#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 -2.64 -1.58 4.07 -1.00 -5.04 120.64 114.46 3kcq n GLU 4 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.67 3kcq n GLU 4 Cb 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.36 3kcq n GLU 4 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 3kcq s LEU 5 N -4.30 4.14 -0.26 4.31 2.96 -1.10 -4.97 118.68 119.46 3kcq s LEU 5 Ca 0.00 1.45 -0.10 0.00 -0.22 0.00 0.00 54.13 55.26 3kcq s LEU 5 Cb 0.00 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 3kcq s LEU 5 CO 0.00 -0.64 0.15 -0.13 -1.32 0.00 0.00 176.35 174.41 3kcq s ARG 6 N 3.00 3.91 -0.04 1.98 1.81 -1.26 -1.23 118.95 127.12 3kcq s ARG 6 Ca 0.46 -0.35 0.01 0.00 -1.72 0.00 0.00 55.73 54.13 3kcq s ARG 6 Cb -0.16 -3.53 -0.03 0.00 -0.45 0.00 0.00 34.95 30.77 3kcq s ARG 6 CO 0.09 -0.10 -0.04 0.08 -0.68 0.00 0.00 175.30 174.65 3kcq s VAL 7 N 1.50 3.94 -0.12 3.52 1.01 0.10 -0.66 120.40 129.69 3kcq s VAL 7 Ca 0.07 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 3kcq s VAL 7 Cb -0.15 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 3kcq s VAL 7 CO 0.07 0.52 -0.11 -0.83 0.00 0.00 0.00 175.10 174.75 3kcq s GLY 8 N -1.10 1.58 -0.17 4.51 0.00 -0.68 -0.52 107.32 110.94 3kcq s GLY 8 Ca 0.15 -0.89 -0.01 0.00 0.00 0.00 0.00 44.72 43.97 3kcq s GLY 8 CO 0.05 -0.27 -0.11 0.14 0.00 0.00 0.00 173.10 172.91 3kcq s VAL 9 N 0.15 3.06 -0.23 1.40 1.01 -0.92 -0.12 120.40 124.75 3kcq s VAL 9 Ca -0.06 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 3kcq s VAL 9 Cb -0.15 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 3kcq s VAL 9 CO 0.04 0.49 0.15 -0.76 0.00 0.00 0.00 175.10 175.03 3kcq s LEU 10 N 0.84 4.11 0.14 3.92 1.02 -0.07 -1.00 118.68 127.64 3kcq s LEU 10 Ca -0.03 0.12 0.04 0.00 0.02 0.00 0.00 54.13 54.28 3kcq s LEU 10 Cb -0.15 -2.10 -0.04 0.00 0.02 0.00 0.00 46.19 43.92 3kcq s LEU 10 CO 0.00 0.08 -0.10 0.27 0.02 0.00 0.00 176.35 176.63 3kcq s ILE 11 N 0.96 1.10 0.00 -0.59 -4.36 0.80 -1.81 121.20 117.30 3kcq s ILE 11 Ca 0.07 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 3kcq s ILE 11 Cb -0.13 -1.81 0.00 0.00 1.25 0.00 0.00 42.46 41.77 3kcq s ILE 11 CO 0.04 -0.76 0.00 -1.20 0.24 0.00 0.00 174.94 173.26 3kcq n SER 12 N -0.15 0.15 0.00 4.36 7.64 -1.17 -3.02 113.62 121.43 3kcq n SER 12 Ca -0.11 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.53 3kcq n SER 12 Cb 0.60 0.53 0.00 0.00 -1.01 0.00 0.00 64.21 64.33 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 0.57 5.20 0.27 0.23 0.00 -1.26 -4.56 105.19 105.64 3kcq n GLY 13 Ca 0.00 -0.87 0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 -5.49 1.61 3.08 -1.92 -0.48 114.38 111.18 3kcq h ARG 14 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 3kcq h ARG 14 Cb 0.00 0.00 0.14 0.00 0.08 0.00 0.00 29.97 30.19 3kcq h ARG 14 CO 0.00 0.11 -0.66 0.41 -1.07 0.00 0.00 179.97 178.75 3kcq n GLY 15 N -0.74 -0.40 0.24 0.04 0.00 -1.26 -2.99 105.19 100.08 3kcq n GLY 15 Ca -0.02 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 3kcq n GLY 15 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kcq h SER 16 N -2.30 0.91 -0.57 1.61 4.64 -1.92 -1.91 113.55 114.00 3kcq h SER 16 Ca -0.54 -0.49 -0.09 0.00 -0.47 0.00 0.00 61.79 60.20 3kcq h SER 16 Cb 1.34 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 3kcq h SER 16 CO 0.51 1.22 0.04 0.78 -0.87 0.00 0.00 176.83 178.50 3kcq h ASN 17 N 0.61 0.98 -0.95 4.97 2.35 -1.92 -2.19 115.58 119.43 3kcq h ASN 17 Ca 0.04 -0.25 0.10 0.00 -0.55 0.00 0.00 56.30 55.63 3kcq h ASN 17 Cb 1.00 -0.26 -0.08 0.00 0.05 0.00 0.00 38.32 39.03 3kcq h ASN 17 CO 0.10 1.01 0.59 0.25 -1.65 0.00 0.00 177.43 177.73 3kcq h LEU 18 N 0.94 0.89 0.31 1.61 5.85 -1.86 -1.00 115.31 122.05 3kcq h LEU 18 Ca 0.18 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 3kcq h LEU 18 Cb 0.49 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3kcq h LEU 18 CO 0.02 0.51 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.40 3kcq h GLU 19 N 0.99 -0.40 -0.64 1.25 4.81 -1.05 0.25 114.58 119.79 3kcq h GLU 19 Ca 0.45 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.83 3kcq h GLU 19 Cb 0.36 0.09 -0.12 0.00 0.63 0.00 0.00 28.75 29.71 3kcq h GLU 19 CO -0.23 -0.12 -0.23 0.00 -0.73 0.00 0.00 179.01 177.70 3kcq h ALA 20 N -0.08 0.26 -0.89 2.92 0.00 -1.26 0.78 119.26 120.98 3kcq h ALA 20 Ca -0.04 0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3kcq h ALA 20 Cb 0.47 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 3kcq h ALA 20 CO 0.07 -0.52 0.58 -0.07 0.00 0.00 0.00 179.25 179.31 3kcq h LEU 21 N -0.06 0.95 -0.32 0.00 3.38 -0.63 -0.86 115.31 117.76 3kcq h LEU 21 Ca 0.29 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.07 3kcq h LEU 21 Cb 0.52 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3kcq h LEU 21 CO -0.69 0.64 -0.56 0.00 0.09 0.00 0.00 178.44 177.91 3kcq h ALA 22 N 1.38 0.49 -0.04 1.53 0.00 0.57 -2.85 119.26 120.33 3kcq h ALA 22 Ca 0.36 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kcq h ALA 22 Cb 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3kcq h ALA 22 CO -0.13 0.68 0.03 0.87 0.00 0.00 0.00 179.25 180.70 3kcq h LYS 23 N 0.63 0.06 -0.83 0.00 1.57 -0.69 -2.98 116.57 114.33 3kcq h LYS 23 Ca 0.01 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3kcq h LYS 23 Cb 1.17 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.41 3kcq h LYS 23 CO 0.12 0.06 0.54 0.00 -0.57 0.00 0.00 179.45 179.61 3kcq h ALA 24 N 0.99 1.59 -0.31 3.86 0.00 -1.13 -3.21 119.26 121.06 3kcq h ALA 24 Ca 0.02 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3kcq h ALA 24 Cb 0.02 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 3kcq h ALA 24 CO -0.00 0.29 -0.01 1.19 0.00 0.00 0.00 179.25 180.72 3kcq n PHE 25 N -4.48 1.02 -1.37 0.00 3.72 -1.08 -4.48 117.46 110.78 3kcq n PHE 25 Ca 0.12 -1.19 0.01 0.00 -0.05 0.00 0.00 57.45 56.34 3kcq n PHE 25 Cb 0.21 -0.39 0.21 0.00 -0.94 0.00 0.00 39.48 38.56 3kcq n PHE 25 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kcq n SER 26 N -0.80 2.56 0.00 4.37 3.41 -1.13 -4.78 113.62 117.24 3kcq n SER 26 Ca 0.27 -3.62 0.00 0.00 -0.26 0.00 0.00 58.87 55.26 3kcq n SER 26 Cb 0.96 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 3kcq n SER 26 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kcq n THR 27 N -1.06 0.00 0.00 6.66 -2.24 -1.26 -5.05 114.28 111.34 3kcq n THR 27 Ca 0.28 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 3kcq n THR 27 Cb 0.92 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 3kcq n THR 27 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3kcq n GLU 29 N 0.00 0.00 -4.08 -0.78 -0.00 -1.26 -5.02 120.64 109.51 3kcq n GLU 29 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.16 56.85 3kcq n GLU 29 Cb 0.00 -2.51 -0.07 0.00 -0.00 0.00 0.00 31.44 28.86 3kcq n GLU 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3kcq s SER 30 N -2.50 5.58 0.12 -1.84 0.15 -1.26 -5.02 113.70 108.92 3kcq s SER 30 Ca 0.00 0.05 0.21 0.00 0.70 0.00 0.00 55.95 56.91 3kcq s SER 30 Cb 0.00 -1.54 -0.10 0.00 -1.71 0.00 0.00 66.02 62.67 3kcq s SER 30 CO 0.00 0.21 0.86 -0.24 1.20 0.00 0.00 173.24 175.27 3kcq n SER 31 N 0.75 0.66 -4.66 5.45 2.88 -1.26 -4.40 113.62 113.04 3kcq n SER 31 Ca -0.10 0.26 -0.33 0.00 -1.33 0.00 0.00 58.87 57.37 3kcq n SER 31 Cb 0.52 0.72 -0.09 0.00 -0.75 0.00 0.00 64.21 64.60 3kcq n SER 31 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3kcq s VAL 32 N -3.29 4.05 -0.10 2.46 1.01 -1.26 -2.36 120.40 120.92 3kcq s VAL 32 Ca -0.03 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.41 3kcq s VAL 32 Cb 0.10 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.72 3kcq s VAL 32 CO 0.82 0.43 -0.16 -0.69 0.00 0.00 0.00 175.10 175.51 3kcq s VAL 33 N -1.02 1.48 -0.49 2.92 1.01 -0.36 -4.73 120.40 119.22 3kcq s VAL 33 Ca 0.18 -0.65 -0.25 0.00 0.00 0.00 0.00 61.98 61.25 3kcq s VAL 33 Cb -0.11 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 34.96 3kcq s VAL 33 CO 0.08 0.44 0.93 -0.63 0.00 0.00 0.00 175.10 175.92 3kcq s ILE 34 N 0.80 4.44 -0.20 2.22 1.01 -1.26 0.01 121.20 128.22 3kcq s ILE 34 Ca -0.11 0.61 0.19 0.00 0.00 0.00 0.00 60.65 61.35 3kcq s ILE 34 Cb -0.16 -4.47 -0.01 0.00 0.01 0.00 0.00 42.46 37.83 3kcq s ILE 34 CO 0.01 -0.92 1.07 0.28 0.00 0.00 0.00 174.94 175.38 3kcq h SER 35 N 9.15 0.00 -4.98 3.58 0.02 -1.15 -3.47 113.55 116.71 3kcq h SER 35 Ca -0.25 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 3kcq h SER 35 Cb 1.07 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.50 3kcq h SER 35 CO 1.05 0.32 0.22 0.00 -1.14 0.00 0.00 176.83 177.28 3kcq s VAL 37 N -3.73 1.51 -0.04 0.00 1.01 -0.84 -2.17 120.40 116.14 3kcq s VAL 37 Ca 0.01 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.32 3kcq s VAL 37 Cb -0.01 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 3kcq s VAL 37 CO -0.12 0.44 -0.19 -0.63 0.00 0.00 0.00 175.10 174.59 3kcq s ILE 38 N 0.33 1.59 0.05 2.22 1.01 -0.17 -2.12 121.20 124.12 3kcq s ILE 38 Ca -0.11 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 59.79 3kcq s ILE 38 Cb -0.15 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 3kcq s ILE 38 CO 0.04 0.45 -0.20 -0.55 0.00 0.00 0.00 174.94 174.69 3kcq s SER 39 N -0.09 2.34 -0.10 3.58 0.15 -0.56 -0.14 113.70 118.89 3kcq s SER 39 Ca -0.02 -0.55 0.18 0.00 0.70 0.00 0.00 55.95 56.26 3kcq s SER 39 Cb -0.11 -0.17 0.68 0.00 -1.71 0.00 0.00 66.02 64.70 3kcq s SER 39 CO 0.02 0.12 1.57 -0.46 1.20 0.00 0.00 173.24 175.69 3kcq n ASN 40 N 1.69 4.43 -3.65 5.45 6.94 -1.17 -0.70 115.26 128.26 3kcq n ASN 40 Ca -0.18 -2.38 -0.21 0.00 -0.02 0.00 0.00 54.58 51.79 3kcq n ASN 40 Cb 0.54 -0.55 -0.17 0.00 -2.36 0.00 0.00 39.78 37.23 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 -0.88 1.45 0.20 0.53 2.47 -1.26 -4.36 114.94 113.09 3kcq s ASN 41 Ca 0.48 -0.10 0.20 0.00 0.42 0.00 0.00 52.86 53.86 3kcq s ASN 41 Cb 0.30 -0.11 0.87 0.00 -1.45 0.00 0.00 41.25 40.87 3kcq s ASN 41 CO 0.24 -0.28 1.60 0.00 -3.72 0.00 0.00 177.10 174.94 3kcq n ALA 42 N 5.30 1.48 -0.18 1.71 0.00 -1.26 -2.09 120.51 125.47 3kcq n ALA 42 Ca -0.04 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.58 3kcq n ALA 42 Cb 0.50 -1.31 0.28 0.00 0.00 0.00 0.00 19.45 18.91 3kcq n ALA 42 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kcq n GLU 43 N -2.05 2.66 -2.18 0.00 1.02 -1.26 -4.98 120.64 113.86 3kcq n GLU 43 Ca 0.01 -2.50 -0.43 0.00 -0.02 0.00 0.00 57.16 54.23 3kcq n GLU 43 Cb 0.16 -1.52 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 3kcq n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kcq s ALA 44 N -1.11 3.27 0.54 0.62 0.00 -0.89 -4.89 121.76 119.30 3kcq s ALA 44 Ca 0.44 0.36 0.22 0.00 0.00 0.00 0.00 51.96 52.98 3kcq s ALA 44 Cb 0.23 -3.84 1.39 0.00 0.00 0.00 0.00 23.12 20.90 3kcq s ALA 44 CO 0.31 -1.95 2.08 -0.09 0.00 0.00 0.00 175.76 176.11 3kcq h ARG 45 N 10.49 0.00 -0.21 0.00 2.43 -1.78 -2.03 114.38 123.27 3kcq h ARG 45 Ca -0.32 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 58.91 3kcq h ARG 45 Cb 1.14 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3kcq h ARG 45 CO 1.01 0.00 0.18 0.78 -1.51 0.00 0.00 179.97 180.43 3kcq h GLY 46 N 0.00 0.00 0.65 2.80 0.00 -0.99 -0.72 103.07 104.81 3kcq h GLY 46 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.55 3kcq h GLY 46 CO -0.00 0.00 0.58 1.41 0.00 0.00 0.00 176.54 178.53 3kcq h LEU 47 N 0.00 0.77 -0.44 3.11 3.38 -1.62 -1.10 115.31 119.41 3kcq h LEU 47 Ca 0.10 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.93 3kcq h LEU 47 Cb 0.46 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3kcq h LEU 47 CO -0.00 0.43 -0.53 -0.07 0.09 0.00 0.00 178.44 178.36 3kcq h LEU 48 N 0.84 0.78 -0.17 1.67 3.38 -1.32 -1.81 115.31 118.69 3kcq h LEU 48 Ca 0.43 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3kcq h LEU 48 Cb 0.50 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3kcq h LEU 48 CO -0.19 1.16 0.04 0.40 0.09 0.00 0.00 178.44 179.94 3kcq h ILE 49 N 0.55 0.94 -0.98 1.22 1.08 -1.46 -1.52 117.51 117.33 3kcq h ILE 49 Ca 0.02 -0.04 0.02 0.00 -0.39 0.00 0.00 64.86 64.47 3kcq h ILE 49 Cb 1.10 0.82 -0.05 0.00 -3.07 0.00 0.00 36.82 35.61 3kcq h ILE 49 CO 0.11 0.02 0.65 0.00 -0.69 0.00 0.00 178.15 178.24 3kcq h ALA 50 N 1.11 1.27 -0.00 1.87 0.00 -0.99 -1.85 119.26 120.67 3kcq h ALA 50 Ca 0.07 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 3kcq h ALA 50 Cb 0.06 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3kcq h ALA 50 CO -0.09 0.59 -0.64 1.96 0.00 0.00 0.00 179.25 181.07 3kcq h GLN 51 N 1.29 0.01 0.00 0.00 4.20 -1.02 -1.26 115.11 118.33 3kcq h GLN 51 Ca 0.37 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 59.03 3kcq h GLN 51 Cb -0.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3kcq h GLN 51 CO -0.10 0.65 -0.21 0.66 -0.67 0.00 0.00 178.83 179.16 3kcq h SER 52 N 0.01 0.00 -0.41 1.46 4.64 -0.44 -2.37 113.55 116.44 3kcq h SER 52 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3kcq h SER 52 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3kcq h SER 52 CO 0.08 0.21 0.00 -1.22 -0.87 0.00 0.00 176.83 175.03 3kcq n TYR 53 N -3.42 0.54 -1.16 4.77 4.01 -0.93 -4.93 117.16 116.04 3kcq n TYR 53 Ca -0.00 -0.27 -0.06 0.00 -0.16 0.00 0.00 57.90 57.41 3kcq n TYR 53 Cb 0.40 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.41 3kcq n TYR 53 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kcq n GLY 54 N 1.20 0.78 3.68 2.72 0.00 -0.89 -5.02 105.19 107.67 3kcq n GLY 54 Ca 0.15 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.06 5.12 0.33 -0.61 1.01 -0.52 -5.01 121.20 119.46 3kcq s ILE 55 Ca 0.00 1.02 -0.29 0.00 0.00 0.00 0.00 60.65 61.38 3kcq s ILE 55 Cb 0.00 -3.86 -0.11 0.00 0.01 0.00 0.00 42.46 38.50 3kcq s ILE 55 CO 0.00 0.22 1.49 -2.84 0.00 0.00 0.00 174.94 173.81 3kcq s PRO 56 N 1.29 4.17 0.15 2.79 0.02 -1.26 -4.28 135.00 137.89 3kcq s PRO 56 Ca 0.26 2.49 0.10 0.00 0.02 0.00 0.00 61.00 63.88 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 0.10 -0.50 -0.20 0.95 -0.33 0.00 0.00 177.00 177.02 3kcq s THR 57 N -0.67 2.62 -0.04 0.99 -4.23 -1.26 -1.99 115.64 111.06 3kcq s THR 57 Ca 0.56 -1.75 -0.01 0.00 -1.18 0.00 0.00 61.69 59.30 3kcq s THR 57 Cb -0.45 -2.23 0.03 0.00 1.34 0.00 0.00 72.50 71.19 3kcq s THR 57 CO 0.55 -0.01 0.08 -0.36 -0.54 0.00 0.00 174.62 174.35 3kcq s PHE 58 N -1.38 -0.06 -0.17 3.99 0.08 -0.90 -4.99 117.98 114.54 3kcq s PHE 58 Ca 0.19 0.28 -0.06 0.00 0.12 0.00 0.00 56.93 57.46 3kcq s PHE 58 Cb -0.09 -0.14 -0.04 0.00 -0.57 0.00 0.00 43.02 42.18 3kcq s PHE 58 CO 0.10 -0.12 0.03 0.08 -0.10 0.00 0.00 175.22 175.21 3kcq s VAL 59 N 1.00 4.47 0.17 -0.44 1.01 -1.26 -1.49 120.40 123.85 3kcq s VAL 59 Ca -0.08 -0.15 0.10 0.00 0.00 0.00 0.00 61.98 61.85 3kcq s VAL 59 Cb -0.11 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3kcq s VAL 59 CO -0.04 0.48 -0.20 0.68 0.00 0.00 0.00 175.10 176.02 3kcq s VAL 60 N 0.31 2.65 0.54 2.92 -7.23 0.12 -4.97 120.40 114.74 3kcq s VAL 60 Ca 0.01 -1.80 -0.21 0.00 -1.81 0.00 0.00 61.98 58.16 3kcq s VAL 60 Cb -0.13 -2.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 3kcq s VAL 60 CO 0.01 -0.05 1.28 -0.75 -0.31 0.00 0.00 175.10 175.28 3kcq s LYS 61 N -2.54 3.24 -0.22 4.82 2.20 -1.26 -4.37 119.74 121.61 3kcq s LYS 61 Ca 0.20 2.04 0.08 0.00 -0.36 0.00 0.00 55.97 57.93 3kcq s LYS 61 Cb -0.09 -2.22 -0.21 0.00 -1.51 0.00 0.00 37.83 33.80 3kcq s LYS 61 CO 0.11 -1.05 -0.03 -2.13 -0.36 0.00 0.00 175.35 171.89 3kcq n ARG 62 N -1.03 0.67 -3.44 4.03 0.63 -1.26 -2.51 116.66 113.76 3kcq n ARG 62 Ca 0.10 0.10 -0.20 0.00 -0.92 0.00 0.00 57.85 56.94 3kcq n ARG 62 Cb 0.47 -1.55 -0.11 0.00 0.45 0.00 0.00 32.46 31.72 3kcq n ARG 62 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3kcq s LYS 63 N -2.51 0.28 0.37 -0.14 1.02 -1.26 -2.14 119.74 115.36 3kcq s LYS 63 Ca -0.23 -0.19 -0.25 0.00 0.02 0.00 0.00 55.97 55.33 3kcq s LYS 63 Cb 0.08 -0.82 -0.09 0.00 -0.52 0.00 0.00 37.83 36.48 3kcq s LYS 63 CO 0.71 -0.99 1.02 -1.25 -0.92 0.00 0.00 175.35 173.92 3kcq s PRO 64 N 2.30 4.31 0.15 -1.68 0.04 -1.26 -5.08 135.00 133.78 3kcq s PRO 64 Ca 0.09 1.45 -0.31 0.00 0.04 0.00 0.00 61.00 62.27 3kcq s PRO 64 Cb -0.15 -2.62 -0.11 0.00 0.04 0.00 0.00 34.50 31.67 3kcq s PRO 64 CO -0.32 -0.00 1.78 -1.17 0.04 0.00 0.00 177.00 177.33 3kcq s LEU 65 N -2.46 4.39 -1.23 -3.56 2.96 -0.91 -4.86 118.68 113.01 3kcq s LEU 65 Ca 0.55 2.77 -0.14 0.00 -0.22 0.00 0.00 54.13 57.09 3kcq s LEU 65 Cb -0.21 -3.58 0.15 0.00 0.50 0.00 0.00 46.19 43.06 3kcq s LEU 65 CO 0.26 -0.98 1.51 -0.67 -1.32 0.00 0.00 176.35 175.15 3kcq n ASP 66 N 5.08 5.16 0.19 3.68 -0.08 -1.04 -4.79 116.55 124.76 3kcq n ASP 66 Ca 0.17 -2.97 0.07 0.00 -1.51 0.00 0.00 54.79 50.55 3kcq n ASP 66 Cb 0.37 -1.60 0.30 0.00 2.34 0.00 0.00 41.12 42.53 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 4.78 0.65 -0.23 5.18 2.10 -1.90 -2.87 117.51 125.22 3kcq h ILE 67 Ca 0.35 -1.48 -0.08 0.00 1.08 0.00 0.00 64.86 64.72 3kcq h ILE 67 Cb 0.86 1.99 -0.01 0.00 -1.09 0.00 0.00 36.82 38.57 3kcq h ILE 67 CO 1.30 0.30 -0.22 -0.08 -1.08 0.00 0.00 178.15 178.37 3kcq h GLU 68 N 0.00 0.41 -0.33 2.19 4.81 -1.99 -1.11 114.58 118.56 3kcq h GLU 68 Ca -0.00 -0.14 -0.16 0.00 -0.13 0.00 0.00 59.36 58.93 3kcq h GLU 68 Cb 0.97 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.31 3kcq h GLU 68 CO 0.04 0.61 -0.42 1.25 -0.73 0.00 0.00 179.01 179.76 3kcq h HIS 69 N 0.37 1.05 0.13 0.92 2.76 -1.92 -1.27 115.15 117.19 3kcq h HIS 69 Ca 0.06 -0.34 0.01 0.00 -2.20 0.00 0.00 60.37 57.90 3kcq h HIS 69 Cb 0.59 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.33 3kcq h HIS 69 CO 0.02 1.15 -0.15 0.82 -1.30 0.00 0.00 177.93 178.47 3kcq h ILE 70 N 0.65 0.66 -0.96 6.26 2.04 -1.33 -1.02 117.51 123.81 3kcq h ILE 70 Ca 0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.94 3kcq h ILE 70 Cb 1.02 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 3kcq h ILE 70 CO 0.10 0.00 0.63 0.28 0.00 0.00 0.00 178.15 179.16 3kcq h SER 71 N -0.32 1.04 -0.45 1.72 0.02 -1.26 -1.06 113.55 113.24 3kcq h SER 71 Ca 0.01 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3kcq h SER 71 Cb 0.31 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 3kcq h SER 71 CO -0.06 0.70 0.27 0.74 -1.14 0.00 0.00 176.83 177.35 3kcq h THR 72 N 1.20 1.05 -0.36 -2.27 2.02 -0.86 0.29 112.91 113.98 3kcq h THR 72 Ca 0.39 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 67.29 3kcq h THR 72 Cb 0.03 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3kcq h THR 72 CO -0.13 0.10 -0.14 0.58 0.37 0.00 0.00 175.52 176.30 3kcq h VAL 73 N 0.54 1.28 -0.34 3.16 2.07 -0.76 -1.40 116.25 120.81 3kcq h VAL 73 Ca 0.18 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 3kcq h VAL 73 Cb 0.01 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3kcq h VAL 73 CO -0.08 0.41 0.15 -0.07 0.02 0.00 0.00 177.57 178.00 3kcq h LEU 74 N 0.52 0.46 -0.05 2.57 3.38 -1.01 -1.64 115.31 119.54 3kcq h LEU 74 Ca 0.08 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kcq h LEU 74 Cb 0.67 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3kcq h LEU 74 CO 0.05 0.48 0.03 -0.09 0.09 0.00 0.00 178.44 179.00 3kcq h ARG 75 N 0.41 0.07 0.00 1.13 2.43 -0.89 -2.27 114.38 115.25 3kcq h ARG 75 Ca 0.12 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3kcq h ARG 75 Cb 0.16 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3kcq h ARG 75 CO -0.01 0.10 -0.01 0.93 -1.51 0.00 0.00 179.97 179.47 3kcq h GLU 76 N 0.03 0.00 -0.50 0.20 5.08 -1.15 -1.17 114.58 117.07 3kcq h GLU 76 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3kcq h GLU 76 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3kcq h GLU 76 CO -0.00 0.01 0.00 0.72 -1.00 0.00 0.00 179.01 178.73 3kcq n HIS 77 N -3.47 1.23 -3.85 4.33 8.25 -0.63 -4.98 115.22 116.10 3kcq n HIS 77 Ca -0.03 -0.66 -0.28 0.00 -0.26 0.00 0.00 57.72 56.49 3kcq n HIS 77 Cb 0.09 -0.24 0.03 0.00 1.12 0.00 0.00 29.99 30.99 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 0.59 -3.80 -4.70 0.41 8.00 -0.44 -4.88 116.55 111.74 3kcq n ASP 78 Ca 0.22 -0.79 -0.42 0.00 0.71 0.00 0.00 54.79 54.52 3kcq n ASP 78 Cb 0.83 -3.95 -0.03 0.00 -0.02 0.00 0.00 41.12 37.95 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 -3.41 3.78 -0.01 2.53 1.01 -0.90 -4.69 120.40 118.71 3kcq s VAL 79 Ca 0.47 1.22 0.08 0.00 0.00 0.00 0.00 61.98 63.75 3kcq s VAL 79 Cb -0.24 -3.78 -0.23 0.00 0.00 0.00 0.00 36.38 32.13 3kcq s VAL 79 CO 0.82 0.04 0.79 0.44 0.00 0.00 0.00 175.10 177.19 3kcq h ASP 80 N 7.31 0.08 -3.23 3.32 3.32 -1.24 -3.48 116.42 122.50 3kcq h ASP 80 Ca -0.39 -0.14 -0.25 0.00 0.02 0.00 0.00 57.03 56.27 3kcq h ASP 80 Cb 1.19 -0.03 -0.33 0.00 0.22 0.00 0.00 39.33 40.39 3kcq h ASP 80 CO 0.87 1.12 -0.58 -0.22 -1.72 0.00 0.00 179.24 178.71 3kcq s LEU 81 N -6.40 0.28 -0.22 1.55 2.96 -1.10 -4.85 118.68 110.90 3kcq s LEU 81 Ca -0.05 0.39 -0.11 0.00 -0.22 0.00 0.00 54.13 54.14 3kcq s LEU 81 Cb 0.08 0.45 -0.05 0.00 0.50 0.00 0.00 46.19 47.18 3kcq s LEU 81 CO 0.82 -0.19 0.16 -0.69 -1.32 0.00 0.00 176.35 175.13 3kcq s VAL 82 N 1.69 5.37 -0.23 1.68 1.01 0.36 -1.69 120.40 128.60 3kcq s VAL 82 Ca -0.04 0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 3kcq s VAL 82 Cb -0.12 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.77 3kcq s VAL 82 CO -0.07 0.38 -0.05 0.00 0.00 0.00 0.00 175.10 175.36 3kcq s LEU 84 N 1.44 4.31 -0.41 0.00 1.43 -0.09 -0.89 118.68 124.47 3kcq s LEU 84 Ca 0.04 1.52 0.05 0.00 -1.03 0.00 0.00 54.13 54.72 3kcq s LEU 84 Cb -0.15 -3.47 0.20 0.00 0.03 0.00 0.00 46.19 42.80 3kcq s LEU 84 CO -0.04 -0.30 0.41 0.00 0.23 0.00 0.00 176.35 176.65 3kcq n ALA 85 N 4.30 2.75 -1.22 4.21 0.00 -0.75 -3.66 120.51 126.13 3kcq n ALA 85 Ca 0.06 -3.25 0.00 0.00 0.00 0.00 0.00 53.44 50.25 3kcq n ALA 85 Cb 0.50 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 2.33 0.40 3.68 0.00 0.00 -1.26 -4.50 105.19 105.84 3kcq n GLY 86 Ca 0.27 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.00 3.28 -0.65 1.61 5.36 -1.26 -3.03 117.98 121.29 3kcq s PHE 87 Ca 0.00 1.34 -0.05 0.00 -0.96 0.00 0.00 56.93 57.26 3kcq s PHE 87 Cb 0.00 -3.34 0.17 0.00 -0.34 0.00 0.00 43.02 39.51 3kcq s PHE 87 CO 0.00 -0.91 0.49 -1.64 -1.46 0.00 0.00 175.22 171.70 3kcq s MET 88 N 2.35 2.75 -0.08 10.12 -1.94 -1.26 -4.94 119.30 126.29 3kcq s MET 88 Ca 0.52 -2.46 -0.31 0.00 -1.71 0.00 0.00 55.69 51.73 3kcq s MET 88 Cb -0.21 -3.88 0.12 0.00 2.01 0.00 0.00 34.83 32.87 3kcq s MET 88 CO 0.19 -1.19 1.02 -1.12 -0.01 0.00 0.00 175.02 173.90 3kcq s SER 89 N 1.12 -0.27 -0.34 3.03 0.01 -1.26 -5.06 113.70 110.93 3kcq s SER 89 Ca 0.16 0.00 -0.14 0.00 1.31 0.00 0.00 55.95 57.29 3kcq s SER 89 Cb -0.19 0.29 -0.02 0.00 0.21 0.00 0.00 66.02 66.31 3kcq s SER 89 CO -0.04 -0.46 0.29 -0.63 0.41 0.00 0.00 173.24 172.81 3kcq s ILE 90 N -2.82 5.24 0.44 1.44 1.01 -1.26 -5.07 121.20 120.19 3kcq s ILE 90 Ca 0.07 -0.10 -0.24 0.00 0.00 0.00 0.00 60.65 60.38 3kcq s ILE 90 Cb -0.01 -3.76 -0.08 0.00 0.01 0.00 0.00 42.46 38.62 3kcq s ILE 90 CO -0.07 -0.04 1.18 -0.76 0.00 0.00 0.00 174.94 175.25 3kcq s LEU 91 N 1.85 4.07 0.70 2.97 1.43 -1.26 -5.02 118.68 123.42 3kcq s LEU 91 Ca 0.09 2.36 -0.11 0.00 -1.03 0.00 0.00 54.13 55.44 3kcq s LEU 91 Cb -0.17 -4.16 0.01 0.00 0.03 0.00 0.00 46.19 41.90 3kcq s LEU 91 CO 0.11 -0.87 1.06 -2.16 0.23 0.00 0.00 176.35 174.72 3kcq s PRO 92 N -2.57 2.93 0.12 1.29 0.04 -1.26 -4.88 135.00 130.67 3kcq s PRO 92 Ca 0.62 0.94 -0.24 0.00 0.04 0.00 0.00 61.00 62.35 3kcq s PRO 92 Cb -0.30 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 3kcq s PRO 92 CO 0.37 -1.10 1.66 1.49 0.04 0.00 0.00 177.00 179.46 3kcq h GLU 93 N -0.72 -0.27 -0.74 4.56 4.22 -1.99 -2.24 114.58 117.41 3kcq h GLU 93 Ca -0.44 0.02 0.06 0.00 0.08 0.00 0.00 59.36 59.08 3kcq h GLU 93 Cb 1.21 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.46 3kcq h GLU 93 CO 0.57 -0.18 0.43 -0.22 -2.18 0.00 0.00 179.01 177.43 3kcq h LYS 94 N -0.28 0.76 -0.44 1.92 3.64 -1.98 0.82 116.57 121.01 3kcq h LYS 94 Ca 0.07 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3kcq h LYS 94 Cb 0.37 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3kcq h LYS 94 CO -0.19 0.50 0.10 0.35 -2.27 0.00 0.00 179.45 177.94 3kcq h PHE 95 N 0.78 0.75 -0.65 1.91 3.57 -1.85 0.49 116.94 121.93 3kcq h PHE 95 Ca 0.33 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 3kcq h PHE 95 Cb 0.20 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 3kcq h PHE 95 CO -0.06 0.70 0.30 0.28 -2.23 0.00 0.00 178.31 177.29 3kcq h VAL 96 N 0.58 1.23 0.47 1.41 2.07 -0.81 -1.78 116.25 119.42 3kcq h VAL 96 Ca 0.14 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 3kcq h VAL 96 Cb 0.33 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3kcq h VAL 96 CO 0.00 0.27 -0.23 0.74 0.02 0.00 0.00 177.57 178.37 3kcq h THR 97 N 0.90 0.54 -0.86 2.57 2.02 -0.42 -2.63 112.91 115.03 3kcq h THR 97 Ca 0.22 -0.07 0.17 0.00 0.77 0.00 0.00 66.41 67.50 3kcq h THR 97 Cb 0.14 0.57 -0.10 0.00 -1.74 0.00 0.00 68.15 67.02 3kcq h THR 97 CO -0.03 0.01 0.42 0.44 0.37 0.00 0.00 175.52 176.74 3kcq h ASP 98 N -0.67 0.47 -0.54 4.18 3.32 0.08 -2.41 116.42 120.84 3kcq h ASP 98 Ca -0.06 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3kcq h ASP 98 Cb 0.50 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3kcq h ASP 98 CO 0.11 0.16 0.00 0.79 -1.72 0.00 0.00 179.24 178.57 3kcq n TRP 99 N -4.92 1.82 -1.61 4.55 7.02 -0.68 -5.01 117.44 118.61 3kcq n TRP 99 Ca 0.18 -0.64 -0.50 0.00 -1.02 0.00 0.00 57.50 55.52 3kcq n TRP 99 Cb 0.50 -0.43 -0.05 0.00 -2.42 0.00 0.00 31.31 28.90 3kcq n TRP 99 CO 0.00 0.00 0.00 1.58 -2.02 0.00 0.00 177.69 177.25 3kcq n HIS 100 N 0.66 1.64 -0.79 -5.99 -0.00 -0.91 0.22 115.22 110.05 3kcq n HIS 100 Ca 0.25 0.57 0.00 0.00 0.46 0.00 0.00 57.72 59.00 3kcq n HIS 100 Cb 1.07 -2.37 0.00 0.00 -0.12 0.00 0.00 29.99 28.57 3kcq n HIS 100 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 3kcq n HIS 101 N 2.46 0.00 -0.55 1.57 8.25 -1.26 -4.81 115.22 120.87 3kcq n HIS 101 Ca 0.17 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.64 3kcq n HIS 101 Cb 0.22 -0.24 0.01 0.00 1.12 0.00 0.00 29.99 31.11 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 -2.00 1.67 -4.92 -0.41 5.02 0.13 -5.00 118.16 112.65 3kcq n LYS 102 Ca 0.00 -1.24 -0.27 0.00 -2.02 0.00 0.00 58.31 54.78 3kcq n LYS 102 Cb 0.00 -0.85 -0.16 0.00 -0.02 0.00 0.00 35.03 34.00 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 -0.79 1.55 0.24 -0.18 1.01 -1.10 -0.49 121.20 121.43 3kcq s ILE 103 Ca 0.03 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.92 3kcq s ILE 103 Cb 0.03 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 41.12 3kcq s ILE 103 CO 0.00 0.44 0.02 0.27 0.00 0.00 0.00 174.94 175.67 3kcq s ILE 104 N -0.03 0.95 0.05 2.92 -4.36 -0.30 -1.14 121.20 119.28 3kcq s ILE 104 Ca -0.03 -2.02 -0.08 0.00 -0.26 0.00 0.00 60.65 58.26 3kcq s ILE 104 Cb -0.12 -2.40 -0.00 0.00 1.25 0.00 0.00 42.46 41.19 3kcq s ILE 104 CO 0.02 -0.26 0.17 0.21 0.24 0.00 0.00 174.94 175.32 3kcq s ASN 105 N -3.31 0.09 -0.06 4.36 2.47 -0.73 -0.91 114.94 116.84 3kcq s ASN 105 Ca 0.30 -0.48 0.04 0.00 0.42 0.00 0.00 52.86 53.14 3kcq s ASN 105 Cb 0.06 0.29 -0.02 0.00 -1.45 0.00 0.00 41.25 40.13 3kcq s ASN 105 CO 0.10 -0.60 -0.17 -0.51 -3.72 0.00 0.00 177.10 172.20 3kcq s ILE 106 N -2.94 2.77 -0.05 -5.21 2.07 -1.24 -1.90 121.20 114.71 3kcq s ILE 106 Ca -0.02 -0.81 0.03 0.00 -1.41 0.00 0.00 60.65 58.43 3kcq s ILE 106 Cb 0.01 -2.08 0.01 0.00 0.13 0.00 0.00 42.46 40.53 3kcq s ILE 106 CO -0.06 0.57 -0.12 -2.28 -1.91 0.00 0.00 174.94 171.15 3kcq s HIS 107 N -0.40 1.31 -0.30 3.50 5.65 -0.50 -4.85 115.29 119.69 3kcq s HIS 107 Ca 0.04 -0.41 -0.05 0.00 0.25 0.00 0.00 55.06 54.88 3kcq s HIS 107 Cb -0.12 -0.94 -0.12 0.00 -1.18 0.00 0.00 32.58 30.22 3kcq s HIS 107 CO 0.02 -0.20 3.23 -0.35 -0.65 0.00 0.00 174.74 176.79 3kcq n PRO 108 N 3.55 2.33 -4.03 2.88 -0.04 -1.26 -1.05 135.00 137.38 3kcq n PRO 108 Ca -0.21 -1.66 -0.10 0.00 -0.04 0.00 0.00 63.50 61.50 3kcq n PRO 108 Cb 0.53 -2.12 -0.06 0.00 -0.04 0.00 0.00 33.50 31.81 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 1.32 -0.05 -0.94 3.54 1.04 -0.70 -4.27 113.70 113.65 3kcq s SER 109 Ca 0.64 -1.00 -0.21 0.00 0.48 0.00 0.00 55.95 55.86 3kcq s SER 109 Cb 0.33 0.55 0.10 0.00 0.10 0.00 0.00 66.02 67.10 3kcq s SER 109 CO -0.09 -1.08 1.22 -0.76 0.98 0.00 0.00 173.24 173.51 3kcq s LEU 110 N -3.04 4.46 0.59 2.42 1.43 -1.23 -2.24 118.68 121.07 3kcq s LEU 110 Ca 0.25 -1.74 -0.19 0.00 -1.03 0.00 0.00 54.13 51.42 3kcq s LEU 110 Cb 0.01 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 3kcq s LEU 110 CO 0.09 -1.25 1.20 -0.76 0.23 0.00 0.00 176.35 175.86 3kcq s LEU 111 N 3.60 3.68 0.00 1.79 1.43 -1.26 -2.28 118.68 125.63 3kcq s LEU 111 Ca 0.36 2.37 0.12 0.00 -1.03 0.00 0.00 54.13 55.95 3kcq s LEU 111 Cb -0.04 -4.60 0.37 0.00 0.03 0.00 0.00 46.19 41.96 3kcq s LEU 111 CO -0.08 -1.55 1.30 -0.81 0.23 0.00 0.00 176.35 175.44 3kcq n PRO 112 N -1.56 1.80 -2.52 1.29 -0.04 -1.26 -5.08 135.00 127.63 3kcq n PRO 112 Ca 0.13 -1.24 -0.40 0.00 -0.04 0.00 0.00 63.50 61.95 3kcq n PRO 112 Cb 0.50 -1.29 -0.05 0.00 -0.04 0.00 0.00 33.50 32.62 3kcq n PRO 112 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3kcq s SER 113 N -1.08 7.26 -1.05 3.54 0.01 -0.97 -4.17 113.70 117.26 3kcq s SER 113 Ca 0.25 2.20 -0.04 0.00 1.31 0.00 0.00 55.95 59.66 3kcq s SER 113 Cb 0.13 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.75 3kcq s SER 113 CO 0.17 -0.14 0.90 0.49 0.41 0.00 0.00 173.24 175.07 3kcq n PHE 114 N 1.08 -2.11 -1.51 2.43 3.72 -1.26 -4.42 117.46 115.38 3kcq n PHE 114 Ca -0.01 0.80 -0.37 0.00 -0.05 0.00 0.00 57.45 57.82 3kcq n PHE 114 Cb 0.46 -4.36 0.06 0.00 -0.94 0.00 0.00 39.48 34.69 3kcq n PHE 114 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3kcq n LYS 115 N -3.90 0.67 0.00 -1.08 5.02 -1.26 -4.68 118.16 112.94 3kcq n LYS 115 Ca -0.09 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3kcq n LYS 115 Cb 0.58 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 3kcq n LYS 115 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kcq n GLY 116 N 1.44 -1.80 3.77 0.72 0.00 -1.26 -4.91 105.19 103.14 3kcq n GLY 116 Ca 0.13 -1.85 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 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 3.26 -0.91 0.99 1.02 -1.26 -4.21 118.68 117.57 3kcq s LEU 117 Ca 0.00 1.95 -0.05 0.00 0.02 0.00 0.00 54.13 56.06 3kcq s LEU 117 Cb 0.00 -4.54 0.01 0.00 0.02 0.00 0.00 46.19 41.67 3kcq s LEU 117 CO 0.00 -1.80 0.78 0.59 0.02 0.00 0.00 176.35 175.94 3kcq n ASN 118 N -2.82 -4.25 0.09 2.29 3.02 -1.26 -4.92 115.26 107.41 3kcq n ASN 118 Ca 0.10 -0.39 -0.03 0.00 -0.03 0.00 0.00 54.58 54.23 3kcq n ASN 118 Cb 0.52 -3.64 0.19 0.00 -0.61 0.00 0.00 39.78 36.24 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 0.68 1.02 -0.14 5.41 0.00 -1.83 -2.15 119.26 122.24 3kcq h ALA 119 Ca -0.40 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 53.91 3kcq h ALA 119 Cb 1.25 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.95 3kcq h ALA 119 CO 0.37 0.63 -0.51 1.96 0.00 0.00 0.00 179.25 181.70 3kcq h GLN 120 N 0.21 0.59 -0.62 0.00 7.50 -1.92 -2.73 115.11 118.14 3kcq h GLN 120 Ca 0.01 -0.45 -0.02 0.00 0.50 0.00 0.00 58.65 58.70 3kcq h GLN 120 Cb 0.90 0.08 -0.03 0.00 0.05 0.00 0.00 27.48 28.49 3kcq h GLN 120 CO 0.07 1.07 0.32 1.49 -1.50 0.00 0.00 178.83 180.29 3kcq h GLU 121 N 0.23 0.87 -0.55 1.46 4.81 -1.81 -0.16 114.58 119.43 3kcq h GLU 121 Ca -0.03 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.13 3kcq h GLU 121 Cb 1.14 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.32 3kcq h GLU 121 CO 0.11 0.68 0.31 1.96 -0.73 0.00 0.00 179.01 181.33 3kcq h GLN 122 N 0.84 0.58 -0.16 1.92 4.20 -1.41 0.54 115.11 121.62 3kcq h GLN 122 Ca 0.22 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 3kcq h GLN 122 Cb 0.07 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3kcq h GLN 122 CO -0.03 0.38 0.03 0.00 -0.67 0.00 0.00 178.83 178.55 3kcq h ALA 123 N 1.27 0.22 -0.13 3.87 0.00 -1.22 -1.19 119.26 122.07 3kcq h ALA 123 Ca 0.23 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3kcq h ALA 123 Cb 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3kcq h ALA 123 CO -0.14 -0.14 -0.09 -0.92 0.00 0.00 0.00 179.25 177.97 3kcq h TYR 124 N 0.06 -0.22 -0.18 0.00 3.20 -0.58 -2.04 116.97 117.21 3kcq h TYR 124 Ca 0.05 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 3kcq h TYR 124 Cb 0.28 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 3kcq h TYR 124 CO 0.01 -0.14 -0.17 0.87 -1.64 0.00 0.00 178.16 177.09 3kcq h LYS 125 N -0.09 0.30 0.00 1.82 1.79 -0.86 -2.46 116.57 117.07 3kcq h LYS 125 Ca 0.08 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 3kcq h LYS 125 Cb 0.22 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.83 3kcq h LYS 125 CO -0.19 0.47 -0.08 0.00 -1.08 0.00 0.00 179.45 178.57 3kcq h ALA 126 N 1.55 1.77 -0.18 3.86 0.00 -0.54 -3.47 119.26 122.26 3kcq h ALA 126 Ca 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3kcq h ALA 126 Cb 0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3kcq h ALA 126 CO 0.03 0.10 -0.04 0.41 0.00 0.00 0.00 179.25 179.75 3kcq n GLY 127 N -1.24 0.42 3.73 0.00 0.00 -0.88 -5.03 105.19 102.19 3kcq n GLY 127 Ca -0.03 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.08 2.29 -0.80 1.61 -7.23 -1.22 -4.94 120.40 108.01 3kcq s VAL 128 Ca 0.00 0.16 0.18 0.00 -1.81 0.00 0.00 61.98 60.51 3kcq s VAL 128 Cb 0.00 -2.90 -0.21 0.00 0.56 0.00 0.00 36.38 33.83 3kcq s VAL 128 CO 0.00 -0.06 0.75 0.29 -0.31 0.00 0.00 175.10 175.78 3kcq n LYS 129 N -2.22 0.90 -3.91 4.82 4.01 -1.26 -4.79 118.16 115.69 3kcq n LYS 129 Ca 0.14 -0.01 -0.14 0.00 -0.51 0.00 0.00 58.31 57.79 3kcq n LYS 129 Cb 0.49 -1.37 -0.15 0.00 -0.51 0.00 0.00 35.03 33.49 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 -2.78 0.09 0.00 -0.18 1.01 -1.26 -2.19 121.20 115.89 3kcq s ILE 130 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.72 3kcq s ILE 130 Cb 0.14 -0.13 0.00 0.00 0.01 0.00 0.00 42.46 42.48 3kcq s ILE 130 CO 0.76 0.06 0.00 0.00 0.00 0.00 0.00 174.94 175.76 3kcq n ALA 131 N 3.43 0.00 0.00 9.38 0.00 0.11 -4.95 120.51 128.47 3kcq n ALA 131 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3kcq n ALA 131 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 0.50 -1.00 3.29 0.00 0.00 -1.26 0.78 105.19 107.50 3kcq n GLY 132 Ca 0.00 -1.16 -0.16 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.33 0.72 -0.18 0.00 2.01 -0.22 -1.40 115.64 113.24 3kcq s THR 134 Ca 0.22 -0.29 -0.08 0.00 0.31 0.00 0.00 61.69 61.85 3kcq s THR 134 Cb 0.04 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 3kcq s THR 134 CO 0.05 0.24 0.10 -0.22 -0.69 0.00 0.00 174.62 174.10 3kcq s LEU 135 N 0.45 4.07 -0.03 4.42 2.96 0.15 -1.41 118.68 129.29 3kcq s LEU 135 Ca -0.07 0.21 -0.14 0.00 -0.22 0.00 0.00 54.13 53.90 3kcq s LEU 135 Cb -0.11 -2.03 0.02 0.00 0.50 0.00 0.00 46.19 44.57 3kcq s LEU 135 CO 0.01 0.22 0.31 -1.38 -1.32 0.00 0.00 176.35 174.19 3kcq s HIS 136 N 0.12 -0.20 0.29 5.38 -3.43 -0.80 -0.33 115.29 116.32 3kcq s HIS 136 Ca 0.07 0.34 -0.30 0.00 -0.80 0.00 0.00 55.06 54.38 3kcq s HIS 136 Cb -0.12 0.10 -0.11 0.00 -1.43 0.00 0.00 32.58 31.03 3kcq s HIS 136 CO -0.00 -0.36 1.50 0.71 -2.00 0.00 0.00 174.74 174.58 3kcq s TYR 137 N -1.15 2.85 -0.40 0.38 2.02 -0.28 -1.78 117.35 118.99 3kcq s TYR 137 Ca -0.12 0.98 -0.28 0.00 -0.37 0.00 0.00 57.07 57.29 3kcq s TYR 137 Cb -0.05 -3.94 0.02 0.00 -0.40 0.00 0.00 41.96 37.59 3kcq s TYR 137 CO 0.04 -3.02 1.04 0.08 -1.57 0.00 0.00 175.55 172.12 3kcq s VAL 138 N -0.28 4.43 0.16 0.71 1.01 -0.29 -3.81 120.40 122.32 3kcq s VAL 138 Ca 0.59 1.34 0.02 0.00 0.00 0.00 0.00 61.98 63.93 3kcq s VAL 138 Cb -0.45 -4.46 0.02 0.00 0.00 0.00 0.00 36.38 31.49 3kcq s VAL 138 CO 0.49 -0.70 0.13 -1.22 0.00 0.00 0.00 175.10 173.81 3kcq n TYR 139 N 7.18 -1.43 -0.28 5.22 4.02 -1.26 -4.77 117.16 125.85 3kcq n TYR 139 Ca 0.10 -0.66 -0.06 0.00 -0.01 0.00 0.00 57.90 57.27 3kcq n TYR 139 Cb 0.48 -0.13 0.08 0.00 -0.02 0.00 0.00 39.34 39.75 3kcq n TYR 139 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 3kcq h GLN 140 N 0.00 1.16 -6.01 -0.72 5.75 -1.95 -3.42 115.11 109.93 3kcq h GLN 140 Ca -0.10 -0.22 -0.59 0.00 -0.15 0.00 0.00 58.65 57.59 3kcq h GLN 140 Cb 0.36 -0.18 -0.06 0.00 1.07 0.00 0.00 27.48 28.67 3kcq h GLN 140 CO 0.15 0.95 -0.15 -1.21 -2.65 0.00 0.00 178.83 175.93 3kcq s GLU 141 N -5.50 4.07 0.20 1.69 2.02 -1.26 -5.00 118.70 114.94 3kcq s GLU 141 Ca -0.12 0.50 -0.32 0.00 0.02 0.00 0.00 54.97 55.05 3kcq s GLU 141 Cb 0.16 -3.27 -0.12 0.00 0.10 0.00 0.00 34.13 31.00 3kcq s GLU 141 CO 0.84 0.57 1.74 -1.17 0.02 0.00 0.00 175.26 177.25 3kcq s LEU 142 N -0.73 4.37 -2.14 1.80 2.96 -1.26 -2.37 118.68 121.31 3kcq s LEU 142 Ca 0.25 2.87 0.00 0.00 -0.22 0.00 0.00 54.13 57.03 3kcq s LEU 142 Cb -0.17 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.92 3kcq s LEU 142 CO 0.14 -0.98 0.00 0.47 -1.32 0.00 0.00 176.35 174.66 3kcq n ASP 143 N 4.12 -5.58 -0.07 3.68 8.00 -1.26 -4.83 116.55 120.61 3kcq n ASP 143 Ca 0.16 0.43 0.01 0.00 0.71 0.00 0.00 54.79 56.10 3kcq n ASP 143 Cb 0.35 -4.86 0.00 0.00 -0.02 0.00 0.00 41.12 36.60 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 0.83 2.44 -0.85 2.24 0.00 -1.00 -4.96 120.51 119.21 3kcq n ALA 144 Ca -0.21 -0.40 -0.29 0.00 0.00 0.00 0.00 53.44 52.53 3kcq n ALA 144 Cb 0.68 -0.08 0.23 0.00 0.00 0.00 0.00 19.45 20.29 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 -0.45 1.53 0.34 0.00 0.00 -1.25 -4.95 107.32 102.55 3kcq s GLY 145 Ca 0.02 -0.53 -0.28 0.00 0.00 0.00 0.00 44.72 43.94 3kcq s GLY 145 CO 0.04 0.25 1.18 -4.14 0.00 0.00 0.00 173.10 170.43 3kcq s PRO 146 N -4.95 4.34 -0.05 2.90 0.02 -1.25 -4.61 135.00 131.40 3kcq s PRO 146 Ca 0.68 1.92 -0.25 0.00 0.02 0.00 0.00 61.00 63.37 3kcq s PRO 146 Cb -0.17 -2.95 -0.03 0.00 0.02 0.00 0.00 34.50 31.36 3kcq s PRO 146 CO 0.59 -0.10 0.78 0.42 -0.33 0.00 0.00 177.00 178.36 3kcq s ILE 147 N -1.26 5.00 -0.25 2.83 1.01 -1.26 -1.13 121.20 126.13 3kcq s ILE 147 Ca 0.51 1.61 -0.07 0.00 0.00 0.00 0.00 60.65 62.69 3kcq s ILE 147 Cb -0.33 -4.12 -0.13 0.00 0.01 0.00 0.00 42.46 37.89 3kcq s ILE 147 CO 0.43 0.22 -0.29 -0.38 0.00 0.00 0.00 174.94 174.93 3kcq n ILE 148 N 3.82 1.41 -3.81 2.92 5.41 0.54 -4.34 119.36 125.32 3kcq n ILE 148 Ca 0.01 -0.42 -0.12 0.00 1.00 0.00 0.00 62.75 63.21 3kcq n ILE 148 Cb 0.51 -1.66 -0.10 0.00 -0.71 0.00 0.00 39.64 37.67 3kcq n ILE 148 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 176.55 176.23 3kcq s MET 149 N -2.48 0.45 0.03 0.38 0.00 -1.01 -4.81 119.30 111.86 3kcq s MET 149 Ca -0.35 -0.02 0.03 0.00 0.00 0.00 0.00 55.69 55.36 3kcq s MET 149 Cb 0.12 0.20 -0.02 0.00 0.00 0.00 0.00 34.83 35.13 3kcq s MET 149 CO 0.49 -0.10 -0.10 -0.65 0.00 0.00 0.00 175.02 174.67 3kcq s GLN 150 N -0.70 0.65 -0.03 4.11 -0.21 -0.39 -0.68 119.66 122.42 3kcq s GLN 150 Ca -0.08 -0.66 0.02 0.00 0.02 0.00 0.00 55.36 54.66 3kcq s GLN 150 Cb -0.04 -0.55 0.01 0.00 1.00 0.00 0.00 33.01 33.42 3kcq s GLN 150 CO 0.02 0.13 -0.09 0.00 -2.12 0.00 0.00 175.29 173.23 3kcq s ALA 151 N -0.97 0.87 -0.03 6.09 0.00 -0.50 -0.51 121.76 126.72 3kcq s ALA 151 Ca -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 3kcq s ALA 151 Cb -0.08 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 3kcq s ALA 151 CO 0.01 0.11 0.05 0.00 0.00 0.00 0.00 175.76 175.92 3kcq s ALA 152 N 0.40 3.46 0.15 0.00 0.00 0.12 -1.06 121.76 124.82 3kcq s ALA 152 Ca -0.07 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.09 3kcq s ALA 152 Cb -0.11 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 3kcq s ALA 152 CO 0.01 0.65 -0.12 0.14 0.00 0.00 0.00 175.76 176.43 3kcq s VAL 153 N -1.08 1.34 0.49 0.00 -7.23 0.23 -1.51 120.40 112.65 3kcq s VAL 153 Ca 0.19 -1.97 -0.05 0.00 -1.81 0.00 0.00 61.98 58.34 3kcq s VAL 153 Cb -0.12 -1.77 -0.03 0.00 0.56 0.00 0.00 36.38 35.02 3kcq s VAL 153 CO 0.09 -0.60 0.80 -2.16 -0.31 0.00 0.00 175.10 172.92 3kcq s PRO 154 N -3.33 3.48 -0.22 4.82 0.04 -1.26 0.05 135.00 138.57 3kcq s PRO 154 Ca 0.15 0.18 -0.02 0.00 0.04 0.00 0.00 61.00 61.35 3kcq s PRO 154 Cb -0.01 -2.37 0.01 0.00 0.04 0.00 0.00 34.50 32.18 3kcq s PRO 154 CO 0.03 -0.26 -0.10 0.08 0.04 0.00 0.00 177.00 176.79 3kcq s VAL 155 N -2.77 2.83 0.40 -0.36 1.01 -0.93 -4.77 120.40 115.81 3kcq s VAL 155 Ca 0.48 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 3kcq s VAL 155 Cb -0.10 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 3kcq s VAL 155 CO 0.45 0.39 0.62 -0.76 0.00 0.00 0.00 175.10 175.80 3kcq s LEU 156 N 1.38 3.84 0.31 3.92 1.43 -1.26 -4.88 118.68 123.42 3kcq s LEU 156 Ca 0.04 0.46 0.05 0.00 -1.03 0.00 0.00 54.13 53.65 3kcq s LEU 156 Cb -0.15 -3.34 0.69 0.00 0.03 0.00 0.00 46.19 43.43 3kcq s LEU 156 CO -0.07 -0.46 1.83 -0.09 0.23 0.00 0.00 176.35 177.80 3kcq h ARG 157 N 0.57 0.81 -0.05 1.70 2.43 -2.01 -2.22 114.38 115.61 3kcq h ARG 157 Ca -0.48 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 3kcq h ARG 157 Cb 1.23 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3kcq h ARG 157 CO 0.60 0.54 0.00 -0.85 -1.51 0.00 0.00 179.97 178.75 3kcq n GLU 158 N -4.63 1.51 -1.21 0.20 0.00 -1.26 -4.96 120.64 110.30 3kcq n GLU 158 Ca 0.19 -0.76 -0.33 0.00 0.00 0.00 0.00 57.16 56.27 3kcq n GLU 158 Cb 0.45 -1.44 0.11 0.00 0.00 0.00 0.00 31.44 30.56 3kcq n GLU 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3kcq s ASP 159 N -1.84 3.87 0.36 -1.84 1.01 -0.84 -5.06 116.67 112.34 3kcq s ASP 159 Ca 0.37 2.26 0.08 0.00 0.71 0.00 0.00 52.55 55.97 3kcq s ASP 159 Cb 0.19 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.50 3kcq s ASP 159 CO 0.31 -2.48 0.13 0.42 0.21 0.00 0.00 175.17 173.76 3kcq s THR 160 N -2.26 2.72 0.35 -1.27 -4.23 -1.26 -5.01 115.64 104.68 3kcq s THR 160 Ca 0.71 -1.75 0.10 0.00 -1.18 0.00 0.00 61.69 59.57 3kcq s THR 160 Cb -0.26 -2.94 0.33 0.00 1.34 0.00 0.00 72.50 70.97 3kcq s THR 160 CO 0.50 -0.13 1.83 0.00 -0.54 0.00 0.00 174.62 176.28 3kcq h ALA 161 N 1.56 1.88 -0.09 3.99 0.00 -1.97 -1.56 119.26 123.07 3kcq h ALA 161 Ca -0.43 0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.30 3kcq h ALA 161 Cb 1.25 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.97 3kcq h ALA 161 CO 0.66 -0.18 -0.78 0.93 0.00 0.00 0.00 179.25 179.88 3kcq h GLU 162 N 0.65 0.69 -0.29 0.00 3.07 -1.96 -2.40 114.58 114.34 3kcq h GLU 162 Ca 0.51 -0.62 -0.10 0.00 -0.50 0.00 0.00 59.36 58.64 3kcq h GLU 162 Cb 0.92 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 3kcq h GLU 162 CO -0.26 1.22 -0.26 0.66 -1.40 0.00 0.00 179.01 178.97 3kcq h SER 163 N 0.36 0.57 -0.52 1.42 4.64 -1.89 -2.18 113.55 115.95 3kcq h SER 163 Ca -0.07 -0.20 -0.05 0.00 -0.47 0.00 0.00 61.79 60.99 3kcq h SER 163 Cb 1.43 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 3kcq h SER 163 CO 0.16 0.82 0.13 0.25 -0.87 0.00 0.00 176.83 177.32 3kcq h LEU 164 N 0.50 0.79 -0.49 5.97 5.85 -1.34 -2.53 115.31 124.05 3kcq h LEU 164 Ca 0.07 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.65 3kcq h LEU 164 Cb 0.71 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.46 3kcq h LEU 164 CO 0.05 0.81 0.07 0.00 -0.34 0.00 0.00 178.44 179.03 3kcq h ALA 165 N 1.01 0.52 -0.93 1.25 0.00 -1.25 -0.94 119.26 118.92 3kcq h ALA 165 Ca 0.17 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3kcq h ALA 165 Cb 0.33 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3kcq h ALA 165 CO 0.00 -0.34 0.54 0.77 0.00 0.00 0.00 179.25 180.23 3kcq h SER 166 N 0.19 1.13 -0.41 0.00 0.02 -1.22 0.18 113.55 113.44 3kcq h SER 166 Ca 0.25 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.04 3kcq h SER 166 Cb 0.35 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3kcq h SER 166 CO -0.35 0.88 -0.04 -0.09 -1.14 0.00 0.00 176.83 176.09 3kcq h ARG 167 N 1.29 0.83 -0.28 3.45 2.43 -0.99 -0.11 114.38 121.01 3kcq h ARG 167 Ca 0.33 -0.25 -0.16 0.00 -0.81 0.00 0.00 59.98 59.09 3kcq h ARG 167 Cb -0.03 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3kcq h ARG 167 CO -0.06 0.86 -0.47 0.82 -1.51 0.00 0.00 179.97 179.61 3kcq h ILE 168 N 0.77 1.29 -0.66 1.20 2.04 -0.60 -2.71 117.51 118.83 3kcq h ILE 168 Ca 0.14 -1.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.34 3kcq h ILE 168 Cb 0.51 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 3kcq h ILE 168 CO 0.03 0.54 0.39 0.25 0.00 0.00 0.00 178.15 179.35 3kcq h LEU 169 N 0.58 0.80 -0.95 1.44 5.85 -0.41 -0.11 115.31 122.51 3kcq h LEU 169 Ca 0.02 -0.07 0.18 0.00 0.84 0.00 0.00 57.88 58.85 3kcq h LEU 169 Cb 1.07 -0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.79 3kcq h LEU 169 CO 0.11 0.63 0.54 0.00 -0.34 0.00 0.00 178.44 179.39 3kcq h ALA 170 N 1.20 1.54 0.01 1.25 0.00 -0.99 -1.86 119.26 120.39 3kcq h ALA 170 Ca 0.24 0.09 -0.23 0.00 0.00 0.00 0.00 54.91 55.01 3kcq h ALA 170 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3kcq h ALA 170 CO -0.04 -0.08 -0.96 0.00 0.00 0.00 0.00 179.25 178.17 3kcq h ALA 171 N 1.62 0.35 -1.00 0.00 0.00 -1.01 -2.95 119.26 116.29 3kcq h ALA 171 Ca 0.54 -0.72 0.09 0.00 0.00 0.00 0.00 54.91 54.83 3kcq h ALA 171 Cb 0.83 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 3kcq h ALA 171 CO -0.39 0.83 0.64 0.93 0.00 0.00 0.00 179.25 181.26 3kcq h GLU 172 N 0.22 1.06 -0.04 0.00 5.08 -0.45 -1.68 114.58 118.75 3kcq h GLU 172 Ca -0.08 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3kcq h GLU 172 Cb 1.60 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.61 3kcq h GLU 172 CO 0.16 0.70 0.05 0.45 -1.00 0.00 0.00 179.01 179.37 3kcq h HIS 173 N 1.09 0.00 0.09 4.33 3.86 -1.17 -1.75 115.15 121.60 3kcq h HIS 173 Ca 0.46 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 59.31 3kcq h HIS 173 Cb 0.31 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.76 3kcq h HIS 173 CO -0.00 0.00 -1.97 0.28 0.86 0.00 0.00 177.93 177.10 3kcq n VAL 174 N -3.85 1.72 -0.06 2.45 0.31 -0.76 -4.43 118.33 113.71 3kcq n VAL 174 Ca -0.02 -0.56 -0.13 0.00 -0.01 0.00 0.00 64.34 63.61 3kcq n VAL 174 Cb 0.14 -1.74 -0.06 0.00 -0.91 0.00 0.00 33.84 31.26 3kcq n VAL 174 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kcq h TYR 176 N 0.11 -0.45 -0.50 0.00 5.03 -1.56 -0.81 116.97 118.79 3kcq h TYR 176 Ca 0.02 -0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.24 3kcq h TYR 176 Cb 0.76 0.15 -0.02 0.00 1.55 0.00 0.00 36.73 39.17 3kcq h TYR 176 CO 0.08 -0.28 -0.02 -1.35 -1.32 0.00 0.00 178.16 175.28 3kcq h PRO 177 N -0.48 0.86 -0.75 1.82 0.11 -1.77 -0.80 132.00 130.99 3kcq h PRO 177 Ca -0.05 -0.25 0.03 0.00 0.11 0.00 0.00 66.00 65.84 3kcq h PRO 177 Cb 0.37 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.34 3kcq h PRO 177 CO 0.08 0.87 0.48 -0.22 -0.21 0.00 0.00 178.00 179.00 3kcq h LYS 178 N 0.79 0.91 -0.08 1.05 3.64 -1.44 -0.98 116.57 120.47 3kcq h LYS 178 Ca 0.15 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3kcq h LYS 178 Cb 0.51 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3kcq h LYS 178 CO 0.03 0.60 0.05 0.78 -2.27 0.00 0.00 179.45 178.63 3kcq h GLY 179 N 0.93 0.11 1.28 5.01 0.00 -0.47 -2.24 103.07 107.70 3kcq h GLY 179 Ca 0.30 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.53 3kcq h GLY 179 CO -0.11 0.04 0.15 -2.08 0.00 0.00 0.00 176.54 174.54 3kcq h VAL 180 N 0.08 1.23 -0.81 4.60 2.07 -0.86 -2.43 116.25 120.13 3kcq h VAL 180 Ca 0.03 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.73 3kcq h VAL 180 Cb 0.02 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 3kcq h VAL 180 CO -0.01 0.32 0.53 0.50 0.02 0.00 0.00 177.57 178.93 3kcq h LYS 181 N 0.86 1.03 -0.42 1.57 3.64 -0.88 0.17 116.57 122.55 3kcq h LYS 181 Ca 0.19 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 3kcq h LYS 181 Cb 0.30 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3kcq h LYS 181 CO -0.00 0.68 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.74 3kcq h LEU 182 N 1.06 0.68 -0.67 5.20 3.38 -0.95 -0.84 115.31 123.17 3kcq h LEU 182 Ca 0.31 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 3kcq h LEU 182 Cb -0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3kcq h LEU 182 CO -0.08 0.78 -0.01 0.40 0.09 0.00 0.00 178.44 179.62 3kcq h ILE 183 N 0.65 1.26 -0.09 1.22 2.04 -0.97 -1.82 117.51 119.80 3kcq h ILE 183 Ca 0.12 -1.15 -0.14 0.00 1.00 0.00 0.00 64.86 64.69 3kcq h ILE 183 Cb 0.48 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3kcq h ILE 183 CO 0.02 0.41 -0.57 0.00 0.00 0.00 0.00 178.15 178.02 3kcq h ALA 184 N 1.04 0.85 -0.56 1.87 0.00 -0.22 -2.64 119.26 119.60 3kcq h ALA 184 Ca 0.17 -0.52 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 3kcq h ALA 184 Cb 0.56 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 3kcq h ALA 184 CO 0.03 0.71 0.15 0.00 0.00 0.00 0.00 179.25 180.14 3kcq n GLN 185 N -3.91 3.51 -1.86 0.00 10.64 -0.39 -4.82 117.38 120.55 3kcq n GLN 185 Ca -0.02 -2.49 -0.14 0.00 -1.83 0.00 0.00 57.00 52.52 3kcq n GLN 185 Cb 0.60 -2.07 -0.03 0.00 -0.86 0.00 0.00 30.24 27.88 3kcq n GLN 185 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3kcq n ASP 186 N 0.12 -4.53 -0.90 2.61 9.92 -0.99 -4.89 116.55 117.88 3kcq n ASP 186 Ca 0.30 0.16 0.10 0.00 -0.53 0.00 0.00 54.79 54.82 3kcq n ASP 186 Cb 1.14 -3.49 0.13 0.00 -0.64 0.00 0.00 41.12 38.25 3kcq n ASP 186 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3kcq n LYS 187 N -2.47 2.06 -4.17 -1.24 5.02 -0.71 -4.92 118.16 111.73 3kcq n LYS 187 Ca -0.16 -1.90 -0.35 0.00 -2.02 0.00 0.00 58.31 53.88 3kcq n LYS 187 Cb 0.55 -1.42 -0.09 0.00 -0.02 0.00 0.00 35.03 34.06 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 -1.58 4.72 -0.11 -0.18 -1.09 -1.24 -1.25 121.20 120.47 3kcq s ILE 188 Ca 0.28 -0.08 -0.04 0.00 -2.23 0.00 0.00 60.65 58.57 3kcq s ILE 188 Cb 0.18 -3.04 0.06 0.00 -1.58 0.00 0.00 42.46 38.08 3kcq s ILE 188 CO 0.27 0.58 0.23 -0.75 -1.23 0.00 0.00 174.94 174.03 3kcq s LYS 189 N -0.63 0.13 0.01 2.79 2.20 -0.82 -4.99 119.74 118.43 3kcq s LYS 189 Ca 0.11 0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 56.06 3kcq s LYS 189 Cb -0.12 -0.11 -0.03 0.00 -1.51 0.00 0.00 37.83 36.06 3kcq s LYS 189 CO 0.02 -0.26 0.98 -1.17 -0.36 0.00 0.00 175.35 174.57 3kcq s LEU 190 N 2.06 4.39 0.51 5.43 2.96 -1.26 -1.16 118.68 131.60 3kcq s LEU 190 Ca -0.01 1.68 0.05 0.00 -0.22 0.00 0.00 54.13 55.63 3kcq s LEU 190 Cb -0.12 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 43.04 3kcq s LEU 190 CO -0.08 -0.23 0.70 0.00 -1.32 0.00 0.00 176.35 175.41 3kcq h ASP 192 N 0.31 1.11 0.00 0.00 5.19 -1.97 -1.54 116.42 119.51 3kcq h ASP 192 Ca -0.39 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 3kcq h ASP 192 Cb 1.29 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 40.51 3kcq h ASP 192 CO 0.46 0.86 0.00 -0.90 -3.12 0.00 0.00 179.24 176.55 3kcq n ASP 193 N -4.35 0.00 0.00 6.45 5.68 -1.26 -4.87 116.55 118.20 3kcq n ASP 193 Ca 0.10 -1.33 0.00 0.00 -0.50 0.00 0.00 54.79 53.07 3kcq n ASP 193 Cb 0.07 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 3kcq n ASP 193 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kcq n GLY 194 N 0.16 0.81 3.94 6.12 0.00 -0.58 -5.02 105.19 110.63 3kcq n GLY 194 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.37 4.90 -0.01 2.61 -4.23 -1.26 -4.77 115.64 109.51 3kcq s THR 195 Ca 0.00 -0.38 0.02 0.00 -1.18 0.00 0.00 61.69 60.15 3kcq s THR 195 Cb 0.00 -3.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.00 3kcq s THR 195 CO 0.00 -0.56 -0.02 -0.69 -0.54 0.00 0.00 174.62 172.81 3kcq s VAL 196 N -2.41 4.03 0.03 2.29 1.01 -1.26 -0.16 120.40 123.93 3kcq s VAL 196 Ca 0.42 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 3kcq s VAL 196 Cb -0.10 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 3kcq s VAL 196 CO 0.38 0.40 0.08 -1.58 0.00 0.00 0.00 175.10 174.37 3kcq s GLN 197 N -1.46 0.53 -0.16 2.72 2.00 -0.31 -4.96 119.66 118.03 3kcq s GLN 197 Ca 0.18 -0.70 -0.13 0.00 -2.00 0.00 0.00 55.36 52.71 3kcq s GLN 197 Cb -0.11 0.21 -0.05 0.00 0.80 0.00 0.00 33.01 33.86 3kcq s GLN 197 CO 0.09 -0.12 0.27 0.00 -0.50 0.00 0.00 175.29 175.03 3kcq n THR 199 N 3.43 0.00 -3.51 0.00 -2.24 -0.38 -4.93 114.28 106.64 3kcq n THR 199 Ca -0.13 -0.04 -0.23 0.00 -2.27 0.00 0.00 64.05 61.39 3kcq n THR 199 Cb 0.52 0.15 0.01 0.00 -2.10 0.00 0.00 70.33 68.91 3kcq n THR 199 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3kcq s GLY 200 N -2.80 2.10 0.47 3.38 0.00 -1.26 -5.03 107.32 104.18 3kcq s GLY 200 Ca 0.17 -1.68 0.17 0.00 0.00 0.00 0.00 44.72 43.39 3kcq s GLY 200 CO 0.60 -1.80 2.01 0.83 0.00 0.00 0.00 173.10 174.74 3kcq h GLU 201 N 0.59 0.23 -7.24 2.90 5.08 -1.99 -3.44 114.58 110.70 3kcq h GLU 201 Ca -0.35 -0.01 -0.53 0.00 -1.00 0.00 0.00 59.36 57.47 3kcq h GLU 201 Cb 1.29 -0.05 0.18 0.00 0.50 0.00 0.00 28.75 30.67 3kcq h GLU 201 CO 0.51 0.15 0.29 -0.51 -1.00 0.00 0.00 179.01 178.45 3kcq s ASP 202 N -6.35 3.47 0.12 1.42 1.01 -1.26 -5.03 116.67 110.05 3kcq s ASP 202 Ca -0.07 2.22 0.04 0.00 0.71 0.00 0.00 52.55 55.46 3kcq s ASP 202 Cb 0.19 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 3kcq s ASP 202 CO 0.73 -2.74 0.08 -1.61 0.21 0.00 0.00 175.17 171.85 3kcq s GLU 203 N -4.42 2.81 0.00 8.23 8.01 -1.26 -4.91 118.70 127.15 3kcq s GLU 203 Ca 0.69 -0.81 0.24 0.00 0.01 0.00 0.00 54.97 55.10 3kcq s GLU 203 Cb -0.25 -2.65 0.42 0.00 -4.31 0.00 0.00 34.13 27.34 3kcq s GLU 203 CO 0.54 0.52 1.39 1.28 0.01 0.00 0.00 175.26 179.00 3kcq n LEU 204 N 0.13 2.95 -4.62 1.80 4.77 -1.26 -4.89 117.00 115.89 3kcq n LEU 204 Ca -0.09 -1.14 -0.31 0.00 -0.03 0.00 0.00 56.01 54.44 3kcq n LEU 204 Cb 0.53 -0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 3kcq n LEU 204 CO 0.43 0.57 -0.37 0.72 -1.33 0.00 0.00 177.39 177.40 3kcq s PHE 205 N -1.77 2.90 -0.05 -1.77 -0.12 -1.26 -1.26 117.98 114.65 3kcq s PHE 205 Ca 0.34 -0.05 0.01 0.00 -0.05 0.00 0.00 56.93 57.18 3kcq s PHE 205 Cb 0.21 -1.56 0.02 0.00 -0.63 0.00 0.00 43.02 41.06 3kcq s PHE 205 CO 0.31 0.42 -0.07 -0.51 -0.05 0.00 0.00 175.22 175.31 3kcq s LEU 206 N -1.80 1.44 -0.45 -1.99 1.43 0.34 -4.95 118.68 112.70 3kcq s LEU 206 Ca 0.20 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 52.99 3kcq s LEU 206 Cb -0.11 -0.59 0.09 0.00 0.03 0.00 0.00 46.19 45.60 3kcq s LEU 206 CO 0.12 -0.02 0.33 -0.36 0.23 0.00 0.00 176.35 176.64 3kcq s PHE 207 N 0.83 3.31 -0.34 0.29 0.08 -1.26 0.11 117.98 121.00 3kcq s PHE 207 Ca -0.12 -1.37 -0.10 0.00 0.12 0.00 0.00 56.93 55.45 3kcq s PHE 207 Cb -0.15 -3.15 0.01 0.00 -0.57 0.00 0.00 43.02 39.15 3kcq s PHE 207 CO 0.01 -0.86 0.18 -0.65 -0.10 0.00 0.00 175.22 173.80 3kcq s GLN 208 N 1.50 3.14 0.06 0.44 -1.52 -0.57 -4.96 119.66 117.75 3kcq s GLN 208 Ca 0.04 -0.86 0.02 0.00 -1.95 0.00 0.00 55.36 52.61 3kcq s GLN 208 Cb -0.24 -3.64 -0.04 0.00 -0.22 0.00 0.00 33.01 28.87 3kcq s GLN 208 CO 0.03 -0.53 0.08 -1.21 -0.25 0.00 0.00 175.29 173.41 3kcq s GLU 209 N 1.59 2.92 0.00 2.91 2.02 -1.26 -4.20 118.70 122.68 3kcq s GLU 209 Ca 0.04 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.39 3kcq s GLU 209 Cb -0.18 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.30 3kcq s GLU 209 CO 0.07 0.59 0.00 0.09 0.02 0.00 0.00 175.26 176.02