.10 176.74 3kay s VAL 94 N -0.33 1.64 0.75 1.60 -7.23 -1.26 -1.27 120.40 114.30 3kay s VAL 94 Ca 0.04 -1.70 -0.14 0.00 -1.81 0.00 0.00 61.98 58.37 3kay s VAL 94 Cb -0.13 -2.34 0.05 0.00 0.56 0.00 0.00 36.38 34.53 3kay s VAL 94 CO 0.02 0.00 1.20 -0.55 -0.31 0.00 0.00 175.10 175.46 3kay s SER 95 N -4.07 4.06 0.44 4.85 0.15 -1.26 -4.93 113.70 112.94 3kay s SER 95 Ca 0.26 2.32 0.15 0.00 0.70 0.00 0.00 55.95 59.39 3kay s SER 95 Cb 0.00 -2.58 0.98 0.00 -1.71 0.00 0.00 66.02 62.70 3kay s SER 95 CO 0.16 -2.35 1.96 -0.08 1.20 0.00 0.00 173.24 174.13 3kay h GLU 96 N -0.49 0.00 -2.25 5.44 4.22 -2.03 -3.02 114.58 116.45 3kay h GLU 96 Ca -0.47 0.00 -0.69 0.00 0.08 0.00 0.00 59.36 58.28 3kay h GLU 96 Cb 1.29 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.19 3kay h GLU 96 CO 0.49 0.22 0.16 -0.40 -2.18 0.00 0.00 179.01 177.30 3kay n ASP 97 N -4.22 5.88 -4.68 1.04 5.68 -1.26 -5.05 116.55 113.94 3kay n ASP 97 Ca -0.02 -3.69 -0.42 0.00 -0.50 0.00 0.00 54.79 50.15 3kay n ASP 97 Cb 0.28 -0.85 -0.03 0.00 -1.14 0.00 0.00 41.12 39.38 3kay n ASP 97 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 3kay s PHE 98 N -3.89 2.26 0.32 2.11 5.36 -1.14 -4.98 117.98 118.01 3kay s PHE 98 Ca 0.44 0.25 -0.06 0.00 -0.96 0.00 0.00 56.93 56.60 3kay s PHE 98 Cb 0.24 -3.97 -0.05 0.00 -0.34 0.00 0.00 43.02 38.90 3kay s PHE 98 CO -0.14 -3.95 0.60 -1.21 -1.46 0.00 0.00 175.22 169.06 3kay s GLU 99 N 3.05 3.67 -0.60 10.12 8.01 -1.26 -5.05 118.70 136.63 3kay s GLU 99 Ca 0.75 0.12 0.05 0.00 0.01 0.00 0.00 54.97 55.89 3kay s GLU 99 Cb -0.38 -2.59 0.17 0.00 -4.31 0.00 0.00 34.13 27.02 3kay s GLU 99 CO 0.32 0.16 0.45 -0.12 0.01 0.00 0.00 175.26 176.08 3kay n MET 100 N -1.01 1.29 -3.62 1.61 1.56 -1.26 -4.87 117.12 110.82 3kay n MET 100 Ca -0.01 -4.04 -0.12 0.00 -0.27 0.00 0.00 57.70 53.26 3kay n MET 100 Cb 0.54 -2.07 -0.05 0.00 2.15 0.00 0.00 33.22 33.79 3kay n MET 100 CO 0.00 0.00 0.00 -0.98 -0.73 0.00 0.00 175.97 174.26 3kay s ARG 101 N -0.99 1.02 0.15 2.12 1.70 -1.26 -5.08 118.95 116.61 3kay s ARG 101 Ca 0.28 -0.45 -0.34 0.00 -0.47 0.00 0.00 55.73 54.75 3kay s ARG 101 Cb -0.01 0.46 -0.16 0.00 -0.57 0.00 0.00 34.95 34.67 3kay s ARG 101 CO -0.18 -0.38 1.13 0.28 -1.08 0.00 0.00 175.30 175.08 3kay n VAL 102 N 0.18 0.76 0.00 4.99 0.31 -1.26 -1.52 118.33 121.80 3kay n VAL 102 Ca -0.18 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 3kay n VAL 102 Cb 0.62 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 3kay n VAL 102 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kay n GLY 103 N 2.02 2.60 3.55 2.92 0.00 -0.57 -5.03 105.19 110.68 3kay n GLY 103 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3kay n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kay s THR 105 N -1.50 2.84 -0.12 0.00 -1.32 -1.26 -1.42 115.64 112.85 3kay s THR 105 Ca 0.69 -2.05 -0.16 0.00 -1.21 0.00 0.00 61.69 58.97 3kay s THR 105 Cb -0.48 -2.71 0.04 0.00 -1.51 0.00 0.00 72.50 67.84 3kay s THR 105 CO 0.53 -0.29 0.41 0.00 -2.21 0.00 0.00 174.62 173.06 3kay s ARG 106 N -3.66 0.56 -0.28 7.08 1.70 -0.20 -4.68 118.95 119.47 3kay s ARG 106 Ca 0.33 0.41 -0.10 0.00 -0.47 0.00 0.00 55.73 55.90 3kay s ARG 106 Cb -0.03 0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 34.58 3kay s ARG 106 CO 0.19 -0.10 0.16 -0.51 -1.08 0.00 0.00 175.30 173.96 3kay s ASP 107 N -0.18 5.77 -0.24 -2.89 1.01 -0.40 -1.33 116.67 118.42 3kay s ASP 107 Ca -0.03 -0.11 -0.08 0.00 0.71 0.00 0.00 52.55 53.03 3kay s ASP 107 Cb -0.03 -2.06 -0.04 0.00 1.01 0.00 0.00 42.92 41.80 3kay s ASP 107 CO 0.02 -0.06 0.09 -0.69 0.21 0.00 0.00 175.17 174.74 3kay s VAL 108 N 1.71 4.64 -0.43 -1.27 1.01 0.30 -1.24 120.40 125.13 3kay s VAL 108 Ca 0.07 -0.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 3kay s VAL 108 Cb -0.16 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.08 3kay s VAL 108 CO 0.09 0.35 0.87 0.20 0.00 0.00 0.00 175.10 176.61 3kay s ASN 109 N 1.33 6.52 0.12 3.32 -0.87 -0.16 0.75 114.94 125.96 3kay s ASN 109 Ca 0.05 0.19 -0.15 0.00 -1.57 0.00 0.00 52.86 51.39 3kay s ASN 109 Cb -0.15 -2.43 -0.07 0.00 -0.02 0.00 0.00 41.25 38.59 3kay s ASN 109 CO 0.04 -0.94 0.54 0.54 -2.57 0.00 0.00 177.10 174.72 3kay s VAL 110 N 3.50 4.84 -0.80 1.60 0.11 -0.48 -0.80 120.40 128.38 3kay s VAL 110 Ca 0.35 0.90 -0.19 0.00 -2.93 0.00 0.00 61.98 60.11 3kay s VAL 110 Cb -0.11 -3.76 0.12 0.00 -1.53 0.00 0.00 36.38 31.09 3kay s VAL 110 CO 0.23 0.32 0.99 -0.63 -3.33 0.00 0.00 175.10 172.67 3kay s ILE 111 N -1.38 4.73 0.52 7.04 1.01 0.27 -4.52 121.20 128.87 3kay s ILE 111 Ca 0.35 -1.27 0.04 0.00 0.00 0.00 0.00 60.65 59.77 3kay s ILE 111 Cb -0.16 -4.68 0.01 0.00 0.01 0.00 0.00 42.46 37.64 3kay s ILE 111 CO 0.19 -1.39 0.23 -0.94 0.00 0.00 0.00 174.94 173.03 3kay s SER 112 N 3.52 4.42 0.00 3.58 1.04 -1.26 -4.84 113.70 120.16 3kay s SER 112 Ca 0.25 -1.39 0.11 0.00 0.48 0.00 0.00 55.95 55.40 3kay s SER 112 Cb -0.11 0.38 0.49 0.00 0.10 0.00 0.00 66.02 66.88 3kay s SER 112 CO -0.02 -0.96 1.34 0.61 0.98 0.00 0.00 173.24 175.19 3kay n GLY 113 N -1.53 -0.46 2.03 7.32 0.00 -1.26 -4.88 105.19 106.41 3kay n GLY 113 Ca -0.08 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 3kay n GLY 113 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kay n LEU 114 N -0.24 0.00 -4.86 0.99 4.77 -1.26 -5.08 117.00 111.32 3kay n LEU 114 Ca 0.09 -1.24 -0.30 0.00 -0.03 0.00 0.00 56.01 54.53 3kay n LEU 114 Cb 0.13 -0.26 0.05 0.00 -2.33 0.00 0.00 43.42 41.01 3kay n LEU 114 CO 0.07 -0.66 0.73 -2.84 -1.33 0.00 0.00 177.39 173.36 3kay s PRO 115 N -3.51 2.84 -0.43 3.23 0.02 -1.26 -4.84 135.00 131.05 3kay s PRO 115 Ca 0.33 0.60 -0.20 0.00 0.02 0.00 0.00 61.00 61.75 3kay s PRO 115 Cb -0.02 -2.01 -0.11 0.00 0.02 0.00 0.00 34.50 32.38 3kay s PRO 115 CO 0.21 -1.08 1.35 0.00 -0.33 0.00 0.00 177.00 177.15 3kay n ALA 116 N -3.06 0.14 -3.85 -1.55 0.00 -1.26 -4.87 120.51 106.07 3kay n ALA 116 Ca 0.07 -0.05 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 3kay n ALA 116 Cb 0.56 -1.20 -0.12 0.00 0.00 0.00 0.00 19.45 18.69 3kay n ALA 116 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3kay s ASN 117 N 4.24 4.96 -0.21 0.00 3.84 -1.26 -5.07 114.94 121.43 3kay s ASN 117 Ca 0.71 -2.49 -0.19 0.00 0.21 0.00 0.00 52.86 51.10 3kay s ASN 117 Cb -0.74 -1.76 -0.03 0.00 -0.55 0.00 0.00 41.25 38.17 3kay s ASN 117 CO 0.31 -0.40 0.55 -0.89 -2.79 0.00 0.00 177.10 173.88 3kay s THR 118 N 0.46 5.07 -0.31 -5.21 2.01 -1.26 -1.38 115.64 115.03 3kay s THR 118 Ca 0.13 1.01 -0.12 0.00 0.31 0.00 0.00 61.69 63.02 3kay s THR 118 Cb -0.22 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 3kay s THR 118 CO -0.04 0.14 0.21 -0.55 -0.69 0.00 0.00 174.62 173.69 3kay s SER 119 N 1.24 5.98 -0.27 3.53 0.15 0.23 -4.35 113.70 120.21 3kay s SER 119 Ca 0.25 -0.23 -0.21 0.00 0.70 0.00 0.00 55.95 56.45 3kay s SER 119 Cb -0.16 -2.11 -0.01 0.00 -1.71 0.00 0.00 66.02 62.03 3kay s SER 119 CO 0.10 -0.14 0.67 -0.60 1.20 0.00 0.00 173.24 174.46 3kay s ARG 120 N 1.73 4.06 -0.05 5.44 6.06 -0.32 -0.54 118.95 135.33 3kay s ARG 120 Ca 0.06 0.54 0.05 0.00 -2.50 0.00 0.00 55.73 53.89 3kay s ARG 120 Cb -0.17 -3.67 -0.01 0.00 0.06 0.00 0.00 34.95 31.16 3kay s ARG 120 CO 0.10 -0.49 -0.20 -1.21 -2.50 0.00 0.00 175.30 171.01 3kay s GLU 121 N 2.61 2.09 -0.14 5.12 2.02 -0.44 -0.57 118.70 129.38 3kay s GLU 121 Ca 0.28 -0.72 -0.03 0.00 0.02 0.00 0.00 54.97 54.52 3kay s GLU 121 Cb -0.15 -1.78 -0.03 0.00 0.10 0.00 0.00 34.13 32.27 3kay s GLU 121 CO 0.09 0.29 -0.05 0.50 0.02 0.00 0.00 175.26 176.11 3kay s ARG 122 N -0.01 3.56 -0.45 1.61 3.52 -0.24 -1.03 118.95 125.92 3kay s ARG 122 Ca -0.04 -0.54 -0.28 0.00 -0.13 0.00 0.00 55.73 54.73 3kay s ARG 122 Cb -0.13 -2.85 0.01 0.00 -1.56 0.00 0.00 34.95 30.42 3kay s ARG 122 CO 0.03 0.27 1.47 -1.17 -0.81 0.00 0.00 175.30 175.09 3kay s LEU 123 N 0.26 3.52 0.03 -0.88 1.98 -0.51 -1.29 118.68 121.80 3kay s LEU 123 Ca -0.04 0.73 -0.05 0.00 -2.89 0.00 0.00 54.13 51.88 3kay s LEU 123 Cb -0.14 -3.39 -0.29 0.00 0.66 0.00 0.00 46.19 43.03 3kay s LEU 123 CO 0.03 -1.56 0.97 0.44 -1.89 0.00 0.00 176.35 174.34 3kay h ASP 124 N 11.16 0.45 -4.09 3.68 3.32 -0.93 -1.52 116.42 128.50 3kay h ASP 124 Ca -0.28 -0.56 -0.12 0.00 0.02 0.00 0.00 57.03 56.09 3kay h ASP 124 Cb 1.11 -0.15 -0.23 0.00 0.22 0.00 0.00 39.33 40.28 3kay h ASP 124 CO 1.11 1.45 -0.24 -0.22 -1.72 0.00 0.00 179.24 179.62 3kay s LEU 125 N -7.11 0.51 -0.30 1.55 2.96 -1.06 -4.84 118.68 110.38 3kay s LEU 125 Ca -0.07 0.68 0.01 0.00 -0.22 0.00 0.00 54.13 54.53 3kay s LEU 125 Cb 0.07 1.38 0.19 0.00 0.50 0.00 0.00 46.19 48.33 3kay s LEU 125 CO 0.87 -0.20 0.66 -0.22 -1.32 0.00 0.00 176.35 176.14 3kay s LEU 126 N -0.08 -1.37 -0.29 -0.68 2.96 -1.23 -2.15 118.68 115.84 3kay s LEU 126 Ca -0.03 0.46 0.01 0.00 -0.22 0.00 0.00 54.13 54.35 3kay s LEU 126 Cb -0.03 1.99 0.09 0.00 0.50 0.00 0.00 46.19 48.73 3kay s LEU 126 CO 0.01 -0.25 0.05 -0.62 -1.32 0.00 0.00 176.35 174.22 3kay s ASP 127 N 2.86 4.08 0.41 3.68 2.15 0.17 -4.97 116.67 125.05 3kay s ASP 127 Ca 0.15 -1.59 0.11 0.00 0.43 0.00 0.00 52.55 51.64 3kay s ASP 127 Cb -0.11 -1.10 0.88 0.00 -0.30 0.00 0.00 42.92 42.29 3kay s ASP 127 CO -0.23 -0.36 1.97 0.44 -0.17 0.00 0.00 175.17 176.83 3kay h ASP 128 N 7.96 0.19 -0.29 -0.34 3.32 -1.97 0.30 116.42 125.60 3kay h ASP 128 Ca -0.13 -0.03 -0.18 0.00 0.02 0.00 0.00 57.03 56.71 3kay h ASP 128 Cb 1.04 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3kay h ASP 128 CO 0.46 0.30 -0.53 0.44 -1.72 0.00 0.00 179.24 178.19 3kay h ASP 129 N 0.20 0.96 0.14 6.45 3.32 -1.97 -3.19 116.42 122.34 3kay h ASP 129 Ca 0.04 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3kay h ASP 129 Cb 0.27 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3kay h ASP 129 CO 0.01 1.31 -0.40 0.54 -1.72 0.00 0.00 179.24 178.99 3kay n ARG 130 N -4.03 0.89 -3.18 3.56 1.74 -1.11 -5.00 116.66 109.52 3kay n ARG 130 Ca -0.04 -0.63 -0.07 0.00 -0.77 0.00 0.00 57.85 56.33 3kay n ARG 130 Cb 0.62 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 30.60 3kay n ARG 130 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kay n ARG 131 N -0.50 -1.62 -3.86 5.56 1.74 0.10 -4.68 116.66 113.40 3kay n ARG 131 Ca 0.10 1.21 -0.19 0.00 -0.77 0.00 0.00 57.85 58.20 3kay n ARG 131 Cb 0.39 -5.55 -0.17 0.00 -1.02 0.00 0.00 32.46 26.11 3kay n ARG 131 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kay s VAL 132 N -3.15 0.20 0.23 1.55 1.01 -0.87 -2.46 120.40 116.91 3kay s VAL 132 Ca 0.17 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.34 3kay s VAL 132 Cb -0.03 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 3kay s VAL 132 CO 0.76 0.19 -0.05 -0.89 0.00 0.00 0.00 175.10 175.10 3kay s THR 133 N 1.46 1.31 -0.12 3.92 2.01 -0.63 -0.66 115.64 122.94 3kay s THR 133 Ca -0.03 -2.09 -0.30 0.00 0.31 0.00 0.00 61.69 59.58 3kay s THR 133 Cb -0.13 -2.25 0.10 0.00 0.01 0.00 0.00 72.50 70.23 3kay s THR 133 CO -0.03 -0.43 0.85 -0.83 -0.69 0.00 0.00 174.62 173.50 3kay s GLY 134 N -3.32 -0.41 0.16 4.40 0.00 -0.91 -0.78 107.32 106.45 3kay s GLY 134 Ca 0.26 1.75 -0.05 0.00 0.00 0.00 0.00 44.72 46.68 3kay s GLY 134 CO 0.08 1.06 0.18 -0.11 0.00 0.00 0.00 173.10 174.31 3kay s PHE 135 N -1.03 0.65 0.17 1.90 -0.12 -0.43 -0.21 117.98 118.92 3kay s PHE 135 Ca -0.05 -1.01 0.10 0.00 -0.05 0.00 0.00 56.93 55.91 3kay s PHE 135 Cb -0.01 -0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 3kay s PHE 135 CO 0.05 -0.64 -0.21 -1.12 -0.05 0.00 0.00 175.22 173.25 3kay s SER 136 N -3.02 2.96 -0.47 1.98 0.01 -0.41 -1.12 113.70 113.63 3kay s SER 136 Ca 0.22 -0.84 -0.17 0.00 1.31 0.00 0.00 55.95 56.47 3kay s SER 136 Cb 0.05 -0.19 0.05 0.00 0.21 0.00 0.00 66.02 66.14 3kay s SER 136 CO 0.02 0.04 0.50 -0.63 0.41 0.00 0.00 173.24 173.58 3kay s ILE 137 N -1.77 5.05 -0.40 1.44 -1.09 -0.26 -1.07 121.20 123.10 3kay s ILE 137 Ca 0.16 -0.62 0.23 0.00 -2.23 0.00 0.00 60.65 58.19 3kay s ILE 137 Cb -0.07 -4.17 0.28 0.00 -1.58 0.00 0.00 42.46 36.93 3kay s ILE 137 CO 0.07 -0.62 1.53 0.71 -1.23 0.00 0.00 174.94 175.41 3kay h THR 138 N 5.79 0.05 0.00 2.92 1.35 -1.16 -3.38 112.91 118.48 3kay h THR 138 Ca -0.27 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 3kay h THR 138 Cb 1.10 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.49 3kay h THR 138 CO 0.89 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 176.79 3kay n GLY 139 N 1.12 0.22 2.17 5.82 0.00 -1.21 -4.99 105.19 108.31 3kay n GLY 139 Ca 0.03 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3kay n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kay n GLY 140 N -0.26 0.75 2.69 -0.02 0.00 -1.26 -1.18 105.19 105.91 3kay n GLY 140 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3kay n GLY 140 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kay s GLU 141 N -0.13 1.48 0.61 1.61 2.56 -1.26 -4.18 118.70 119.39 3kay s GLU 141 Ca 0.00 -2.33 0.34 0.00 0.00 0.00 0.00 54.97 52.98 3kay s GLU 141 Cb 0.00 -2.41 1.99 0.00 2.00 0.00 0.00 34.13 35.71 3kay s GLU 141 CO 0.00 -1.23 2.29 1.12 -0.56 0.00 0.00 175.26 176.88 3kay h HIS 142 N 6.22 0.00 0.00 5.30 2.07 -1.97 -1.95 115.15 124.82 3kay h HIS 142 Ca 0.08 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.59 3kay h HIS 142 Cb 0.89 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.86 3kay h HIS 142 CO 0.48 0.00 -0.02 0.00 -3.07 0.00 0.00 177.93 175.33 3kay h ARG 143 N 0.00 0.00 -2.08 5.12 3.08 -2.01 -3.38 114.38 115.10 3kay h ARG 143 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3kay h ARG 143 Cb 0.00 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.66 3kay h ARG 143 CO 0.00 0.02 -1.01 1.28 -1.07 0.00 0.00 179.97 179.19 3kay n LEU 144 N -3.11 0.72 -4.74 3.04 4.77 -0.73 -5.01 117.00 111.94 3kay n LEU 144 Ca 0.03 -4.79 -0.40 0.00 -0.03 0.00 0.00 56.01 50.81 3kay n LEU 144 Cb 0.46 0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 41.90 3kay n LEU 144 CO 0.32 2.04 0.61 -0.13 -1.33 0.00 0.00 177.39 178.91 3kay s ARG 145 N -1.27 4.69 -1.47 3.23 0.52 -1.25 -3.24 118.95 120.16 3kay s ARG 145 Ca 0.35 1.37 -0.11 0.00 -0.52 0.00 0.00 55.73 56.83 3kay s ARG 145 Cb 0.15 -3.34 0.06 0.00 0.52 0.00 0.00 34.95 32.33 3kay s ARG 145 CO -0.10 0.32 0.87 0.09 0.02 0.00 0.00 175.30 176.50 3kay n ASN 146 N 2.39 -5.20 -4.70 0.23 5.03 -1.26 -1.54 115.26 110.21 3kay n ASN 146 Ca -0.00 -0.58 -0.42 0.00 0.87 0.00 0.00 54.58 54.45 3kay n ASN 146 Cb 0.49 -4.17 -0.03 0.00 -1.02 0.00 0.00 39.78 35.05 3kay n ASN 146 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 3kay s TYR 147 N -3.22 3.11 -0.06 3.10 5.04 -1.20 -4.42 117.35 119.69 3kay s TYR 147 Ca 0.54 0.98 0.02 0.00 -2.44 0.00 0.00 57.07 56.17 3kay s TYR 147 Cb -0.26 -3.61 0.02 0.00 0.35 0.00 0.00 41.96 38.46 3kay s TYR 147 CO 0.67 -2.13 -0.09 0.21 -1.34 0.00 0.00 175.55 172.87 3kay s LYS 148 N 1.72 1.39 0.08 4.97 2.20 0.18 -1.10 119.74 129.18 3kay s LYS 148 Ca 0.63 -0.29 0.06 0.00 -0.36 0.00 0.00 55.97 56.00 3kay s LYS 148 Cb -0.32 -1.23 -0.03 0.00 -1.51 0.00 0.00 37.83 34.74 3kay s LYS 148 CO 0.28 -0.04 -0.17 0.45 -0.36 0.00 0.00 175.35 175.52 3kay s SER 149 N 0.85 1.98 -0.02 1.43 0.15 -0.28 0.11 113.70 117.93 3kay s SER 149 Ca -0.12 -0.62 0.01 0.00 0.70 0.00 0.00 55.95 55.93 3kay s SER 149 Cb -0.15 -0.09 0.01 0.00 -1.71 0.00 0.00 66.02 64.07 3kay s SER 149 CO 0.01 -0.01 -0.04 -0.69 1.20 0.00 0.00 173.24 173.71 3kay s VAL 150 N -1.17 0.40 -0.11 4.45 1.01 -0.07 -1.31 120.40 123.61 3kay s VAL 150 Ca 0.02 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.87 3kay s VAL 150 Cb -0.10 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 35.91 3kay s VAL 150 CO 0.03 0.14 -0.21 -0.89 0.00 0.00 0.00 175.10 174.17 3kay s THR 151 N 0.24 1.90 -0.01 3.92 2.01 0.04 -1.44 115.64 122.30 3kay s THR 151 Ca -0.02 -0.91 0.07 0.00 0.31 0.00 0.00 61.69 61.14 3kay s THR 151 Cb -0.06 -1.67 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 3kay s THR 151 CO -0.00 0.52 -0.23 0.42 -0.69 0.00 0.00 174.62 174.64 3kay s THR 152 N 0.59 1.82 -0.12 -0.82 -4.23 -0.13 -1.61 115.64 111.14 3kay s THR 152 Ca -0.14 -1.04 -0.01 0.00 -1.18 0.00 0.00 61.69 59.33 3kay s THR 152 Cb -0.17 -1.52 -0.02 0.00 1.34 0.00 0.00 72.50 72.13 3kay s THR 152 CO 0.04 0.47 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.81 3kay s VAL 153 N -0.59 3.49 0.02 2.29 1.01 -1.03 -0.86 120.40 124.73 3kay s VAL 153 Ca 0.09 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.60 3kay s VAL 153 Cb -0.09 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 3kay s VAL 153 CO -0.00 0.53 -0.15 -1.00 0.00 0.00 0.00 175.10 174.47 3kay s HIS 154 N 0.10 1.34 0.05 5.22 3.76 0.10 -4.80 115.29 121.06 3kay s HIS 154 Ca -0.03 -0.30 -0.20 0.00 -0.15 0.00 0.00 55.06 54.38 3kay s HIS 154 Cb -0.14 -0.83 -0.06 0.00 1.11 0.00 0.00 32.58 32.66 3kay s HIS 154 CO 0.04 0.02 0.58 0.50 -0.85 0.00 0.00 174.74 175.02 3kay s ARG 155 N -0.76 4.24 -0.22 1.40 3.52 -1.26 -1.13 118.95 124.73 3kay s ARG 155 Ca 0.04 0.74 -0.04 0.00 -0.13 0.00 0.00 55.73 56.34 3kay s ARG 155 Cb -0.07 -3.27 0.09 0.00 -1.56 0.00 0.00 34.95 30.15 3kay s ARG 155 CO 0.00 0.56 0.20 -0.06 -0.81 0.00 0.00 175.30 175.19 3kay s PHE 156 N -0.84 -0.16 0.15 5.12 0.08 -0.12 -4.89 117.98 117.32 3kay s PHE 156 Ca 0.30 -0.05 -0.14 0.00 0.12 0.00 0.00 56.93 57.15 3kay s PHE 156 Cb -0.19 -0.49 0.02 0.00 -0.57 0.00 0.00 43.02 41.79 3kay s PHE 156 CO 0.18 -0.66 0.39 -1.83 -0.10 0.00 0.00 175.22 173.21 3kay s GLU 157 N 2.27 1.14 0.00 0.44 -1.05 -1.26 -1.74 118.70 118.50 3kay s GLU 157 Ca 0.07 -0.86 0.00 0.00 -0.15 0.00 0.00 54.97 54.03 3kay s GLU 157 Cb -0.16 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 3kay s GLU 157 CO -0.17 -0.45 0.00 0.54 0.95 0.00 0.00 175.26 176.13 3kay n ARG 164 N -0.24 0.00 -4.56 -4.83 3.00 -1.26 -5.08 116.66 103.69 3kay n ARG 164 Ca -0.13 0.00 -0.33 0.00 -0.01 0.00 0.00 57.85 57.38 3kay n ARG 164 Cb 0.63 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.94 3kay n ARG 164 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3kay s ILE 165 N 0.00 2.58 0.14 0.55 1.01 -1.26 -5.13 121.20 119.09 3kay s ILE 165 Ca 0.00 -0.80 0.07 0.00 0.00 0.00 0.00 60.65 59.92 3kay s ILE 165 Cb 0.00 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 3kay s ILE 165 CO 0.00 0.52 -0.02 0.26 0.00 0.00 0.00 174.94 175.70 3kay s TRP 166 N 0.80 2.85 0.12 3.97 0.52 -0.71 -2.93 118.94 123.55 3kay s TRP 166 Ca -0.06 -0.12 0.10 0.00 0.02 0.00 0.00 56.10 56.04 3kay s TRP 166 Cb -0.15 -1.42 -0.04 0.00 -1.15 0.00 0.00 33.47 30.71 3kay s TRP 166 CO -0.00 0.49 -0.24 0.99 0.02 0.00 0.00 176.95 178.20 3kay s THR 167 N -1.53 2.04 -0.06 2.01 2.01 -0.11 -0.95 115.64 119.05 3kay s THR 167 Ca 0.26 -1.67 0.06 0.00 0.31 0.00 0.00 61.69 60.64 3kay s THR 167 Cb -0.10 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 3kay s THR 167 CO 0.17 0.03 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.19 3kay s VAL 168 N -1.10 2.06 -0.17 3.82 1.01 -0.29 -0.59 120.40 125.14 3kay s VAL 168 Ca 0.11 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 3kay s VAL 168 Cb -0.10 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 3kay s VAL 168 CO 0.05 0.57 -0.12 -0.69 0.00 0.00 0.00 175.10 174.92 3kay s VAL 169 N -0.10 2.97 -0.06 2.92 1.01 -0.45 0.01 120.40 126.69 3kay s VAL 169 Ca -0.06 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3kay s VAL 169 Cb -0.14 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3kay s VAL 169 CO 0.04 0.49 -0.04 -0.76 0.00 0.00 0.00 175.10 174.83 3kay s LEU 170 N 0.88 3.30 -0.03 3.92 1.43 -0.03 -1.20 118.68 126.96 3kay s LEU 170 Ca -0.03 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 3kay s LEU 170 Cb -0.15 -1.76 0.03 0.00 0.03 0.00 0.00 46.19 44.34 3kay s LEU 170 CO -0.00 0.35 -0.00 -0.70 0.23 0.00 0.00 176.35 176.23 3kay s GLU 171 N -0.95 0.35 0.16 1.70 2.12 -0.24 -0.96 118.70 120.88 3kay s GLU 171 Ca 0.14 0.05 0.02 0.00 0.36 0.00 0.00 54.97 55.54 3kay s GLU 171 Cb -0.11 -0.50 -0.05 0.00 0.26 0.00 0.00 34.13 33.73 3kay s GLU 171 CO 0.03 -0.12 -0.00 -1.54 -0.54 0.00 0.00 175.26 173.08 3kay s SER 172 N 0.98 1.19 0.04 -1.70 1.04 -0.52 -0.50 113.70 114.23 3kay s SER 172 Ca -0.10 -1.15 -0.15 0.00 0.48 0.00 0.00 55.95 55.03 3kay s SER 172 Cb -0.13 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.13 3kay s SER 172 CO -0.01 -0.56 0.33 -0.72 0.98 0.00 0.00 173.24 173.26 3kay s TYR 173 N -3.66 -0.14 -0.05 5.02 -0.85 -1.03 -0.89 117.35 115.75 3kay s TYR 173 Ca 0.23 0.03 0.06 0.00 -0.52 0.00 0.00 57.07 56.87 3kay s TYR 173 Cb 0.06 0.12 -0.01 0.00 0.38 0.00 0.00 41.96 42.51 3kay s TYR 173 CO 0.03 -0.52 -0.25 0.54 -1.52 0.00 0.00 175.55 173.83 3kay s VAL 174 N -2.52 2.05 0.04 -3.49 0.11 0.12 -2.74 120.40 113.96 3kay s VAL 174 Ca -0.05 -1.07 -0.01 0.00 -2.93 0.00 0.00 61.98 57.92 3kay s VAL 174 Cb -0.01 -1.73 -0.03 0.00 -1.53 0.00 0.00 36.38 33.08 3kay s VAL 174 CO -0.03 0.57 -0.02 0.54 -3.33 0.00 0.00 175.10 172.83 3kay s VAL 175 N -0.24 0.19 0.58 2.04 0.11 -0.43 -0.65 120.40 122.00 3kay s VAL 175 Ca -0.01 -1.53 -0.17 0.00 -2.93 0.00 0.00 61.98 57.34 3kay s VAL 175 Cb -0.13 -1.15 -0.04 0.00 -1.53 0.00 0.00 36.38 33.53 3kay s VAL 175 CO 0.03 -0.84 1.07 -1.81 -3.33 0.00 0.00 175.10 170.21 3kay s ASP 176 N -2.49 5.78 -0.31 3.54 1.01 -0.59 -1.83 116.67 121.79 3kay s ASP 176 Ca 0.00 1.88 -0.02 0.00 0.71 0.00 0.00 52.55 55.12 3kay s ASP 176 Cb 0.03 -2.54 0.10 0.00 1.01 0.00 0.00 42.92 41.52 3kay s ASP 176 CO -0.07 -1.17 0.11 -0.69 0.21 0.00 0.00 175.17 173.56 3kay s VAL 177 N -2.33 0.63 0.25 -1.27 1.01 -0.40 -4.69 120.40 113.59 3kay s VAL 177 Ca 0.65 -1.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 3kay s VAL 177 Cb -0.17 -1.49 -0.10 0.00 0.00 0.00 0.00 36.38 34.62 3kay s VAL 177 CO 0.34 -0.70 1.50 -2.16 0.00 0.00 0.00 175.10 174.08 3kay s PRO 178 N 1.69 4.22 0.32 2.72 0.04 -1.26 -4.40 135.00 138.33 3kay s PRO 178 Ca 0.10 2.39 -0.27 0.00 0.04 0.00 0.00 61.00 63.26 3kay s PRO 178 Cb -0.17 -3.09 -0.14 0.00 0.04 0.00 0.00 34.50 31.14 3kay s PRO 178 CO -0.27 -0.51 0.95 -1.91 0.04 0.00 0.00 177.00 175.30 3kay n GLU 179 N 2.54 1.24 0.00 4.56 2.13 -1.26 -1.69 120.64 128.15 3kay n GLU 179 Ca 0.08 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.34 3kay n GLU 179 Cb 0.39 -1.81 0.00 0.00 0.27 0.00 0.00 31.44 30.29 3kay n GLU 179 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kay n GLY 180 N 1.29 3.06 3.77 8.31 0.00 -1.26 -5.04 105.19 115.31 3kay n GLY 180 Ca 0.10 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.87 3kay n GLY 180 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kay s ASN 181 N 0.00 6.82 -0.00 1.61 -0.87 -0.68 -5.01 114.94 116.79 3kay s ASN 181 Ca 0.00 2.43 -0.24 0.00 -1.57 0.00 0.00 52.86 53.48 3kay s ASN 181 Cb 0.00 -2.63 -0.05 0.00 -0.02 0.00 0.00 41.25 38.55 3kay s ASN 181 CO 0.00 -0.48 0.71 -0.94 -2.57 0.00 0.00 177.10 173.83 3kay s SER 182 N -0.87 7.09 0.24 -1.22 1.04 -1.26 -4.84 113.70 113.89 3kay s SER 182 Ca 0.51 1.31 -0.05 0.00 0.48 0.00 0.00 55.95 58.20 3kay s SER 182 Cb -0.34 -2.43 0.41 0.00 0.10 0.00 0.00 66.02 63.76 3kay s SER 182 CO 0.44 -0.01 1.76 -0.08 0.98 0.00 0.00 173.24 176.33 3kay h GLU 183 N 6.03 0.56 -0.19 4.02 4.81 -1.96 -2.85 114.58 125.00 3kay h GLU 183 Ca -0.43 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 58.79 3kay h GLU 183 Cb 1.20 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 3kay h GLU 183 CO 0.72 0.37 0.01 0.93 -0.73 0.00 0.00 179.01 180.31 3kay h GLU 184 N 0.57 0.07 0.20 1.92 3.07 -1.99 -1.16 114.58 117.27 3kay h GLU 184 Ca 0.39 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.24 3kay h GLU 184 Cb 0.49 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 3kay h GLU 184 CO -0.32 0.05 -0.15 -0.44 -1.40 0.00 0.00 179.01 176.75 3kay h ASP 185 N 0.08 -0.38 -0.41 1.42 3.45 -1.93 0.17 116.42 118.81 3kay h ASP 185 Ca 0.09 0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.54 3kay h ASP 185 Cb 0.10 0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.97 3kay h ASP 185 CO -0.14 -0.24 0.14 0.00 -1.57 0.00 0.00 179.24 177.43 3kay h THR 186 N -0.36 1.20 -0.45 0.35 1.03 -1.28 -0.38 112.91 113.02 3kay h THR 186 Ca -0.01 -0.69 -0.04 0.00 -0.01 0.00 0.00 66.41 65.65 3kay h THR 186 Cb 0.31 0.69 -0.02 0.00 -1.07 0.00 0.00 68.15 68.07 3kay h THR 186 CO -0.00 0.26 0.11 -0.09 -0.01 0.00 0.00 175.52 175.79 3kay h ARG 187 N 0.69 0.72 -0.73 0.00 2.43 -0.98 -2.14 114.38 114.36 3kay h ARG 187 Ca 0.16 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 3kay h ARG 187 Cb 0.23 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 3kay h ARG 187 CO -0.01 0.71 0.22 -0.07 -1.51 0.00 0.00 179.97 179.32 3kay h LEU 188 N 0.60 1.07 0.86 3.80 3.38 0.57 0.36 115.31 125.95 3kay h LEU 188 Ca 0.14 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3kay h LEU 188 Cb 0.31 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.79 3kay h LEU 188 CO 0.00 1.00 -0.41 0.15 0.09 0.00 0.00 178.44 179.26 3kay h PHE 189 N 1.09 -1.07 -0.27 1.13 3.04 -1.05 -2.11 116.94 117.70 3kay h PHE 189 Ca 0.24 -0.03 0.07 0.00 3.98 0.00 0.00 57.97 62.23 3kay h PHE 189 Cb 0.31 0.36 -0.07 0.00 2.56 0.00 0.00 35.95 39.11 3kay h PHE 189 CO 0.03 -0.66 -0.26 0.00 -2.02 0.00 0.00 178.31 175.40 3kay h ALA 190 N -1.11 -0.13 -0.81 2.41 0.00 -1.12 -2.23 119.26 116.26 3kay h ALA 190 Ca -0.12 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kay h ALA 190 Cb 0.89 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 3kay h ALA 190 CO 0.19 -0.68 0.50 -0.44 0.00 0.00 0.00 179.25 178.83 3kay h ASP 191 N -0.25 0.96 -0.06 0.00 5.19 -0.29 -2.09 116.42 119.88 3kay h ASP 191 Ca 0.15 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.49 3kay h ASP 191 Cb 0.48 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.74 3kay h ASP 191 CO -0.42 0.72 -0.02 0.74 -3.12 0.00 0.00 179.24 177.15 3kay h THR 192 N 1.11 1.31 -0.63 0.35 2.02 -0.91 -0.92 112.91 115.24 3kay h THR 192 Ca 0.29 -0.96 0.03 0.00 0.77 0.00 0.00 66.41 66.54 3kay h THR 192 Cb -0.07 1.83 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 3kay h THR 192 CO -0.06 0.26 0.38 -0.37 0.37 0.00 0.00 175.52 176.11 3kay h VAL 193 N -0.24 1.05 -0.36 3.16 -1.51 -1.24 -1.28 116.25 115.84 3kay h VAL 193 Ca 0.01 -0.25 -0.01 0.00 -1.23 0.00 0.00 66.70 65.22 3kay h VAL 193 Cb 0.43 0.25 -0.02 0.00 -2.13 0.00 0.00 31.29 29.82 3kay h VAL 193 CO 0.01 0.13 0.18 0.40 -1.23 0.00 0.00 177.57 177.06 3kay h ILE 194 N 0.74 1.16 -0.39 7.19 1.08 -1.21 -0.25 117.51 125.83 3kay h ILE 194 Ca 0.26 -0.43 0.07 0.00 -0.39 0.00 0.00 64.86 64.37 3kay h ILE 194 Cb 0.06 0.79 -0.06 0.00 -3.07 0.00 0.00 36.82 34.54 3kay h ILE 194 CO -0.12 0.16 0.04 0.03 -0.69 0.00 0.00 178.15 177.57 3kay h ARG 195 N 0.44 0.15 -0.45 2.37 3.08 -0.81 0.18 114.38 119.34 3kay h ARG 195 Ca 0.12 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 3kay h ARG 195 Cb 0.10 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3kay h ARG 195 CO -0.02 0.10 0.09 -0.07 -1.07 0.00 0.00 179.97 179.00 3kay h LEU 196 N 0.15 0.69 -0.86 3.04 3.38 -0.79 -0.58 115.31 120.34 3kay h LEU 196 Ca 0.19 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3kay h LEU 196 Cb 0.25 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3kay h LEU 196 CO -0.28 0.76 0.55 0.78 0.09 0.00 0.00 178.44 180.34 3kay h ASN 197 N 0.60 0.90 -0.09 -0.43 2.35 -0.35 -1.36 115.58 117.20 3kay h ASN 197 Ca 0.14 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.71 3kay h ASN 197 Cb 0.35 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 3kay h ASN 197 CO 0.01 0.61 -0.59 -0.07 -1.65 0.00 0.00 177.43 175.74 3kay h LEU 198 N 1.05 0.77 -0.59 1.61 3.38 -0.29 0.46 115.31 121.70 3kay h LEU 198 Ca 0.35 -0.43 0.07 0.00 0.09 0.00 0.00 57.88 57.96 3kay h LEU 198 Cb 0.05 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 3kay h LEU 198 CO -0.13 1.19 0.28 1.56 0.09 0.00 0.00 178.44 181.42 3kay h GLN 199 N 0.52 0.49 -0.52 1.13 4.20 -0.85 0.05 115.11 120.14 3kay h GLN 199 Ca 0.00 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.58 3kay h GLN 199 Cb 1.17 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 3kay h GLN 199 CO 0.12 0.33 -0.08 -0.22 -0.67 0.00 0.00 178.83 178.31 3kay h LYS 200 N 0.51 0.97 -0.42 1.46 3.64 -0.93 -1.92 116.57 119.87 3kay h LYS 200 Ca 0.28 -0.35 0.07 0.00 -1.27 0.00 0.00 60.65 59.38 3kay h LYS 200 Cb 0.25 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 3kay h LYS 200 CO -0.23 1.02 0.03 1.25 -2.27 0.00 0.00 179.45 179.25 3kay h LEU 201 N 0.83 -0.10 0.17 5.20 5.85 -0.55 0.34 115.31 127.04 3kay h LEU 201 Ca 0.14 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.96 3kay h LEU 201 Cb 0.63 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 3kay h LEU 201 CO 0.04 -0.02 -0.49 0.00 -0.34 0.00 0.00 178.44 177.64 3kay h ALA 202 N 1.35 -0.92 -0.16 1.25 0.00 -0.76 -0.52 119.26 119.49 3kay h ALA 202 Ca 0.21 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3kay h ALA 202 Cb 0.28 0.81 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 3kay h ALA 202 CO -0.32 -1.09 -0.41 0.77 0.00 0.00 0.00 179.25 178.21 3kay h SER 203 N -0.75 -1.29 -0.99 0.00 0.02 -0.50 0.48 113.55 110.52 3kay h SER 203 Ca -0.00 0.18 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 3kay h SER 203 Cb 0.75 0.53 -0.05 0.00 0.14 0.00 0.00 62.40 63.77 3kay h SER 203 CO -0.25 -0.41 0.66 0.40 -1.14 0.00 0.00 176.83 176.08 3kay h ILE 204 N -0.47 1.22 0.05 3.27 1.08 -0.27 -0.86 117.51 121.53 3kay h ILE 204 Ca 0.08 -0.45 -0.27 0.00 -0.39 0.00 0.00 64.86 63.83 3kay h ILE 204 Cb 0.61 -0.20 0.02 0.00 -3.07 0.00 0.00 36.82 34.18 3kay h ILE 204 CO -0.41 0.24 -1.11 0.00 -0.69 0.00 0.00 178.15 176.18 3kay h THR 205 N 1.31 1.32 0.00 -0.27 1.03 -0.58 -2.79 112.91 112.93 3kay h THR 205 Ca 0.38 -2.42 -0.04 0.00 -0.01 0.00 0.00 66.41 64.31 3kay h THR 205 Cb -0.09 2.54 -0.01 0.00 -1.07 0.00 0.00 68.15 69.53 3kay h THR 205 CO -0.10 0.74 -0.19 -0.33 -0.01 0.00 0.00 175.52 175.63 3kay h GLU 206 N 0.29 0.00 -0.01 0.00 5.08 0.23 -2.44 114.58 117.74 3kay h GLU 206 Ca -0.14 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.04 3kay h GLU 206 Cb 1.77 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.01 3kay h GLU 206 CO 0.21 0.19 -0.81 0.00 -1.00 0.00 0.00 179.01 177.60 3kay h ALA 207 N 1.81 0.63 0.00 3.43 0.00 -1.07 -3.21 119.26 120.85 3kay h ALA 207 Ca -0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3kay h ALA 207 Cb 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3kay h ALA 207 CO 0.02 0.92 0.00 -1.33 0.00 0.00 0.00 179.25 178.86 3kay n MET 208 N -3.66 0.40 -1.56 0.00 2.81 -0.92 -2.69 117.12 111.50 3kay n MET 208 Ca -0.02 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.50 3kay n MET 208 Cb 0.76 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.84 3kay n MET 208 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3kay n ASN 209 N -1.00 7.61 0.00 7.83 3.02 -1.21 -5.11 115.26 126.40 3kay n ASN 209 Ca 0.09 -3.79 0.00 0.00 -0.03 0.00 0.00 54.58 50.85 3kay n ASN 209 Cb 0.04 -1.02 0.00 0.00 -0.61 0.00 0.00 39.78 38.19 3kay n ASN 209 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18