#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcq n GLU 4 N 0.00 0.00 -2.32 1.97 2.13 -1.19 -4.75 120.64 116.49 3kcq n GLU 4 Ca 0.00 0.17 -0.43 0.00 0.66 0.00 0.00 57.16 57.56 3kcq n GLU 4 Cb 0.00 -0.63 -0.02 0.00 0.27 0.00 0.00 31.44 31.06 3kcq n GLU 4 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3kcq s LEU 5 N -2.37 4.10 -0.23 4.31 2.96 -1.15 -4.97 118.68 121.33 3kcq s LEU 5 Ca 0.00 1.66 -0.09 0.00 -0.22 0.00 0.00 54.13 55.48 3kcq s LEU 5 Cb 0.00 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 3kcq s LEU 5 CO 0.00 -0.92 0.12 -0.13 -1.32 0.00 0.00 176.35 174.10 3kcq s ARG 6 N 3.89 3.99 -0.06 1.98 1.81 -1.26 -1.59 118.95 127.70 3kcq s ARG 6 Ca 0.60 -0.32 0.04 0.00 -1.72 0.00 0.00 55.73 54.34 3kcq s ARG 6 Cb -0.23 -3.43 -0.02 0.00 -0.45 0.00 0.00 34.95 30.82 3kcq s ARG 6 CO 0.21 0.07 -0.19 0.08 -0.68 0.00 0.00 175.30 174.79 3kcq s VAL 7 N 0.98 2.57 -0.10 3.52 1.01 -0.06 -0.98 120.40 127.33 3kcq s VAL 7 Ca 0.06 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 3kcq s VAL 7 Cb -0.13 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 3kcq s VAL 7 CO 0.03 0.57 -0.09 -0.83 0.00 0.00 0.00 175.10 174.78 3kcq s GLY 8 N -0.33 1.62 -0.13 4.51 0.00 -0.58 -0.67 107.32 111.74 3kcq s GLY 8 Ca 0.02 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.86 3kcq s GLY 8 CO 0.02 -0.39 -0.15 0.14 0.00 0.00 0.00 173.10 172.72 3kcq s VAL 9 N -0.16 2.79 -0.23 1.40 1.01 -0.66 -0.78 120.40 123.77 3kcq s VAL 9 Ca 0.01 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 3kcq s VAL 9 Cb -0.13 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3kcq s VAL 9 CO 0.03 0.52 0.08 -0.76 0.00 0.00 0.00 175.10 174.97 3kcq s LEU 10 N 0.51 3.64 0.23 3.92 1.02 0.03 -1.40 118.68 126.63 3kcq s LEU 10 Ca -0.10 -0.08 0.04 0.00 0.02 0.00 0.00 54.13 54.01 3kcq s LEU 10 Cb -0.16 -1.96 -0.05 0.00 0.02 0.00 0.00 46.19 44.04 3kcq s LEU 10 CO 0.04 0.04 -0.03 0.27 0.02 0.00 0.00 176.35 176.69 3kcq s ILE 11 N 1.17 1.21 0.00 -0.59 -4.36 0.09 -1.44 121.20 117.27 3kcq s ILE 11 Ca 0.05 -2.06 0.00 0.00 -0.26 0.00 0.00 60.65 58.38 3kcq s ILE 11 Cb -0.14 -2.29 0.00 0.00 1.25 0.00 0.00 42.46 41.27 3kcq s ILE 11 CO 0.04 -0.38 0.00 -1.20 0.24 0.00 0.00 174.94 173.64 3kcq n SER 12 N -0.43 0.79 0.00 4.36 7.64 -1.17 -3.33 113.62 121.48 3kcq n SER 12 Ca -0.06 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.77 3kcq n SER 12 Cb 0.63 0.26 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 3kcq n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kcq n GLY 13 N 0.50 3.44 0.19 0.23 0.00 -1.26 -4.43 105.19 103.85 3kcq n GLY 13 Ca 0.00 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.75 3kcq n GLY 13 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kcq h ARG 14 N 0.00 0.00 -3.05 1.61 3.08 -1.92 -1.19 114.38 112.90 3kcq h ARG 14 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 3kcq h ARG 14 Cb 0.00 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.11 3kcq h ARG 14 CO 0.00 0.00 -0.28 0.41 -1.07 0.00 0.00 179.97 179.03 3kcq n GLY 15 N 1.14 0.30 0.19 0.04 0.00 -1.26 -2.28 105.19 103.32 3kcq n GLY 15 Ca 0.04 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 3kcq n GLY 15 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3kcq h SER 16 N -0.96 0.65 -0.63 1.61 0.87 -1.92 -1.48 113.55 111.69 3kcq h SER 16 Ca -0.22 -0.44 -0.07 0.00 -1.23 0.00 0.00 61.79 59.83 3kcq h SER 16 Cb 1.14 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.90 3kcq h SER 16 CO 0.21 0.95 0.13 0.78 -0.53 0.00 0.00 176.83 178.36 3kcq h ASN 17 N 0.35 0.98 -0.80 6.23 2.35 -1.92 -2.27 115.58 120.50 3kcq h ASN 17 Ca 0.05 -0.25 0.11 0.00 -0.55 0.00 0.00 56.30 55.66 3kcq h ASN 17 Cb 0.73 -0.26 -0.08 0.00 0.05 0.00 0.00 38.32 38.76 3kcq h ASN 17 CO 0.05 0.97 0.43 0.25 -1.65 0.00 0.00 177.43 177.49 3kcq h LEU 18 N 0.94 0.58 -0.33 1.61 5.85 -1.86 -1.53 115.31 120.58 3kcq h LEU 18 Ca 0.19 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3kcq h LEU 18 Cb 0.40 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3kcq h LEU 18 CO 0.01 0.31 0.15 -0.08 -0.34 0.00 0.00 178.44 178.49 3kcq h GLU 19 N 0.70 0.48 -0.93 1.25 4.81 -0.94 0.37 114.58 120.32 3kcq h GLU 19 Ca 0.40 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3kcq h GLU 19 Cb 0.44 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.69 3kcq h GLU 19 CO -0.28 0.45 0.59 0.00 -0.73 0.00 0.00 179.01 179.04 3kcq h ALA 20 N 1.00 1.29 0.00 2.92 0.00 -1.07 -0.14 119.26 123.26 3kcq h ALA 20 Ca 0.11 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kcq h ALA 20 Cb 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3kcq h ALA 20 CO -0.01 0.64 -0.00 -0.07 0.00 0.00 0.00 179.25 179.80 3kcq h LEU 21 N 1.27 -0.00 -0.30 0.00 3.38 -0.78 -2.05 115.31 116.84 3kcq h LEU 21 Ca 0.34 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.96 3kcq h LEU 21 Cb -0.10 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 3kcq h LEU 21 CO -0.07 0.41 -0.09 0.00 0.09 0.00 0.00 178.44 178.78 3kcq h ALA 22 N 0.59 0.18 -0.69 1.53 0.00 0.04 -1.96 119.26 118.96 3kcq h ALA 22 Ca -0.00 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3kcq h ALA 22 Cb 0.41 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3kcq h ALA 22 CO 0.00 -0.48 0.45 1.57 0.00 0.00 0.00 179.25 180.79 3kcq h LYS 23 N -0.02 0.88 -0.14 0.00 -0.00 -1.05 -2.47 116.57 113.77 3kcq h LYS 23 Ca 0.15 -0.05 -0.05 0.00 -0.00 0.00 0.00 60.65 60.69 3kcq h LYS 23 Cb 0.24 -0.20 -0.01 0.00 -0.00 0.00 0.00 32.23 32.26 3kcq h LYS 23 CO -0.32 0.58 -0.16 0.00 -0.00 0.00 0.00 179.45 179.56 3kcq h ALA 24 N 1.26 1.48 -0.37 0.07 0.00 -0.79 -3.23 119.26 117.69 3kcq h ALA 24 Ca 0.26 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3kcq h ALA 24 Cb -0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3kcq h ALA 24 CO -0.07 0.37 0.03 1.19 0.00 0.00 0.00 179.25 180.77 3kcq n PHE 25 N -4.25 1.28 -0.02 0.00 3.72 -0.79 -4.50 117.46 112.89 3kcq n PHE 25 Ca -0.01 -1.03 -0.15 0.00 -0.05 0.00 0.00 57.45 56.21 3kcq n PHE 25 Cb 0.28 -0.42 -0.11 0.00 -0.94 0.00 0.00 39.48 38.30 3kcq n PHE 25 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3kcq h SER 26 N 1.95 0.29 0.00 4.37 0.02 -1.48 -3.46 113.55 115.24 3kcq h SER 26 Ca 0.08 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 3kcq h SER 26 Cb 1.66 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.11 3kcq h SER 26 CO 0.35 0.97 0.00 0.41 -1.14 0.00 0.00 176.83 177.42 3kcq n THR 27 N -4.48 0.00 -0.32 -2.27 -1.04 -1.26 -5.15 114.28 99.76 3kcq n THR 27 Ca -0.09 0.00 0.19 0.00 -2.04 0.00 0.00 64.05 62.11 3kcq n THR 27 Cb 0.50 0.00 0.38 0.00 -1.82 0.00 0.00 70.33 69.39 3kcq n THR 27 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3kcq h SER 31 N 0.00 -0.09 -2.90 8.00 4.64 -1.96 -3.53 113.55 117.72 3kcq h SER 31 Ca 0.00 0.25 -0.64 0.00 -0.47 0.00 0.00 61.79 60.92 3kcq h SER 31 Cb 0.00 0.35 -0.09 0.00 -0.31 0.00 0.00 62.40 62.35 3kcq h SER 31 CO 0.00 -0.31 -0.49 -0.69 -0.87 0.00 0.00 176.83 174.47 3kcq s VAL 32 N -5.84 5.42 -0.14 0.95 1.01 -1.26 -2.93 120.40 117.60 3kcq s VAL 32 Ca -0.12 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.07 3kcq s VAL 32 Cb 0.30 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 33.29 3kcq s VAL 32 CO 0.78 0.55 -0.22 -0.69 0.00 0.00 0.00 175.10 175.52 3kcq s VAL 33 N -0.50 2.06 -0.65 2.92 1.01 -0.62 -4.85 120.40 119.77 3kcq s VAL 33 Ca 0.12 -0.98 -0.27 0.00 0.00 0.00 0.00 61.98 60.86 3kcq s VAL 33 Cb -0.12 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.48 3kcq s VAL 33 CO 0.02 0.55 1.18 -0.63 0.00 0.00 0.00 175.10 176.22 3kcq s ILE 34 N 0.82 3.96 -0.10 2.22 1.01 -1.26 -0.88 121.20 126.97 3kcq s ILE 34 Ca -0.07 0.53 0.14 0.00 0.00 0.00 0.00 60.65 61.25 3kcq s ILE 34 Cb -0.15 -4.78 -0.02 0.00 0.01 0.00 0.00 42.46 37.51 3kcq s ILE 34 CO -0.02 -1.54 1.29 0.28 0.00 0.00 0.00 174.94 174.95 3kcq h SER 35 N 9.72 0.00 -4.98 3.58 0.02 -1.24 -3.47 113.55 117.18 3kcq h SER 35 Ca -0.27 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 3kcq h SER 35 Cb 1.06 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.47 3kcq h SER 35 CO 1.21 0.60 0.22 0.00 -1.14 0.00 0.00 176.83 177.73 3kcq s VAL 37 N -3.66 1.21 -0.05 0.00 1.01 -0.87 -1.66 120.40 116.38 3kcq s VAL 37 Ca 0.01 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3kcq s VAL 37 Cb -0.01 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.38 3kcq s VAL 37 CO -0.12 0.34 -0.05 -0.63 0.00 0.00 0.00 175.10 174.64 3kcq s ILE 38 N -0.35 0.60 0.06 2.22 1.01 -0.49 -2.14 121.20 122.10 3kcq s ILE 38 Ca 0.06 -0.15 0.08 0.00 0.00 0.00 0.00 60.65 60.64 3kcq s ILE 38 Cb -0.06 -0.61 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 3kcq s ILE 38 CO -0.01 0.24 -0.23 -0.55 0.00 0.00 0.00 174.94 174.39 3kcq s SER 39 N 0.94 2.79 -0.03 3.58 0.15 -0.53 -0.73 113.70 119.87 3kcq s SER 39 Ca -0.11 -0.59 0.20 0.00 0.70 0.00 0.00 55.95 56.16 3kcq s SER 39 Cb -0.14 -0.22 0.64 0.00 -1.71 0.00 0.00 66.02 64.58 3kcq s SER 39 CO 0.00 0.18 1.53 -0.46 1.20 0.00 0.00 173.24 175.70 3kcq n ASN 40 N 1.63 3.96 -3.82 5.45 6.94 -1.21 -0.95 115.26 127.26 3kcq n ASN 40 Ca -0.17 -2.13 -0.26 0.00 -0.02 0.00 0.00 54.58 52.00 3kcq n ASN 40 Cb 0.53 -0.49 -0.17 0.00 -2.36 0.00 0.00 39.78 37.28 3kcq n ASN 40 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3kcq s ASN 41 N -0.96 2.34 0.00 0.53 3.84 -1.26 -4.38 114.94 115.05 3kcq s ASN 41 Ca 0.47 -0.45 0.07 0.00 0.21 0.00 0.00 52.86 53.16 3kcq s ASN 41 Cb 0.26 -0.67 0.34 0.00 -0.55 0.00 0.00 41.25 40.63 3kcq s ASN 41 CO 0.29 -0.21 1.08 0.00 -2.79 0.00 0.00 177.10 175.48 3kcq n ALA 42 N 5.02 1.48 0.94 1.71 0.00 -1.26 -2.63 120.51 125.77 3kcq n ALA 42 Ca -0.10 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.42 3kcq n ALA 42 Cb 0.49 -1.11 0.05 0.00 0.00 0.00 0.00 19.45 18.88 3kcq n ALA 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kcq n GLU 43 N -1.30 1.80 -2.19 0.00 4.07 -1.26 -4.98 120.64 116.78 3kcq n GLU 43 Ca 0.03 -1.49 -0.43 0.00 -0.06 0.00 0.00 57.16 55.21 3kcq n GLU 43 Cb 0.06 -1.43 -0.02 0.00 -0.06 0.00 0.00 31.44 29.98 3kcq n GLU 43 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kcq s ALA 44 N -2.07 3.49 0.41 4.31 0.00 -1.08 -4.88 121.76 121.93 3kcq s ALA 44 Ca 0.23 0.57 0.08 0.00 0.00 0.00 0.00 51.96 52.84 3kcq s ALA 44 Cb 0.18 -3.75 0.85 0.00 0.00 0.00 0.00 23.12 20.40 3kcq s ALA 44 CO 0.38 -1.56 2.00 0.00 0.00 0.00 0.00 175.76 176.59 3kcq h ARG 45 N 9.56 0.40 -0.39 0.00 3.08 -1.63 -2.23 114.38 123.17 3kcq h ARG 45 Ca -0.33 -0.05 0.11 0.00 0.07 0.00 0.00 59.98 59.79 3kcq h ARG 45 Cb 1.14 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 3kcq h ARG 45 CO 0.98 0.35 0.58 0.78 -1.07 0.00 0.00 179.97 181.59 3kcq h GLY 46 N 0.57 0.00 1.01 0.04 0.00 -0.81 0.10 103.07 103.99 3kcq h GLY 46 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 3kcq h GLY 46 CO -0.01 0.00 0.40 1.41 0.00 0.00 0.00 176.54 178.34 3kcq h LEU 47 N 0.00 0.95 -0.83 3.11 3.38 -1.66 -1.14 115.31 119.12 3kcq h LEU 47 Ca 0.19 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 3kcq h LEU 47 Cb 1.34 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 3kcq h LEU 47 CO -0.00 0.79 -0.56 -0.07 0.09 0.00 0.00 178.44 178.68 3kcq h LEU 48 N 1.04 0.00 -0.15 1.67 3.38 -0.98 -1.04 115.31 119.23 3kcq h LEU 48 Ca 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 3kcq h LEU 48 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3kcq h LEU 48 CO -0.04 0.56 0.01 0.40 0.09 0.00 0.00 178.44 179.47 3kcq h ILE 49 N 0.00 1.24 -0.49 1.22 1.08 -1.36 -2.27 117.51 116.93 3kcq h ILE 49 Ca -0.01 -0.77 -0.01 0.00 -0.39 0.00 0.00 64.86 63.69 3kcq h ILE 49 Cb 1.03 1.46 -0.02 0.00 -3.07 0.00 0.00 36.82 36.22 3kcq h ILE 49 CO 0.07 0.23 0.28 0.00 -0.69 0.00 0.00 178.15 178.04 3kcq h ALA 50 N 0.79 0.62 0.00 1.87 0.00 -1.02 -1.65 119.26 119.86 3kcq h ALA 50 Ca 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3kcq h ALA 50 Cb 0.34 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kcq h ALA 50 CO 0.01 0.12 -0.14 1.96 0.00 0.00 0.00 179.25 181.19 3kcq h GLN 51 N 0.64 0.00 0.00 0.00 4.20 -1.12 -1.14 115.11 117.69 3kcq h GLN 51 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3kcq h GLN 51 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3kcq h GLN 51 CO -0.03 0.14 0.00 -1.13 -0.67 0.00 0.00 178.83 177.14 3kcq n SER 52 N -4.29 0.65 -1.14 1.46 3.41 -0.65 -2.73 113.62 110.33 3kcq n SER 52 Ca -0.03 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.27 3kcq n SER 52 Cb 0.21 -0.74 0.26 0.00 -0.26 0.00 0.00 64.21 63.68 3kcq n SER 52 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3kcq n TYR 53 N -2.12 0.60 -1.00 7.33 4.02 -0.48 -4.97 117.16 120.54 3kcq n TYR 53 Ca 0.05 -0.30 -0.00 0.00 -0.01 0.00 0.00 57.90 57.64 3kcq n TYR 53 Cb 0.39 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.71 3kcq n TYR 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kcq n GLY 54 N 1.51 0.46 3.68 2.72 0.00 -1.10 -5.04 105.19 107.41 3kcq n GLY 54 Ca 0.20 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 3kcq n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kcq s ILE 55 N -2.00 5.05 0.35 -0.61 1.01 -0.91 -5.02 121.20 119.07 3kcq s ILE 55 Ca 0.00 1.19 -0.28 0.00 0.00 0.00 0.00 60.65 61.56 3kcq s ILE 55 Cb 0.00 -3.94 -0.11 0.00 0.01 0.00 0.00 42.46 38.42 3kcq s ILE 55 CO 0.00 0.17 1.43 -2.84 0.00 0.00 0.00 174.94 173.70 3kcq s PRO 56 N 1.50 4.20 0.16 2.79 0.02 -1.26 -4.15 135.00 138.26 3kcq s PRO 56 Ca 0.30 2.44 0.10 0.00 0.02 0.00 0.00 61.00 63.86 3kcq s PRO 56 Cb -0.16 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 3kcq s PRO 56 CO 0.12 -0.42 -0.22 0.95 -0.33 0.00 0.00 177.00 177.10 3kcq s THR 57 N -1.01 2.09 -0.09 0.99 -4.23 -1.26 -2.04 115.64 110.09 3kcq s THR 57 Ca 0.52 -1.89 -0.05 0.00 -1.18 0.00 0.00 61.69 59.09 3kcq s THR 57 Cb -0.44 -1.94 0.04 0.00 1.34 0.00 0.00 72.50 71.49 3kcq s THR 57 CO 0.58 -0.14 0.21 -0.36 -0.54 0.00 0.00 174.62 174.37 3kcq s PHE 58 N -1.63 -0.26 -0.04 3.99 0.08 -0.91 -5.00 117.98 114.21 3kcq s PHE 58 Ca 0.16 0.64 0.01 0.00 0.12 0.00 0.00 56.93 57.86 3kcq s PHE 58 Cb -0.08 0.03 -0.03 0.00 -0.57 0.00 0.00 43.02 42.37 3kcq s PHE 58 CO 0.08 -0.18 -0.03 0.08 -0.10 0.00 0.00 175.22 175.07 3kcq s VAL 59 N 0.87 3.99 0.01 -0.44 1.01 -1.26 -1.45 120.40 123.13 3kcq s VAL 59 Ca -0.06 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.42 3kcq s VAL 59 Cb -0.08 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 3kcq s VAL 59 CO -0.05 0.49 -0.06 -0.69 0.00 0.00 0.00 175.10 174.79 3kcq s VAL 60 N -0.96 0.44 0.50 2.92 1.01 -0.13 -4.96 120.40 119.22 3kcq s VAL 60 Ca 0.16 -0.45 -0.20 0.00 0.00 0.00 0.00 61.98 61.49 3kcq s VAL 60 Cb -0.11 -0.41 -0.08 0.00 0.00 0.00 0.00 36.38 35.78 3kcq s VAL 60 CO 0.06 -0.02 1.03 -1.59 0.00 0.00 0.00 175.10 174.58 3kcq s LYS 61 N -0.52 3.76 -0.25 2.72 -2.85 -1.26 -4.24 119.74 117.09 3kcq s LYS 61 Ca -0.01 1.31 -0.03 0.00 -1.00 0.00 0.00 55.97 56.24 3kcq s LYS 61 Cb -0.04 -2.09 -0.15 0.00 -2.06 0.00 0.00 37.83 33.49 3kcq s LYS 61 CO -0.00 -0.46 -0.26 -2.13 0.10 0.00 0.00 175.35 172.61 3kcq n ARG 62 N -1.11 0.60 -3.75 1.78 0.63 -1.26 -1.87 116.66 111.68 3kcq n ARG 62 Ca 0.09 0.18 -0.37 0.00 -0.92 0.00 0.00 57.85 56.82 3kcq n ARG 62 Cb 0.53 -1.48 -0.12 0.00 0.45 0.00 0.00 32.46 31.84 3kcq n ARG 62 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3kcq s LYS 63 N -2.49 2.31 0.17 -0.14 -2.85 -1.26 -0.66 119.74 114.82 3kcq s LYS 63 Ca -0.35 -1.56 -0.14 0.00 -1.00 0.00 0.00 55.97 52.92 3kcq s LYS 63 Cb 0.10 -3.55 -0.07 0.00 -2.06 0.00 0.00 37.83 32.25 3kcq s LYS 63 CO 0.54 -0.92 0.57 -1.25 0.10 0.00 0.00 175.35 174.39 3kcq s PRO 64 N 1.27 3.99 -0.05 1.78 0.04 -1.26 -5.04 135.00 135.73 3kcq s PRO 64 Ca 0.03 0.52 -0.39 0.00 0.04 0.00 0.00 61.00 61.20 3kcq s PRO 64 Cb -0.22 -2.89 -0.18 0.00 0.04 0.00 0.00 34.50 31.25 3kcq s PRO 64 CO -0.01 0.45 1.32 -0.11 0.04 0.00 0.00 177.00 178.68 3kcq n LEU 65 N 0.68 1.10 -3.72 -3.56 7.94 0.17 -4.80 117.00 114.81 3kcq n LEU 65 Ca -0.04 1.14 -0.42 0.00 -1.11 0.00 0.00 56.01 55.57 3kcq n LEU 65 Cb 0.52 -1.06 -0.00 0.00 0.53 0.00 0.00 43.42 43.41 3kcq n LEU 65 CO 0.43 -1.26 2.65 -0.67 -1.11 0.00 0.00 177.39 177.43 3kcq n ASP 66 N 2.64 4.19 0.28 1.96 -0.08 -0.78 -4.75 116.55 120.00 3kcq n ASP 66 Ca 0.21 -2.85 0.17 0.00 -1.51 0.00 0.00 54.79 50.80 3kcq n ASP 66 Cb 0.12 -1.64 0.71 0.00 2.34 0.00 0.00 41.12 42.65 3kcq n ASP 66 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 3kcq h ILE 67 N 3.93 0.11 -0.04 5.18 2.10 -1.90 -1.93 117.51 124.96 3kcq h ILE 67 Ca 0.57 -0.54 -0.22 0.00 1.08 0.00 0.00 64.86 65.75 3kcq h ILE 67 Cb 0.62 1.49 0.00 0.00 -1.09 0.00 0.00 36.82 37.84 3kcq h ILE 67 CO 1.86 0.04 -0.87 -0.08 -1.08 0.00 0.00 178.15 178.02 3kcq h GLU 68 N 0.00 0.47 -0.39 2.19 4.22 -1.99 0.05 114.58 119.13 3kcq h GLU 68 Ca -0.00 -0.46 -0.03 0.00 0.08 0.00 0.00 59.36 58.96 3kcq h GLU 68 Cb 0.48 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3kcq h GLU 68 CO 0.00 1.10 0.14 1.25 -2.18 0.00 0.00 179.01 179.32 3kcq h HIS 69 N 0.29 0.61 -0.18 0.92 2.76 -1.77 -0.15 115.15 117.63 3kcq h HIS 69 Ca -0.07 -0.05 0.05 0.00 -2.20 0.00 0.00 60.37 58.10 3kcq h HIS 69 Cb 1.49 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 30.22 3kcq h HIS 69 CO 0.06 0.56 -0.14 0.82 -1.30 0.00 0.00 177.93 177.93 3kcq h ILE 70 N 0.48 0.60 -0.74 6.26 2.04 -1.31 -1.71 117.51 123.13 3kcq h ILE 70 Ca 0.13 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 3kcq h ILE 70 Cb 0.23 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3kcq h ILE 70 CO -0.01 0.00 0.38 0.28 0.00 0.00 0.00 178.15 178.81 3kcq h SER 71 N -0.15 0.93 -0.25 1.72 0.02 -0.67 -1.79 113.55 113.36 3kcq h SER 71 Ca 0.11 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3kcq h SER 71 Cb 0.31 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3kcq h SER 71 CO -0.27 0.76 0.07 0.74 -1.14 0.00 0.00 176.83 176.99 3kcq h THR 72 N 1.04 1.20 -0.63 -2.27 2.02 -0.60 0.31 112.91 113.97 3kcq h THR 72 Ca 0.26 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 3kcq h THR 72 Cb 0.06 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 3kcq h THR 72 CO -0.04 0.21 0.36 0.58 0.37 0.00 0.00 175.52 177.00 3kcq h VAL 73 N 0.23 1.20 -0.45 3.16 2.07 -1.04 0.81 116.25 122.22 3kcq h VAL 73 Ca 0.08 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 3kcq h VAL 73 Cb 0.25 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3kcq h VAL 73 CO -0.00 0.21 0.17 -0.07 0.02 0.00 0.00 177.57 177.90 3kcq h LEU 74 N 0.86 0.63 -0.26 2.57 3.38 -1.09 -2.01 115.31 119.40 3kcq h LEU 74 Ca 0.22 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3kcq h LEU 74 Cb 0.02 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3kcq h LEU 74 CO -0.04 0.64 0.13 -0.09 0.09 0.00 0.00 178.44 179.17 3kcq h ARG 75 N 0.59 0.37 0.00 1.13 2.43 -0.49 -2.49 114.38 115.92 3kcq h ARG 75 Ca 0.15 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3kcq h ARG 75 Cb 0.21 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3kcq h ARG 75 CO -0.01 0.35 0.00 0.93 -1.51 0.00 0.00 179.97 179.73 3kcq h GLU 76 N 0.29 0.00 -0.57 0.20 5.08 -0.75 -1.85 114.58 116.98 3kcq h GLU 76 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3kcq h GLU 76 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3kcq h GLU 76 CO -0.01 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.72 3kcq n HIS 77 N -3.07 1.69 -4.03 4.33 8.25 -0.77 -4.97 115.22 116.66 3kcq n HIS 77 Ca 0.00 -0.69 -0.31 0.00 -0.26 0.00 0.00 57.72 56.46 3kcq n HIS 77 Cb 0.27 -0.37 -0.00 0.00 1.12 0.00 0.00 29.99 31.01 3kcq n HIS 77 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3kcq n ASP 78 N 0.74 -3.04 -4.70 0.41 8.00 -0.70 -4.89 116.55 112.37 3kcq n ASP 78 Ca 0.26 -0.92 -0.42 0.00 0.71 0.00 0.00 54.79 54.42 3kcq n ASP 78 Cb 1.02 -3.28 -0.03 0.00 -0.02 0.00 0.00 41.12 38.81 3kcq n ASP 78 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kcq s VAL 79 N -3.46 3.68 -0.07 2.53 1.01 -0.96 -4.67 120.40 118.46 3kcq s VAL 79 Ca 0.51 1.13 0.14 0.00 0.00 0.00 0.00 61.98 63.77 3kcq s VAL 79 Cb -0.27 -3.73 -0.20 0.00 0.00 0.00 0.00 36.38 32.18 3kcq s VAL 79 CO 0.88 0.03 0.69 0.47 0.00 0.00 0.00 175.10 177.18 3kcq n ASP 80 N 4.79 0.84 -3.75 3.32 8.00 -0.16 -4.92 116.55 124.66 3kcq n ASP 80 Ca 0.12 0.39 -0.16 0.00 0.71 0.00 0.00 54.79 55.85 3kcq n ASP 80 Cb 0.44 0.04 -0.16 0.00 -0.02 0.00 0.00 41.12 41.42 3kcq n ASP 80 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3kcq s LEU 81 N -5.97 0.88 -0.24 0.64 2.96 -0.85 -4.86 118.68 111.24 3kcq s LEU 81 Ca -0.04 0.07 -0.10 0.00 -0.22 0.00 0.00 54.13 53.84 3kcq s LEU 81 Cb 0.08 -0.04 -0.05 0.00 0.50 0.00 0.00 46.19 46.68 3kcq s LEU 81 CO 0.82 -0.15 0.15 -0.69 -1.32 0.00 0.00 176.35 175.16 3kcq s VAL 82 N 1.28 5.25 -0.22 1.68 1.01 0.24 -1.52 120.40 128.11 3kcq s VAL 82 Ca -0.07 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 3kcq s VAL 82 Cb -0.13 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.82 3kcq s VAL 82 CO -0.03 0.35 -0.08 0.00 0.00 0.00 0.00 175.10 175.34 3kcq s LEU 84 N 1.37 4.23 -0.44 0.00 1.43 -0.61 -0.79 118.68 123.88 3kcq s LEU 84 Ca 0.03 0.82 0.06 0.00 -1.03 0.00 0.00 54.13 54.02 3kcq s LEU 84 Cb -0.15 -2.77 0.22 0.00 0.03 0.00 0.00 46.19 43.52 3kcq s LEU 84 CO -0.06 -0.09 0.49 0.00 0.23 0.00 0.00 176.35 176.92 3kcq n ALA 85 N 4.15 2.79 -1.39 4.21 0.00 -0.52 -3.55 120.51 126.20 3kcq n ALA 85 Ca -0.05 -3.53 -0.01 0.00 0.00 0.00 0.00 53.44 49.86 3kcq n ALA 85 Cb 0.51 -0.81 -0.00 0.00 0.00 0.00 0.00 19.45 19.14 3kcq n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcq n GLY 86 N 1.80 0.40 3.69 0.00 0.00 -1.26 -4.47 105.19 105.35 3kcq n GLY 86 Ca 0.25 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 3kcq n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kcq s PHE 87 N -2.03 2.89 -0.76 1.61 5.36 -1.25 -3.06 117.98 120.74 3kcq s PHE 87 Ca 0.00 0.82 -0.01 0.00 -0.96 0.00 0.00 56.93 56.78 3kcq s PHE 87 Cb 0.00 -3.68 0.19 0.00 -0.34 0.00 0.00 43.02 39.19 3kcq s PHE 87 CO 0.00 -2.50 0.60 -1.64 -1.46 0.00 0.00 175.22 170.22 3kcq s MET 88 N 2.22 2.87 -0.24 10.12 -1.94 -1.26 -4.93 119.30 126.13 3kcq s MET 88 Ca 0.64 -3.02 -0.27 0.00 -1.71 0.00 0.00 55.69 51.34 3kcq s MET 88 Cb -0.33 -3.78 0.13 0.00 2.01 0.00 0.00 34.83 32.87 3kcq s MET 88 CO 0.27 -1.23 1.06 -1.12 -0.01 0.00 0.00 175.02 173.99 3kcq s SER 89 N -0.08 -0.38 -0.57 3.03 0.01 -1.26 -5.07 113.70 109.38 3kcq s SER 89 Ca 0.23 0.63 -0.24 0.00 1.31 0.00 0.00 55.95 57.89 3kcq s SER 89 Cb -0.12 0.61 0.05 0.00 0.21 0.00 0.00 66.02 66.77 3kcq s SER 89 CO -0.09 -0.20 0.94 -0.63 0.41 0.00 0.00 173.24 173.67 3kcq s ILE 90 N -0.25 4.38 0.28 1.44 1.01 -1.26 -5.02 121.20 121.79 3kcq s ILE 90 Ca 0.02 0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.51 3kcq s ILE 90 Cb -0.03 -4.56 -0.13 0.00 0.01 0.00 0.00 42.46 37.75 3kcq s ILE 90 CO -0.05 -1.18 1.41 0.18 0.00 0.00 0.00 174.94 175.31 3kcq n LEU 91 N 7.49 3.50 -4.77 2.97 4.77 -1.26 -4.96 117.00 124.74 3kcq n LEU 91 Ca 0.00 1.16 -0.35 0.00 -0.03 0.00 0.00 56.01 56.80 3kcq n LEU 91 Cb 0.47 -1.48 0.01 0.00 -2.33 0.00 0.00 43.42 40.10 3kcq n LEU 91 CO 0.63 -0.35 0.79 -2.16 -1.33 0.00 0.00 177.39 174.97 3kcq s PRO 92 N -0.88 3.21 0.34 3.23 0.04 -1.26 -4.88 135.00 134.80 3kcq s PRO 92 Ca 0.63 1.65 0.14 0.00 0.04 0.00 0.00 61.00 63.46 3kcq s PRO 92 Cb -0.59 -1.98 1.07 0.00 0.04 0.00 0.00 34.50 33.04 3kcq s PRO 92 CO 0.53 -0.97 1.67 1.05 0.04 0.00 0.00 177.00 179.32 3kcq h GLU 93 N 1.02 0.33 -0.33 4.56 9.09 -1.98 -1.23 114.58 126.04 3kcq h GLU 93 Ca -0.50 -0.02 -0.08 0.00 0.05 0.00 0.00 59.36 58.82 3kcq h GLU 93 Cb 1.27 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 28.29 3kcq h GLU 93 CO 0.56 0.22 -0.09 -0.22 0.05 0.00 0.00 179.01 179.53 3kcq h LYS 94 N 0.34 0.64 -0.46 1.06 3.64 -1.99 0.87 116.57 120.68 3kcq h LYS 94 Ca 0.73 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.84 3kcq h LYS 94 Cb 1.64 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.40 3kcq h LYS 94 CO -0.60 0.82 0.23 0.35 -2.27 0.00 0.00 179.45 177.98 3kcq h PHE 95 N 0.42 0.65 -0.24 1.91 3.57 -1.62 0.43 116.94 122.06 3kcq h PHE 95 Ca 0.08 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 3kcq h PHE 95 Cb 0.59 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3kcq h PHE 95 CO 0.05 0.52 0.14 0.28 -2.23 0.00 0.00 178.31 177.06 3kcq h VAL 96 N 0.60 1.11 0.03 1.41 2.07 -1.34 -1.79 116.25 118.34 3kcq h VAL 96 Ca 0.16 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.42 3kcq h VAL 96 Cb 0.10 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 3kcq h VAL 96 CO -0.02 0.11 -0.36 0.74 0.02 0.00 0.00 177.57 178.05 3kcq h THR 97 N 0.29 0.24 -0.80 2.57 2.02 -0.68 -2.83 112.91 113.71 3kcq h THR 97 Ca 0.09 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.34 3kcq h THR 97 Cb 0.05 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 66.65 3kcq h THR 97 CO -0.01 0.00 0.52 0.44 0.37 0.00 0.00 175.52 176.84 3kcq h ASP 98 N -0.54 0.75 -0.85 4.18 3.32 -0.71 -2.45 116.42 120.12 3kcq h ASP 98 Ca 0.05 0.01 -0.48 0.00 0.02 0.00 0.00 57.03 56.63 3kcq h ASP 98 Cb 0.61 -0.15 -0.27 0.00 0.22 0.00 0.00 39.33 39.74 3kcq h ASP 98 CO -0.27 0.48 0.47 0.79 -1.72 0.00 0.00 179.24 178.99 3kcq n TRP 99 N -4.49 2.66 -1.91 4.55 7.02 -0.69 -5.02 117.44 119.56 3kcq n TRP 99 Ca 0.12 -2.04 -0.41 0.00 -1.02 0.00 0.00 57.50 54.15 3kcq n TRP 99 Cb 0.23 -0.92 -0.02 0.00 -2.42 0.00 0.00 31.31 28.18 3kcq n TRP 99 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 3kcq s HIS 100 N -3.40 2.92 0.00 -5.99 2.46 -0.92 -0.99 115.29 109.36 3kcq s HIS 100 Ca 0.56 0.87 0.00 0.00 0.47 0.00 0.00 55.06 56.96 3kcq s HIS 100 Cb 0.47 -3.94 0.00 0.00 -0.13 0.00 0.00 32.58 28.98 3kcq s HIS 100 CO 0.06 -3.15 0.00 0.72 -2.47 0.00 0.00 174.74 169.90 3kcq n HIS 101 N 2.49 0.00 -0.34 3.88 8.25 -1.26 -4.84 115.22 123.39 3kcq n HIS 101 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 3kcq n HIS 101 Cb 0.39 -0.89 0.00 0.00 1.12 0.00 0.00 29.99 30.60 3kcq n HIS 101 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kcq n LYS 102 N -1.41 0.46 -5.08 -0.41 5.02 -0.16 -5.01 118.16 111.58 3kcq n LYS 102 Ca 0.00 -0.68 -0.32 0.00 -2.02 0.00 0.00 58.31 55.29 3kcq n LYS 102 Cb 0.15 -0.83 -0.16 0.00 -0.02 0.00 0.00 35.03 34.17 3kcq n LYS 102 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kcq s ILE 103 N -0.28 2.41 0.30 -0.18 1.09 -1.13 -0.59 121.20 122.82 3kcq s ILE 103 Ca 0.00 -0.90 0.06 0.00 -1.10 0.00 0.00 60.65 58.71 3kcq s ILE 103 Cb 0.00 -1.95 -0.06 0.00 -1.06 0.00 0.00 42.46 39.39 3kcq s ILE 103 CO 0.00 0.55 -0.03 0.27 -0.10 0.00 0.00 174.94 175.64 3kcq s ILE 104 N 0.21 1.57 -0.02 2.92 -4.36 -0.40 -1.09 121.20 120.02 3kcq s ILE 104 Ca -0.13 -2.09 -0.11 0.00 -0.26 0.00 0.00 60.65 58.07 3kcq s ILE 104 Cb -0.16 -2.57 0.01 0.00 1.25 0.00 0.00 42.46 40.99 3kcq s ILE 104 CO 0.07 -0.21 0.23 0.21 0.24 0.00 0.00 174.94 175.47 3kcq s ASN 105 N -3.47 -0.11 -0.17 4.36 2.47 -0.56 -1.57 114.94 115.89 3kcq s ASN 105 Ca 0.32 0.02 -0.05 0.00 0.42 0.00 0.00 52.86 53.56 3kcq s ASN 105 Cb 0.05 0.30 -0.03 0.00 -1.45 0.00 0.00 41.25 40.12 3kcq s ASN 105 CO 0.13 -0.36 -0.00 -0.51 -3.72 0.00 0.00 177.10 172.64 3kcq s ILE 106 N -1.14 4.13 -0.05 -5.21 1.10 -1.23 -1.84 121.20 116.96 3kcq s ILE 106 Ca -0.12 -0.27 0.04 0.00 -0.51 0.00 0.00 60.65 59.79 3kcq s ILE 106 Cb -0.06 -2.84 0.00 0.00 0.15 0.00 0.00 42.46 39.71 3kcq s ILE 106 CO 0.03 0.47 -0.16 -2.28 -2.11 0.00 0.00 174.94 170.88 3kcq s HIS 107 N 0.51 1.69 -0.75 3.50 5.65 -0.11 -4.83 115.29 120.96 3kcq s HIS 107 Ca -0.01 -0.53 -0.06 0.00 0.25 0.00 0.00 55.06 54.71 3kcq s HIS 107 Cb -0.14 -1.16 -0.02 0.00 -1.18 0.00 0.00 32.58 30.09 3kcq s HIS 107 CO 0.02 -0.20 2.89 -0.35 -0.65 0.00 0.00 174.74 176.45 3kcq n PRO 108 N 3.31 3.08 -3.80 2.88 -0.04 -1.26 -0.80 135.00 138.36 3kcq n PRO 108 Ca -0.19 -2.32 -0.08 0.00 -0.04 0.00 0.00 63.50 60.87 3kcq n PRO 108 Cb 0.53 -2.33 -0.02 0.00 -0.04 0.00 0.00 33.50 31.63 3kcq n PRO 108 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3kcq s SER 109 N 0.98 -0.30 -1.04 3.54 1.04 -0.29 -4.09 113.70 113.54 3kcq s SER 109 Ca 0.61 -0.54 -0.20 0.00 0.48 0.00 0.00 55.95 56.30 3kcq s SER 109 Cb 0.29 0.70 0.09 0.00 0.10 0.00 0.00 66.02 67.20 3kcq s SER 109 CO -0.12 -1.29 1.38 -0.76 0.98 0.00 0.00 173.24 173.44 3kcq s LEU 110 N -2.90 4.15 0.64 2.42 1.43 -1.25 -2.63 118.68 120.55 3kcq s LEU 110 Ca 0.10 -1.88 -0.18 0.00 -1.03 0.00 0.00 54.13 51.15 3kcq s LEU 110 Cb -0.05 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 3kcq s LEU 110 CO 0.04 -1.27 1.17 0.18 0.23 0.00 0.00 176.35 176.70 3kcq n LEU 111 N 7.84 5.16 -0.14 1.79 4.77 -1.26 -2.37 117.00 132.78 3kcq n LEU 111 Ca 0.32 0.81 0.12 0.00 -0.03 0.00 0.00 56.01 57.23 3kcq n LEU 111 Cb 0.49 -1.49 0.62 0.00 -2.33 0.00 0.00 43.42 40.71 3kcq n LEU 111 CO 0.62 -1.35 0.91 -0.81 -1.33 0.00 0.00 177.39 175.43 3kcq n PRO 112 N -1.64 1.18 -2.47 3.23 -0.04 -1.26 -5.10 135.00 128.91 3kcq n PRO 112 Ca 0.15 -0.27 -0.35 0.00 -0.04 0.00 0.00 63.50 62.99 3kcq n PRO 112 Cb 0.48 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.53 3kcq n PRO 112 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3kcq s SER 113 N -1.73 6.34 -1.01 3.54 1.04 -1.00 -4.26 113.70 116.62 3kcq s SER 113 Ca 0.35 2.04 -0.11 0.00 0.48 0.00 0.00 55.95 58.71 3kcq s SER 113 Cb 0.17 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.68 3kcq s SER 113 CO 0.27 -0.79 0.81 0.49 0.98 0.00 0.00 173.24 175.00 3kcq n PHE 114 N -0.72 -2.30 -2.34 5.02 3.72 -1.26 -4.54 117.46 115.04 3kcq n PHE 114 Ca 0.08 0.74 -0.33 0.00 -0.05 0.00 0.00 57.45 57.89 3kcq n PHE 114 Cb 0.51 -3.74 -0.02 0.00 -0.94 0.00 0.00 39.48 35.29 3kcq n PHE 114 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3kcq s LYS 115 N -4.84 3.67 0.43 -1.08 1.02 -1.26 -4.72 119.74 112.96 3kcq s LYS 115 Ca 0.35 1.20 0.00 0.00 0.02 0.00 0.00 55.97 57.55 3kcq s LYS 115 Cb -0.09 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.14 3kcq s LYS 115 CO 0.80 -0.52 0.00 0.41 -0.92 0.00 0.00 175.35 175.12 3kcq n GLY 116 N -0.82 -1.82 3.77 -3.33 0.00 -1.26 -4.91 105.19 96.81 3kcq n GLY 116 Ca 0.08 -1.86 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 3kcq n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kcq s LEU 117 N 0.00 3.95 -1.19 0.99 1.43 -1.26 -3.99 118.68 118.61 3kcq s LEU 117 Ca 0.00 2.28 -0.07 0.00 -1.03 0.00 0.00 54.13 55.32 3kcq s LEU 117 Cb 0.00 -4.32 0.01 0.00 0.03 0.00 0.00 46.19 41.91 3kcq s LEU 117 CO 0.00 -0.99 1.03 0.59 0.23 0.00 0.00 176.35 177.21 3kcq n ASN 118 N -0.67 -5.25 -0.30 2.29 3.02 -1.26 -4.89 115.26 108.20 3kcq n ASN 118 Ca 0.08 -0.50 0.13 0.00 -0.03 0.00 0.00 54.58 54.27 3kcq n ASN 118 Cb 0.49 -4.57 0.37 0.00 -0.61 0.00 0.00 39.78 35.45 3kcq n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kcq h ALA 119 N 0.89 1.82 -0.39 5.41 0.00 -1.85 -1.75 119.26 123.40 3kcq h ALA 119 Ca -0.51 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 3kcq h ALA 119 Cb 1.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3kcq h ALA 119 CO 0.49 -0.11 -0.33 1.96 0.00 0.00 0.00 179.25 181.27 3kcq h GLN 120 N 0.70 0.91 -0.78 0.00 7.50 -1.90 -2.22 115.11 119.31 3kcq h GLN 120 Ca 0.50 -0.46 0.01 0.00 0.50 0.00 0.00 58.65 59.20 3kcq h GLN 120 Cb 0.83 0.01 -0.04 0.00 0.05 0.00 0.00 27.48 28.33 3kcq h GLN 120 CO -0.26 1.11 0.51 1.49 -1.50 0.00 0.00 178.83 180.18 3kcq h GLU 121 N 0.72 1.01 -0.58 1.46 4.81 -1.66 -1.71 114.58 118.63 3kcq h GLU 121 Ca 0.07 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3kcq h GLU 121 Cb 0.91 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 3kcq h GLU 121 CO 0.08 0.67 0.29 1.96 -0.73 0.00 0.00 179.01 181.28 3kcq h GLN 122 N 1.04 0.83 -0.23 1.92 4.20 -0.86 -0.89 115.11 121.11 3kcq h GLN 122 Ca 0.29 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 3kcq h GLN 122 Cb -0.10 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 3kcq h GLN 122 CO -0.07 0.66 -0.01 0.00 -0.67 0.00 0.00 178.83 178.74 3kcq h ALA 123 N 1.12 0.31 -0.03 3.87 0.00 -1.32 -0.40 119.26 122.82 3kcq h ALA 123 Ca 0.20 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3kcq h ALA 123 Cb 0.10 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3kcq h ALA 123 CO -0.03 0.05 -0.25 -0.92 0.00 0.00 0.00 179.25 178.10 3kcq h TYR 124 N 0.18 -0.68 0.00 0.00 3.20 -1.13 -2.62 116.97 115.91 3kcq h TYR 124 Ca 0.06 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3kcq h TYR 124 Cb 0.42 0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.99 3kcq h TYR 124 CO 0.04 -0.34 0.00 0.87 -1.64 0.00 0.00 178.16 177.09 3kcq h LYS 125 N -0.38 0.00 0.00 1.82 1.79 -1.02 -2.45 116.57 116.34 3kcq h LYS 125 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3kcq h LYS 125 Cb 0.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 3kcq h LYS 125 CO -0.24 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.13 3kcq n ALA 126 N -2.01 2.27 -1.57 3.86 0.00 -0.17 -4.94 120.51 117.95 3kcq n ALA 126 Ca 0.02 -0.02 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3kcq n ALA 126 Cb 0.35 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 3kcq n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcq n GLY 127 N 1.28 0.63 3.72 0.00 0.00 -0.92 -5.02 105.19 104.89 3kcq n GLY 127 Ca 0.06 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 3kcq n GLY 127 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kcq s VAL 128 N -2.33 2.26 -0.88 1.61 -7.23 -1.21 -4.95 120.40 107.68 3kcq s VAL 128 Ca 0.00 0.13 0.19 0.00 -1.81 0.00 0.00 61.98 60.49 3kcq s VAL 128 Cb 0.00 -2.74 -0.22 0.00 0.56 0.00 0.00 36.38 33.99 3kcq s VAL 128 CO 0.00 -0.07 0.81 0.29 -0.31 0.00 0.00 175.10 175.83 3kcq n LYS 129 N -2.66 0.55 -4.29 4.82 4.01 -1.26 -4.81 118.16 114.52 3kcq n LYS 129 Ca 0.14 -0.01 -0.18 0.00 -0.51 0.00 0.00 58.31 57.74 3kcq n LYS 129 Cb 0.50 -1.42 -0.15 0.00 -0.51 0.00 0.00 35.03 33.45 3kcq n LYS 129 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3kcq s ILE 130 N -2.87 0.63 0.06 -0.18 -1.09 -1.26 -1.80 121.20 114.69 3kcq s ILE 130 Ca 0.07 -0.30 0.01 0.00 -2.23 0.00 0.00 60.65 58.19 3kcq s ILE 130 Cb 0.15 -0.55 -0.00 0.00 -1.58 0.00 0.00 42.46 40.47 3kcq s ILE 130 CO 0.80 0.19 0.04 0.00 -1.23 0.00 0.00 174.94 174.74 3kcq n ALA 131 N 3.14 0.11 0.00 9.38 0.00 0.10 -4.92 120.51 128.32 3kcq n ALA 131 Ca -0.16 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 52.95 3kcq n ALA 131 Cb 0.56 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.25 3kcq n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcq n GLY 132 N 0.83 -1.11 3.38 0.00 0.00 -1.26 -0.13 105.19 106.90 3kcq n GLY 132 Ca 0.00 -1.04 -0.19 0.00 0.00 0.00 0.00 46.02 44.79 3kcq n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcq s THR 134 N -3.24 0.08 -0.18 0.00 2.01 0.02 -2.01 115.64 112.32 3kcq s THR 134 Ca 0.29 0.27 -0.17 0.00 0.31 0.00 0.00 61.69 62.39 3kcq s THR 134 Cb 0.05 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 3kcq s THR 134 CO 0.11 0.19 0.46 -0.22 -0.69 0.00 0.00 174.62 174.46 3kcq s LEU 135 N 1.83 4.17 0.07 4.42 2.96 -0.29 -0.93 118.68 130.90 3kcq s LEU 135 Ca 0.01 0.63 -0.06 0.00 -0.22 0.00 0.00 54.13 54.50 3kcq s LEU 135 Cb -0.12 -2.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.93 3kcq s LEU 135 CO -0.03 -0.10 0.12 -1.38 -1.32 0.00 0.00 176.35 173.63 3kcq s HIS 136 N 1.30 0.26 0.38 5.38 -3.43 -0.77 0.67 115.29 119.08 3kcq s HIS 136 Ca 0.22 -0.70 -0.25 0.00 -0.80 0.00 0.00 55.06 53.53 3kcq s HIS 136 Cb -0.15 -0.16 -0.09 0.00 -1.43 0.00 0.00 32.58 30.75 3kcq s HIS 136 CO 0.09 -0.47 1.09 0.71 -2.00 0.00 0.00 174.74 174.16 3kcq s TYR 137 N -3.66 3.26 -0.36 0.38 2.02 -0.58 -1.50 117.35 116.91 3kcq s TYR 137 Ca 0.04 1.63 -0.22 0.00 -0.37 0.00 0.00 57.07 58.15 3kcq s TYR 137 Cb 0.05 -3.23 0.01 0.00 -0.40 0.00 0.00 41.96 38.38 3kcq s TYR 137 CO -0.10 -0.82 0.71 0.08 -1.57 0.00 0.00 175.55 173.85 3kcq s VAL 138 N -1.50 4.81 0.00 0.71 1.01 -0.25 -3.80 120.40 121.39 3kcq s VAL 138 Ca 0.55 0.71 0.00 0.00 0.00 0.00 0.00 61.98 63.25 3kcq s VAL 138 Cb -0.26 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 31.97 3kcq s VAL 138 CO 0.33 -0.38 0.00 -1.22 0.00 0.00 0.00 175.10 173.83 3kcq n TYR 139 N 6.22 -1.08 0.08 5.22 4.02 -1.26 -4.80 117.16 125.56 3kcq n TYR 139 Ca 0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.81 3kcq n TYR 139 Cb 0.48 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.73 3kcq n TYR 139 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3kcq h GLN 140 N 0.00 0.09 -6.29 -0.72 4.20 -1.96 -3.43 115.11 107.00 3kcq h GLN 140 Ca 0.00 -0.13 -0.55 0.00 0.06 0.00 0.00 58.65 58.02 3kcq h GLN 140 Cb 0.00 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 3kcq h GLN 140 CO 0.00 1.00 0.55 -1.21 -0.67 0.00 0.00 178.83 178.50 3kcq s GLU 141 N -2.88 4.44 0.14 1.46 2.02 -1.26 -4.97 118.70 117.65 3kcq s GLU 141 Ca -0.01 1.43 -0.35 0.00 0.02 0.00 0.00 54.97 56.07 3kcq s GLU 141 Cb 0.10 -3.53 -0.15 0.00 0.10 0.00 0.00 34.13 30.65 3kcq s GLU 141 CO 0.83 -0.28 1.45 -0.11 0.02 0.00 0.00 175.26 177.17 3kcq n LEU 142 N 4.82 2.47 -1.68 1.80 7.94 -1.26 -2.29 117.00 128.79 3kcq n LEU 142 Ca 0.09 1.10 -0.20 0.00 -1.11 0.00 0.00 56.01 55.89 3kcq n LEU 142 Cb 0.49 -1.33 -0.08 0.00 0.53 0.00 0.00 43.42 43.03 3kcq n LEU 142 CO 0.52 -0.64 -0.20 0.47 -1.11 0.00 0.00 177.39 176.43 3kcq n ASP 143 N 2.91 -5.35 0.00 1.96 8.00 -1.26 -4.83 116.55 117.98 3kcq n ASP 143 Ca 0.17 0.44 0.00 0.00 0.71 0.00 0.00 54.79 56.11 3kcq n ASP 143 Cb 0.25 -4.70 0.00 0.00 -0.02 0.00 0.00 41.12 36.65 3kcq n ASP 143 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kcq n ALA 144 N 0.88 2.30 -0.62 2.24 0.00 -0.97 -4.96 120.51 119.37 3kcq n ALA 144 Ca -0.21 -0.45 -0.29 0.00 0.00 0.00 0.00 53.44 52.49 3kcq n ALA 144 Cb 0.66 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.33 3kcq n ALA 144 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kcq s GLY 145 N -0.03 1.60 0.39 0.00 0.00 -1.25 -4.91 107.32 103.12 3kcq s GLY 145 Ca 0.00 0.14 -0.27 0.00 0.00 0.00 0.00 44.72 44.59 3kcq s GLY 145 CO 0.00 0.74 1.45 -4.14 0.00 0.00 0.00 173.10 171.15 3kcq s PRO 146 N -4.55 4.03 0.10 2.90 0.02 -1.26 -4.54 135.00 131.70 3kcq s PRO 146 Ca 0.68 2.49 -0.29 0.00 0.02 0.00 0.00 61.00 63.89 3kcq s PRO 146 Cb -0.24 -2.90 -0.06 0.00 0.02 0.00 0.00 34.50 31.32 3kcq s PRO 146 CO 0.62 -0.56 0.92 0.42 -0.33 0.00 0.00 177.00 178.07 3kcq s ILE 147 N -1.15 4.55 -0.23 2.83 1.01 -1.26 -1.53 121.20 125.43 3kcq s ILE 147 Ca 0.54 1.98 -0.16 0.00 0.00 0.00 0.00 60.65 63.01 3kcq s ILE 147 Cb -0.45 -4.28 -0.09 0.00 0.01 0.00 0.00 42.46 37.65 3kcq s ILE 147 CO 0.60 0.33 -0.34 -0.38 0.00 0.00 0.00 174.94 175.15 3kcq n ILE 148 N 2.80 1.51 -4.01 2.92 5.41 0.21 -4.26 119.36 123.95 3kcq n ILE 148 Ca 0.01 -0.12 -0.11 0.00 1.00 0.00 0.00 62.75 63.53 3kcq n ILE 148 Cb 0.49 -2.11 -0.12 0.00 -0.71 0.00 0.00 39.64 37.20 3kcq n ILE 148 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 3kcq s MET 149 N -2.68 0.36 0.01 0.38 -1.94 -0.99 -4.86 119.30 109.58 3kcq s MET 149 Ca -0.34 -0.59 0.01 0.00 -1.71 0.00 0.00 55.69 53.07 3kcq s MET 149 Cb 0.09 -0.06 -0.01 0.00 2.01 0.00 0.00 34.83 36.87 3kcq s MET 149 CO 0.46 -0.01 -0.04 -0.65 -0.01 0.00 0.00 175.02 174.77 3kcq s GLN 150 N -1.31 0.33 -0.06 2.03 -0.21 -0.74 -1.14 119.66 118.56 3kcq s GLN 150 Ca -0.12 -0.28 0.04 0.00 0.02 0.00 0.00 55.36 55.02 3kcq s GLN 150 Cb -0.09 -0.25 0.00 0.00 1.00 0.00 0.00 33.01 33.68 3kcq s GLN 150 CO -0.00 0.06 -0.17 0.00 -2.12 0.00 0.00 175.29 173.05 3kcq s ALA 151 N -0.42 1.59 0.15 6.09 0.00 -0.85 -1.16 121.76 127.15 3kcq s ALA 151 Ca -0.02 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.31 3kcq s ALA 151 Cb -0.04 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 3kcq s ALA 151 CO -0.00 0.25 0.04 0.00 0.00 0.00 0.00 175.76 176.05 3kcq s ALA 152 N 0.19 3.34 -0.06 0.00 0.00 -0.27 -1.63 121.76 123.32 3kcq s ALA 152 Ca -0.08 -1.26 -0.07 0.00 0.00 0.00 0.00 51.96 50.55 3kcq s ALA 152 Cb -0.13 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.85 3kcq s ALA 152 CO 0.03 0.54 0.18 0.08 0.00 0.00 0.00 175.76 176.59 3kcq s VAL 153 N -1.64 0.01 0.63 0.00 1.01 0.81 -1.69 120.40 119.53 3kcq s VAL 153 Ca 0.28 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.07 3kcq s VAL 153 Cb -0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 3kcq s VAL 153 CO 0.20 -0.05 1.04 -2.16 0.00 0.00 0.00 175.10 174.13 3kcq s PRO 154 N -0.09 3.52 -0.23 2.72 0.04 -1.26 0.03 135.00 139.72 3kcq s PRO 154 Ca -0.02 0.72 -0.03 0.00 0.04 0.00 0.00 61.00 61.71 3kcq s PRO 154 Cb -0.02 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.45 3kcq s PRO 154 CO 0.00 -0.62 -0.05 0.08 0.04 0.00 0.00 177.00 176.45 3kcq s VAL 155 N -3.20 3.17 0.32 -0.36 1.01 -0.74 -4.71 120.40 115.89 3kcq s VAL 155 Ca 0.55 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 3kcq s VAL 155 Cb -0.11 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 3kcq s VAL 155 CO 0.54 0.32 0.57 -0.76 0.00 0.00 0.00 175.10 175.77 3kcq s LEU 156 N 1.42 4.01 0.21 3.92 1.43 -1.26 -4.86 118.68 123.55 3kcq s LEU 156 Ca 0.04 0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 53.71 3kcq s LEU 156 Cb -0.15 -3.52 0.29 0.00 0.03 0.00 0.00 46.19 42.84 3kcq s LEU 156 CO -0.04 -0.25 1.70 0.08 0.23 0.00 0.00 176.35 178.07 3kcq h ARG 157 N 1.35 0.23 0.00 1.70 -0.00 -2.00 -2.24 114.38 113.43 3kcq h ARG 157 Ca -0.48 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.49 3kcq h ARG 157 Cb 1.20 -0.05 0.00 0.00 -0.00 0.00 0.00 29.97 31.11 3kcq h ARG 157 CO 0.65 0.16 0.00 -0.85 -0.00 0.00 0.00 179.97 179.92 3kcq n GLU 158 N -5.14 0.59 -2.27 0.08 0.28 -1.26 -4.93 120.64 107.99 3kcq n GLU 158 Ca 0.09 0.03 -0.37 0.00 -0.16 0.00 0.00 57.16 56.74 3kcq n GLU 158 Cb 0.32 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.68 3kcq n GLU 158 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3kcq s ASP 159 N -2.27 6.26 0.40 -1.84 1.01 -0.84 -5.07 116.67 114.32 3kcq s ASP 159 Ca 0.31 2.31 0.08 0.00 0.71 0.00 0.00 52.55 55.96 3kcq s ASP 159 Cb 0.17 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.47 3kcq s ASP 159 CO 0.33 -0.85 0.35 0.42 0.21 0.00 0.00 175.17 175.64 3kcq s THR 160 N -1.52 2.76 0.30 -1.27 -4.23 -1.26 -5.00 115.64 105.43 3kcq s THR 160 Ca 0.62 -1.37 0.06 0.00 -1.18 0.00 0.00 61.69 59.82 3kcq s THR 160 Cb -0.29 -3.02 0.29 0.00 1.34 0.00 0.00 72.50 70.82 3kcq s THR 160 CO 0.35 -0.03 1.71 0.00 -0.54 0.00 0.00 174.62 176.12 3kcq h ALA 161 N 1.08 1.57 0.00 3.99 0.00 -1.97 -2.21 119.26 121.72 3kcq h ALA 161 Ca -0.42 0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 3kcq h ALA 161 Cb 1.26 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 3kcq h ALA 161 CO 0.58 -0.30 -0.92 1.05 0.00 0.00 0.00 179.25 179.66 3kcq h GLU 162 N 0.49 0.00 -0.45 0.00 9.09 -1.96 -2.15 114.58 119.60 3kcq h GLU 162 Ca 0.59 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.99 3kcq h GLU 162 Cb 1.10 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.18 3kcq h GLU 162 CO -0.50 0.92 0.25 1.03 0.05 0.00 0.00 179.01 180.76 3kcq h SER 163 N 0.00 0.57 -0.31 3.06 0.87 -1.81 -2.40 113.55 113.53 3kcq h SER 163 Ca -0.01 -0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.41 3kcq h SER 163 Cb 1.71 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.52 3kcq h SER 163 CO 0.12 0.50 -0.01 0.25 -0.53 0.00 0.00 176.83 177.15 3kcq h LEU 164 N 0.60 0.54 -1.11 2.23 5.85 -1.41 -2.96 115.31 119.06 3kcq h LEU 164 Ca 0.16 -0.32 0.14 0.00 0.84 0.00 0.00 57.88 58.70 3kcq h LEU 164 Cb 0.05 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 40.86 3kcq h LEU 164 CO -0.03 0.73 0.61 0.00 -0.34 0.00 0.00 178.44 179.42 3kcq h ALA 165 N 0.83 1.65 -0.77 1.25 0.00 -1.32 0.78 119.26 121.69 3kcq h ALA 165 Ca 0.09 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3kcq h ALA 165 Cb 0.46 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3kcq h ALA 165 CO 0.02 0.09 0.30 0.77 0.00 0.00 0.00 179.25 180.43 3kcq h SER 166 N 0.86 1.06 -0.19 0.00 0.02 -1.27 0.34 113.55 114.38 3kcq h SER 166 Ca 0.49 -0.18 -0.19 0.00 -0.84 0.00 0.00 61.79 61.07 3kcq h SER 166 Cb 0.62 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.89 3kcq h SER 166 CO -0.26 0.95 -0.62 -0.09 -1.14 0.00 0.00 176.83 175.67 3kcq h ARG 167 N 1.11 0.76 0.43 3.45 2.43 -1.10 0.10 114.38 121.56 3kcq h ARG 167 Ca 0.25 -0.56 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 3kcq h ARG 167 Cb 0.22 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3kcq h ARG 167 CO -0.02 1.18 -0.27 0.82 -1.51 0.00 0.00 179.97 180.17 3kcq h ILE 168 N 0.48 0.43 -0.81 1.20 2.04 -0.77 -1.95 117.51 118.13 3kcq h ILE 168 Ca -0.02 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.03 3kcq h ILE 168 Cb 1.25 0.43 -0.12 0.00 -0.74 0.00 0.00 36.82 37.64 3kcq h ILE 168 CO 0.13 0.00 0.23 0.25 0.00 0.00 0.00 178.15 178.76 3kcq h LEU 169 N -0.68 0.05 -1.02 1.44 6.46 -0.25 0.27 115.31 121.58 3kcq h LEU 169 Ca -0.05 0.16 0.01 0.00 -0.12 0.00 0.00 57.88 57.89 3kcq h LEU 169 Cb 0.56 0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.65 3kcq h LEU 169 CO 0.04 -0.07 0.66 0.00 -0.62 0.00 0.00 178.44 178.45 3kcq h ALA 170 N 1.68 1.30 -0.39 1.25 0.00 -0.81 -2.21 119.26 120.09 3kcq h ALA 170 Ca 0.48 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 3kcq h ALA 170 Cb 0.89 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3kcq h ALA 170 CO -0.56 0.65 -0.18 0.00 0.00 0.00 0.00 179.25 179.16 3kcq h ALA 171 N 1.38 0.97 -0.61 0.00 0.00 0.24 -2.95 119.26 118.29 3kcq h ALA 171 Ca 0.37 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3kcq h ALA 171 Cb -0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3kcq h ALA 171 CO -0.08 0.61 0.34 0.93 0.00 0.00 0.00 179.25 181.04 3kcq h GLU 172 N 0.65 0.83 0.00 0.00 5.08 -0.44 -0.96 114.58 119.74 3kcq h GLU 172 Ca 0.10 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3kcq h GLU 172 Cb 0.66 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3kcq h GLU 172 CO 0.05 0.60 -0.08 0.45 -1.00 0.00 0.00 179.01 179.03 3kcq h HIS 173 N 0.84 0.00 0.09 4.33 3.86 -1.27 0.74 115.15 123.73 3kcq h HIS 173 Ca 0.22 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 59.16 3kcq h HIS 173 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 3kcq h HIS 173 CO 0.00 0.08 -1.43 0.28 0.86 0.00 0.00 177.93 177.72 3kcq h VAL 174 N 0.00 0.96 -0.32 2.45 2.07 -1.52 -3.40 116.25 116.49 3kcq h VAL 174 Ca -0.00 -2.33 -0.04 0.00 0.82 0.00 0.00 66.70 65.15 3kcq h VAL 174 Cb 0.19 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 3kcq h VAL 174 CO 0.01 0.64 0.06 0.00 0.02 0.00 0.00 177.57 178.30 3kcq h TYR 176 N 0.35 0.54 -0.00 0.00 5.03 -1.12 -1.56 116.97 120.22 3kcq h TYR 176 Ca 0.10 -0.12 -0.00 0.00 2.58 0.00 0.00 58.73 61.29 3kcq h TYR 176 Cb 0.33 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.47 3kcq h TYR 176 CO 0.02 0.70 -0.00 -1.35 -1.32 0.00 0.00 178.16 176.21 3kcq h PRO 177 N 0.23 0.01 -0.84 1.82 0.11 -1.78 -1.78 132.00 129.78 3kcq h PRO 177 Ca 0.06 -0.00 0.21 0.00 0.11 0.00 0.00 66.00 66.38 3kcq h PRO 177 Cb 0.53 -0.00 -0.13 0.00 0.11 0.00 0.00 31.00 31.51 3kcq h PRO 177 CO 0.02 0.43 0.24 -0.22 -0.21 0.00 0.00 178.00 178.27 3kcq h LYS 178 N -0.41 0.26 -0.61 1.05 3.64 -1.57 0.35 116.57 119.28 3kcq h LYS 178 Ca 0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3kcq h LYS 178 Cb 0.43 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 3kcq h LYS 178 CO 0.00 0.17 0.27 0.78 -2.27 0.00 0.00 179.45 178.41 3kcq h GLY 179 N 0.27 0.95 0.92 5.01 0.00 -1.10 -2.37 103.07 106.75 3kcq h GLY 179 Ca 0.51 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 3kcq h GLY 179 CO -0.59 0.46 -0.18 -2.08 0.00 0.00 0.00 176.54 174.16 3kcq h VAL 180 N 0.84 1.30 -0.83 4.60 2.07 0.04 -2.39 116.25 121.87 3kcq h VAL 180 Ca 0.21 -1.31 0.21 0.00 0.82 0.00 0.00 66.70 66.63 3kcq h VAL 180 Cb 0.15 1.51 -0.14 0.00 -1.52 0.00 0.00 31.29 31.28 3kcq h VAL 180 CO -0.02 0.42 0.08 0.11 0.02 0.00 0.00 177.57 178.18 3kcq h LYS 181 N 0.39 0.12 -0.28 1.57 1.57 -0.29 0.40 116.57 120.05 3kcq h LYS 181 Ca 0.06 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.66 3kcq h LYS 181 Cb 0.72 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 3kcq h LYS 181 CO 0.05 0.08 -0.50 -0.07 -0.57 0.00 0.00 179.45 178.44 3kcq h LEU 182 N 0.12 0.86 -0.40 2.94 3.38 -1.00 -1.71 115.31 119.50 3kcq h LEU 182 Ca 0.49 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3kcq h LEU 182 Cb 0.92 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3kcq h LEU 182 CO -0.70 1.20 0.15 0.40 0.09 0.00 0.00 178.44 179.58 3kcq h ILE 183 N 0.61 1.20 -0.08 1.22 2.04 -0.88 -1.77 117.51 119.85 3kcq h ILE 183 Ca 0.03 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.28 3kcq h ILE 183 Cb 1.08 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3kcq h ILE 183 CO 0.11 0.22 0.06 0.00 0.00 0.00 0.00 178.15 178.54 3kcq h ALA 184 N 1.00 2.03 -0.50 1.87 0.00 -0.70 -0.75 119.26 122.21 3kcq h ALA 184 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kcq h ALA 184 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kcq h ALA 184 CO -0.01 -0.04 0.00 1.04 0.00 0.00 0.00 179.25 180.24 3kcq n GLN 185 N -4.52 2.31 -3.18 0.00 6.02 -0.67 -4.89 117.38 112.45 3kcq n GLN 185 Ca -0.01 -1.85 -0.23 0.00 -0.01 0.00 0.00 57.00 54.89 3kcq n GLN 185 Cb 0.14 -1.45 0.05 0.00 1.02 0.00 0.00 30.24 29.99 3kcq n GLN 185 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3kcq n ASP 186 N 0.93 -6.15 0.01 1.08 2.03 -0.29 -4.89 116.55 109.27 3kcq n ASP 186 Ca 0.17 -0.36 0.11 0.00 0.52 0.00 0.00 54.79 55.23 3kcq n ASP 186 Cb 0.47 -4.94 -0.07 0.00 -0.72 0.00 0.00 41.12 35.86 3kcq n ASP 186 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3kcq n LYS 187 N -4.28 0.35 -3.35 -0.67 5.02 -0.69 -4.90 118.16 109.63 3kcq n LYS 187 Ca -0.08 -0.06 -0.38 0.00 -2.02 0.00 0.00 58.31 55.77 3kcq n LYS 187 Cb 0.60 -1.56 -0.07 0.00 -0.02 0.00 0.00 35.03 33.98 3kcq n LYS 187 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kcq s ILE 188 N -3.26 5.18 -0.04 -0.18 -1.09 -1.25 -1.44 121.20 119.13 3kcq s ILE 188 Ca 0.01 0.78 0.02 0.00 -2.23 0.00 0.00 60.65 59.23 3kcq s ILE 188 Cb 0.14 -3.76 0.01 0.00 -1.58 0.00 0.00 42.46 37.28 3kcq s ILE 188 CO 0.85 0.24 -0.09 -0.54 -1.23 0.00 0.00 174.94 174.18 3kcq s LYS 189 N 1.30 1.10 0.51 2.79 3.01 -0.71 -5.01 119.74 122.74 3kcq s LYS 189 Ca 0.21 -0.28 -0.17 0.00 -1.01 0.00 0.00 55.97 54.72 3kcq s LYS 189 Cb -0.15 -1.00 -0.08 0.00 -1.01 0.00 0.00 37.83 35.59 3kcq s LYS 189 CO 0.08 0.04 0.99 -0.51 0.51 0.00 0.00 175.35 176.47 3kcq s LEU 190 N 0.49 3.67 0.28 3.17 1.02 -1.26 -1.52 118.68 124.53 3kcq s LEU 190 Ca -0.08 1.64 0.11 0.00 0.02 0.00 0.00 54.13 55.83 3kcq s LEU 190 Cb -0.12 -4.52 -0.05 0.00 0.02 0.00 0.00 46.19 41.52 3kcq s LEU 190 CO 0.01 -0.65 -0.18 0.00 0.02 0.00 0.00 176.35 175.55 3kcq h ASP 192 N 2.27 0.01 0.00 0.00 3.45 -1.98 0.19 116.42 120.35 3kcq h ASP 192 Ca -0.40 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.06 3kcq h ASP 192 Cb 1.26 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.02 3kcq h ASP 192 CO 0.61 0.00 0.00 -0.90 -1.57 0.00 0.00 179.24 177.39 3kcq n ASP 193 N -4.41 0.00 0.00 6.45 5.75 -1.26 -4.88 116.55 118.20 3kcq n ASP 193 Ca 0.07 -0.91 0.00 0.00 -0.01 0.00 0.00 54.79 53.95 3kcq n ASP 193 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 3kcq n ASP 193 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kcq n GLY 194 N 0.68 0.88 3.95 6.12 0.00 0.67 -5.05 105.19 112.43 3kcq n GLY 194 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 3kcq n GLY 194 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kcq s THR 195 N -3.49 4.38 -0.12 2.61 -4.23 -1.26 -4.75 115.64 108.78 3kcq s THR 195 Ca 0.00 -0.48 -0.02 0.00 -1.18 0.00 0.00 61.69 60.01 3kcq s THR 195 Cb 0.00 -3.61 -0.03 0.00 1.34 0.00 0.00 72.50 70.20 3kcq s THR 195 CO 0.00 -0.42 -0.03 -0.69 -0.54 0.00 0.00 174.62 172.94 3kcq s VAL 196 N -2.47 3.98 0.09 2.29 1.01 -1.26 -1.31 120.40 122.73 3kcq s VAL 196 Ca 0.46 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 62.13 3kcq s VAL 196 Cb -0.10 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 3kcq s VAL 196 CO 0.37 0.54 -0.11 -1.10 0.00 0.00 0.00 175.10 174.81 3kcq s GLN 197 N -0.22 0.85 -0.19 2.72 -1.52 -0.57 -4.98 119.66 115.75 3kcq s GLN 197 Ca 0.04 -1.11 -0.06 0.00 -1.95 0.00 0.00 55.36 52.27 3kcq s GLN 197 Cb -0.13 -0.62 -0.03 0.00 -0.22 0.00 0.00 33.01 32.01 3kcq s GLN 197 CO 0.02 0.11 0.04 0.00 -0.25 0.00 0.00 175.29 175.21 3kcq n THR 199 N 3.88 0.00 -2.07 0.00 -2.24 -0.52 -4.90 114.28 108.44 3kcq n THR 199 Ca -0.17 -0.03 -0.01 0.00 -2.27 0.00 0.00 64.05 61.57 3kcq n THR 199 Cb 0.52 0.10 0.01 0.00 -2.10 0.00 0.00 70.33 68.85 3kcq n THR 199 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kcq n GLY 200 N 1.43 0.46 0.18 3.38 0.00 -1.26 -5.00 105.19 104.37 3kcq n GLY 200 Ca 0.08 -1.91 -0.03 0.00 0.00 0.00 0.00 46.02 44.16 3kcq n GLY 200 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kcq h GLU 201 N 0.00 0.19 -6.72 1.61 3.07 -2.01 -3.46 114.58 107.26 3kcq h GLU 201 Ca -0.02 -0.11 -0.57 0.00 -0.50 0.00 0.00 59.36 58.16 3kcq h GLU 201 Cb 0.07 0.01 0.10 0.00 -0.84 0.00 0.00 28.75 28.09 3kcq h GLU 201 CO 0.02 0.66 0.54 -0.25 -1.40 0.00 0.00 179.01 178.58 3kcq n ASP 202 N -3.93 2.79 -4.94 1.42 8.00 -1.26 -5.02 116.55 113.61 3kcq n ASP 202 Ca -0.02 1.19 -0.25 0.00 0.71 0.00 0.00 54.79 56.42 3kcq n ASP 202 Cb 0.55 -1.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.15 3kcq n ASP 202 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3kcq s GLU 203 N -1.58 3.48 -0.11 -1.24 0.41 -1.26 -4.87 118.70 113.53 3kcq s GLU 203 Ca 0.58 -0.50 0.13 0.00 -0.41 0.00 0.00 54.97 54.77 3kcq s GLU 203 Cb -0.58 -2.86 0.56 0.00 -1.78 0.00 0.00 34.13 29.47 3kcq s GLU 203 CO 0.60 0.41 1.42 1.28 -0.49 0.00 0.00 175.26 178.47 3kcq n LEU 204 N -0.93 3.94 -4.37 1.80 4.77 -1.26 -4.90 117.00 116.05 3kcq n LEU 204 Ca -0.06 -1.99 -0.27 0.00 -0.03 0.00 0.00 56.01 53.66 3kcq n LEU 204 Cb 0.55 -0.54 -0.13 0.00 -2.33 0.00 0.00 43.42 40.97 3kcq n LEU 204 CO 0.48 0.60 -0.54 0.72 -1.33 0.00 0.00 177.39 177.32 3kcq s PHE 205 N -1.93 2.16 -0.00 -1.77 -0.12 -1.26 -1.78 117.98 113.28 3kcq s PHE 205 Ca 0.39 -0.39 0.02 0.00 -0.05 0.00 0.00 56.93 56.90 3kcq s PHE 205 Cb 0.27 -1.14 -0.01 0.00 -0.63 0.00 0.00 43.02 41.50 3kcq s PHE 205 CO 0.17 0.34 -0.07 -0.51 -0.05 0.00 0.00 175.22 175.10 3kcq s LEU 206 N -2.18 2.03 -0.25 -1.99 1.43 -0.31 -4.97 118.68 112.44 3kcq s LEU 206 Ca 0.14 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 53.06 3kcq s LEU 206 Cb -0.09 -0.33 0.03 0.00 0.03 0.00 0.00 46.19 45.83 3kcq s LEU 206 CO 0.06 0.06 -0.05 -0.36 0.23 0.00 0.00 176.35 176.29 3kcq s PHE 207 N -0.26 3.08 -0.20 0.29 0.08 -1.26 -1.12 117.98 118.59 3kcq s PHE 207 Ca 0.02 -1.56 -0.06 0.00 0.12 0.00 0.00 56.93 55.44 3kcq s PHE 207 Cb -0.03 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.32 3kcq s PHE 207 CO -0.00 -0.73 0.04 -0.65 -0.10 0.00 0.00 175.22 173.78 3kcq s GLN 208 N 1.32 3.75 0.00 0.44 -1.52 -0.68 -4.98 119.66 118.00 3kcq s GLN 208 Ca -0.00 -0.45 0.00 0.00 -1.95 0.00 0.00 55.36 52.96 3kcq s GLN 208 Cb -0.17 -3.18 0.00 0.00 -0.22 0.00 0.00 33.01 29.44 3kcq s GLN 208 CO -0.04 0.06 0.51 0.39 -0.25 0.00 0.00 175.29 175.96