#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 0.45 -2.68 1.64 1.02 -0.63 -4.73 120.64 115.72 3kcq n GLU 4 Ca 0.00 0.12 -0.43 0.00 -0.02 0.00 0.00 57.16 56.83 3kcq n GLU 4 Cb 0.00 -1.35 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 3kcq n GLU 4 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3kcq s LEU 5 N -6.19 4.01 -0.24 -4.62 2.96 -0.76 -4.94 118.68 108.89 3kcq s LEU 5 Ca -0.25 1.12 -0.13 0.00 -0.22 0.00 0.00 54.13 54.65 3kcq s LEU 5 Cb 0.07 -3.49 -0.04 0.00 0.50 0.00 0.00 46.19 43.23 3kcq s LEU 5 CO 0.41 -0.78 0.29 -0.13 -1.32 0.00 0.00 176.35 174.83 3kcq s ARG 6 N 3.42 4.07 -0.09 1.98 1.81 -1.26 -0.36 118.95 128.52 3kcq s ARG 6 Ca 0.43 -0.06 0.03 0.00 -1.72 0.00 0.00 55.73 54.42 3kcq s ARG 6 Cb -0.13 -3.59 -0.01 0.00 -0.45 0.00 0.00 34.95 30.77 3kcq s ARG 6 CO 0.12 -0.10 -0.20 0.08 -0.68 0.00 0.00 175.30 174.52 3kcq s VAL 7 N 1.52 2.50 -0.18 3.52 1.01 0.11 -0.40 120.40 128.48 3kcq s VAL 7 Ca 0.13 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 3kcq s VAL 7 Cb -0.15 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 3kcq s VAL 7 CO 0.08 0.56 0.07 -0.83 0.00 0.00 0.00 175.10 174.98 3kcq s GLY 8 N 0.01 1.93 -0.16 4.51 0.00 -0.67 0.69 107.32 113.62 3kcq s GLY 8 Ca -0.07 -0.74 -0.02 0.00 0.00 0.00 0.00 44.72 43.90 3kcq s GLY 8 CO 0.05 0.03 -0.09 0.14 0.00 0.00 0.00 173.10 173.24 3kcq s VAL 9 N 0.29 3.32 -0.18 1.40 1.01 -0.96 -0.43 120.40 124.85 3kcq s VAL 9 Ca 0.04 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 3kcq s VAL 9 Cb -0.12 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 3kcq s VAL 9 CO -0.00 0.49 0.05 -0.76 0.00 0.00 0.00 175.10 174.88 3kcq s LEU 10 N 0.62 3.74 0.14 3.92 1.02 -0.48 -1.26 118.68 126.37 3kcq s LEU 10 Ca -0.05 0.05 0.01 0.00 0.02 0.00 0.00 54.13 54.16 3kcq s LEU 10 Cb -0.15 -1.94 -0.04 0.00 0.02 0.00 0.00 46.19 44.08 3kcq s LEU 10 CO 0.03 0.17 -0.02 0.27 0.02 0.00 0.00 176.35 176.82 3kcq s ILE 11 N 0.38 0.63 0.00 -0.59 -4.36 -0.48 -0.62 121.20 116.16 3kcq s ILE 11 Ca 0.02 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.46 3kcq s ILE 11 Cb -0.13 -1.92 0.00 0.00 1.25 0.00 0.00 42.46 41.67 3kcq s ILE 11 CO 0.01 -0.65 0.00 -1.20 0.24 0.00 0.00 174.94 173.33 3kcq n SER 12 N -0.14 1.59 0.00 4.36 7.64 -0.92 -3.14 113.62 123.02 3kcq n SER 12 Ca -0.09 -0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 3kcq n SER 12 Cb 0.62 0.33 0.00 0.00 -1.01 0.00 0.00 64.21 64.15 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 0.81 4.61 0.09 0.23 0.00 -1.26 -4.40 105.19 105.27 3kcq n GLY 13 Ca 0.00 -1.24 0.11 0.00 0.00 0.00 0.00 46.02 44.90 3kcq n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcq n ARG 14 N 0.00 0.15 -1.66 1.61 1.74 -1.26 -1.42 116.66 115.82 3kcq n ARG 14 Ca 0.00 0.31 -0.00 0.00 -0.77 0.00 0.00 57.85 57.38 3kcq n ARG 14 Cb 0.00 -1.75 -0.00 0.00 -1.02 0.00 0.00 32.46 29.69 3kcq n ARG 14 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kcq n GLY 15 N 0.42 0.37 0.07 -0.13 0.00 -1.26 -2.59 105.19 102.07 3kcq n GLY 15 Ca 0.04 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 0.02 -0.16 1.61 0.87 -1.93 0.23 113.55 114.20 3kcq h SER 16 Ca -0.01 0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.46 3kcq h SER 16 Cb 0.67 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 3kcq h SER 16 CO 0.01 0.03 -0.26 0.78 -0.53 0.00 0.00 176.83 176.86 3kcq h ASN 17 N 0.07 0.63 -0.46 6.23 2.35 -1.93 -1.92 115.58 120.56 3kcq h ASN 17 Ca 0.05 -0.23 0.05 0.00 -0.55 0.00 0.00 56.30 55.62 3kcq h ASN 17 Cb 0.03 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.18 3kcq h ASN 17 CO -0.06 0.87 0.19 0.25 -1.65 0.00 0.00 177.43 177.04 3kcq h LEU 18 N 0.54 0.24 -0.35 1.61 5.85 -1.78 -0.62 115.31 120.80 3kcq h LEU 18 Ca 0.07 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3kcq h LEU 18 Cb 0.73 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 3kcq h LEU 18 CO 0.06 0.17 0.23 -0.08 -0.34 0.00 0.00 178.44 178.48 3kcq h GLU 19 N 0.39 0.45 -0.92 1.25 4.81 -0.19 0.99 114.58 121.35 3kcq h GLU 19 Ca 0.21 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3kcq h GLU 19 Cb 0.17 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.41 3kcq h GLU 19 CO -0.19 0.30 0.61 0.00 -0.73 0.00 0.00 179.01 179.00 3kcq h ALA 20 N 1.14 1.17 -0.19 2.92 0.00 -1.05 -0.85 119.26 122.41 3kcq h ALA 20 Ca 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3kcq h ALA 20 Cb -0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3kcq h ALA 20 CO -0.04 0.58 -0.02 -0.07 0.00 0.00 0.00 179.25 179.70 3kcq h LEU 21 N 1.26 0.35 -0.73 0.00 3.38 -0.52 -1.81 115.31 117.23 3kcq h LEU 21 Ca 0.34 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3kcq h LEU 21 Cb -0.14 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3kcq h LEU 21 CO -0.07 0.60 0.22 0.00 0.09 0.00 0.00 178.44 179.28 3kcq h ALA 22 N 0.76 0.95 -0.58 1.53 0.00 -0.64 -1.01 119.26 120.28 3kcq h ALA 22 Ca 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3kcq h ALA 22 Cb 0.43 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3kcq h ALA 22 CO 0.01 0.64 0.26 -0.22 0.00 0.00 0.00 179.25 179.94 3kcq h LYS 23 N 1.08 0.84 -0.66 0.00 3.64 -1.16 -1.43 116.57 118.87 3kcq h LYS 23 Ca 0.23 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3kcq h LYS 23 Cb 0.31 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 3kcq h LYS 23 CO -0.01 0.70 0.28 0.00 -2.27 0.00 0.00 179.45 178.15 3kcq h ALA 24 N 1.10 1.24 -0.03 5.00 0.00 -0.88 -3.25 119.26 122.44 3kcq h ALA 24 Ca 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kcq h ALA 24 Cb 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3kcq h ALA 24 CO -0.02 0.56 -0.06 1.19 0.00 0.00 0.00 179.25 180.92 3kcq n PHE 25 N -4.31 0.00 0.22 0.00 3.72 -0.42 -4.41 117.46 112.26 3kcq n PHE 25 Ca 0.06 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.57 3kcq n PHE 25 Cb 0.16 0.00 0.35 0.00 -0.94 0.00 0.00 39.48 39.06 3kcq n PHE 25 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3kcq h SER 26 N 4.28 0.00 -2.43 4.37 4.64 -1.29 -3.43 113.55 119.68 3kcq h SER 26 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 3kcq h SER 26 Cb 0.94 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.15 3kcq h SER 26 CO 0.00 0.13 0.02 0.35 -0.87 0.00 0.00 176.83 176.46 3kcq n THR 27 N -3.19 2.04 0.31 2.95 -2.24 -1.26 -4.84 114.28 108.05 3kcq n THR 27 Ca 0.02 -0.50 0.19 0.00 -2.27 0.00 0.00 64.05 61.49 3kcq n THR 27 Cb 0.48 -0.89 0.99 0.00 -2.10 0.00 0.00 70.33 68.81 3kcq n THR 27 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3kcq h GLU 28 N 1.70 0.00 -0.76 -0.78 9.09 -1.98 -1.66 114.58 120.19 3kcq h GLU 28 Ca -0.39 0.00 -0.37 0.00 0.05 0.00 0.00 59.36 58.65 3kcq h GLU 28 Cb 1.35 0.00 -0.22 0.00 -1.65 0.00 0.00 28.75 28.24 3kcq h GLU 28 CO 0.59 0.02 0.37 -0.85 0.05 0.00 0.00 179.01 179.19 3kcq n GLU 29 N -3.24 2.35 -3.09 1.06 -0.00 -1.26 -5.03 120.64 111.42 3kcq n GLU 29 Ca -0.02 -3.07 -0.38 0.00 -0.00 0.00 0.00 57.16 53.69 3kcq n GLU 29 Cb 0.15 -2.07 -0.06 0.00 -0.00 0.00 0.00 31.44 29.46 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 -1.65 7.18 0.32 -1.84 0.15 -0.63 -4.97 113.70 112.27 3kcq s SER 30 Ca 0.53 1.47 0.24 0.00 0.70 0.00 0.00 55.95 58.89 3kcq s SER 30 Cb 0.45 -2.44 0.50 0.00 -1.71 0.00 0.00 66.02 62.82 3kcq s SER 30 CO 0.08 0.14 1.63 0.77 1.20 0.00 0.00 173.24 177.06 3kcq h SER 31 N 3.95 0.00 -3.47 5.45 4.64 -1.91 -3.35 113.55 118.87 3kcq h SER 31 Ca -0.48 -0.01 -0.67 0.00 -0.47 0.00 0.00 61.79 60.16 3kcq h SER 31 Cb 1.20 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.10 3kcq h SER 31 CO 0.65 0.01 -0.67 -0.69 -0.87 0.00 0.00 176.83 175.26 3kcq s VAL 32 N -3.17 3.87 -0.09 0.95 1.01 -1.26 -1.60 120.40 120.11 3kcq s VAL 32 Ca 0.08 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.71 3kcq s VAL 32 Cb 0.09 -2.63 -0.00 0.00 0.00 0.00 0.00 36.38 33.83 3kcq s VAL 32 CO 0.65 0.56 -0.24 -0.69 0.00 0.00 0.00 175.10 175.38 3kcq s VAL 33 N -0.42 2.07 -0.39 2.92 1.01 0.52 -4.84 120.40 121.27 3kcq s VAL 33 Ca 0.07 -1.03 -0.20 0.00 0.00 0.00 0.00 61.98 60.81 3kcq s VAL 33 Cb -0.12 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.50 3kcq s VAL 33 CO 0.02 0.56 0.64 -0.63 0.00 0.00 0.00 175.10 175.69 3kcq s ILE 34 N 0.18 4.87 -0.05 2.22 1.01 -1.26 -0.71 121.20 127.46 3kcq s ILE 34 Ca -0.14 0.39 0.13 0.00 0.00 0.00 0.00 60.65 61.03 3kcq s ILE 34 Cb -0.17 -4.12 -0.20 0.00 0.01 0.00 0.00 42.46 37.98 3kcq s ILE 34 CO 0.07 -0.42 0.77 -1.28 0.00 0.00 0.00 174.94 174.08 3kcq h SER 35 N 8.63 0.00 -4.95 3.58 0.87 -0.08 -3.47 113.55 118.14 3kcq h SER 35 Ca -0.26 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.34 3kcq h SER 35 Cb 1.11 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 62.95 3kcq h SER 35 CO 0.86 0.89 0.30 0.00 -0.53 0.00 0.00 176.83 178.34 3kcq s VAL 37 N -3.61 0.43 -0.09 0.00 1.01 -0.29 -2.27 120.40 115.59 3kcq s VAL 37 Ca 0.04 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.89 3kcq s VAL 37 Cb -0.02 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 35.95 3kcq s VAL 37 CO -0.08 0.17 -0.10 -0.63 0.00 0.00 0.00 175.10 174.46 3kcq s ILE 38 N 0.45 1.07 0.04 2.22 1.01 -0.39 -0.89 121.20 124.70 3kcq s ILE 38 Ca -0.05 -0.38 0.07 0.00 0.00 0.00 0.00 60.65 60.29 3kcq s ILE 38 Cb -0.09 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 3kcq s ILE 38 CO -0.00 0.36 -0.16 -0.55 0.00 0.00 0.00 174.94 174.59 3kcq s SER 39 N 1.19 3.95 -0.10 3.58 0.15 0.29 -1.38 113.70 121.38 3kcq s SER 39 Ca -0.05 -0.39 0.10 0.00 0.70 0.00 0.00 55.95 56.32 3kcq s SER 39 Cb -0.14 -0.69 0.48 0.00 -1.71 0.00 0.00 66.02 63.96 3kcq s SER 39 CO -0.03 0.25 1.29 -0.46 1.20 0.00 0.00 173.24 175.50 3kcq n ASN 40 N 1.48 3.51 -3.66 5.45 6.94 -1.19 -1.17 115.26 126.62 3kcq n ASN 40 Ca -0.16 -2.41 -0.17 0.00 -0.02 0.00 0.00 54.58 51.82 3kcq n ASN 40 Cb 0.52 -0.53 -0.15 0.00 -2.36 0.00 0.00 39.78 37.26 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 -0.63 0.82 0.00 0.53 2.47 -1.26 -4.46 114.94 112.41 3kcq s ASN 41 Ca 0.33 0.28 0.14 0.00 0.42 0.00 0.00 52.86 54.03 3kcq s ASN 41 Cb 0.23 0.28 0.66 0.00 -1.45 0.00 0.00 41.25 40.97 3kcq s ASN 41 CO 0.13 -0.25 1.42 0.00 -3.72 0.00 0.00 177.10 174.68 3kcq n ALA 42 N 5.32 1.73 -0.10 1.71 0.00 -1.26 -2.94 120.51 124.97 3kcq n ALA 42 Ca -0.05 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.39 3kcq n ALA 42 Cb 0.50 -1.23 0.13 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.40 2.65 -2.02 0.00 -0.58 -1.26 -5.00 120.64 113.04 3kcq n GLU 43 Ca 0.05 -1.91 -0.43 0.00 -0.42 0.00 0.00 57.16 54.45 3kcq n GLU 43 Cb 0.14 -1.24 -0.03 0.00 -0.57 0.00 0.00 31.44 29.75 3kcq n GLU 43 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kcq s ALA 44 N -0.98 3.10 0.61 0.62 0.00 -1.15 -4.87 121.76 119.08 3kcq s ALA 44 Ca 0.20 0.45 0.32 0.00 0.00 0.00 0.00 51.96 52.93 3kcq s ALA 44 Cb 0.11 -3.93 1.86 0.00 0.00 0.00 0.00 23.12 21.16 3kcq s ALA 44 CO 0.14 -2.24 2.21 0.00 0.00 0.00 0.00 175.76 175.87 3kcq h ARG 45 N 11.79 0.00 -0.20 0.00 3.08 -1.78 -0.39 114.38 126.88 3kcq h ARG 45 Ca -0.35 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.76 3kcq h ARG 45 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 3kcq h ARG 45 CO 1.01 0.00 0.24 0.78 -1.07 0.00 0.00 179.97 180.93 3kcq h GLY 46 N 0.00 0.00 1.16 0.04 0.00 -0.97 -1.34 103.07 101.95 3kcq h GLY 46 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 3kcq h GLY 46 CO -0.00 0.00 0.42 1.41 0.00 0.00 0.00 176.54 178.37 3kcq h LEU 47 N 0.00 0.98 -0.60 3.11 3.38 -1.31 -1.55 115.31 119.32 3kcq h LEU 47 Ca 0.09 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 3kcq h LEU 47 Cb 0.58 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3kcq h LEU 47 CO -0.00 0.80 -0.67 -0.07 0.09 0.00 0.00 178.44 178.58 3kcq h LEU 48 N 1.10 0.18 -0.55 1.67 3.38 -1.43 -2.62 115.31 117.05 3kcq h LEU 48 Ca 0.28 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3kcq h LEU 48 Cb 0.04 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3kcq h LEU 48 CO -0.04 0.80 0.25 0.40 0.09 0.00 0.00 178.44 179.93 3kcq h ILE 49 N 0.11 1.21 -0.47 1.22 2.04 -1.35 -2.20 117.51 118.06 3kcq h ILE 49 Ca -0.01 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 3kcq h ILE 49 Cb 1.20 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 3kcq h ILE 49 CO 0.10 0.24 0.20 0.00 0.00 0.00 0.00 178.15 178.69 3kcq h ALA 50 N 1.09 0.61 -0.44 1.87 0.00 -1.13 -2.34 119.26 118.92 3kcq h ALA 50 Ca 0.19 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3kcq h ALA 50 Cb 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3kcq h ALA 50 CO -0.02 0.20 0.03 1.96 0.00 0.00 0.00 179.25 181.42 3kcq h GLN 51 N 0.62 0.70 0.00 0.00 4.20 -1.42 -1.08 115.11 118.13 3kcq h GLN 51 Ca 0.16 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3kcq h GLN 51 Cb 0.17 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 3kcq h GLN 51 CO -0.02 0.69 -0.10 0.66 -0.67 0.00 0.00 178.83 179.40 3kcq h SER 52 N 0.66 0.00 -0.42 1.46 4.64 -0.85 -0.48 113.55 118.57 3kcq h SER 52 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3kcq h SER 52 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3kcq h SER 52 CO 0.01 0.10 0.00 -1.22 -0.87 0.00 0.00 176.83 174.85 3kcq n TYR 53 N -3.61 0.55 -1.41 4.77 4.01 -0.84 -4.93 117.16 115.70 3kcq n TYR 53 Ca -0.02 -0.28 -0.13 0.00 -0.16 0.00 0.00 57.90 57.32 3kcq n TYR 53 Cb 0.22 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.20 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 1.22 1.33 3.69 2.72 0.00 -0.19 -5.01 105.19 108.95 3kcq n GLY 54 Ca 0.15 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.49 5.08 0.47 -0.61 1.01 -0.47 -5.00 121.20 119.19 3kcq s ILE 55 Ca 0.00 1.20 -0.23 0.00 0.00 0.00 0.00 60.65 61.61 3kcq s ILE 55 Cb 0.00 -3.94 -0.07 0.00 0.01 0.00 0.00 42.46 38.46 3kcq s ILE 55 CO 0.00 0.21 1.25 -2.84 0.00 0.00 0.00 174.94 173.56 3kcq s PRO 56 N 1.21 3.65 0.12 2.79 0.02 -1.26 -4.00 135.00 137.52 3kcq s PRO 56 Ca 0.31 1.98 0.07 0.00 0.02 0.00 0.00 61.00 63.38 3kcq s PRO 56 Cb -0.16 -2.45 -0.04 0.00 0.02 0.00 0.00 34.50 31.87 3kcq s PRO 56 CO 0.13 -0.70 -0.18 0.95 -0.33 0.00 0.00 177.00 176.87 3kcq s THR 57 N -1.41 1.58 -0.05 0.99 -4.23 -1.26 -1.14 115.64 110.12 3kcq s THR 57 Ca 0.64 -1.63 -0.07 0.00 -1.18 0.00 0.00 61.69 59.45 3kcq s THR 57 Cb -0.34 -1.55 0.01 0.00 1.34 0.00 0.00 72.50 71.97 3kcq s THR 57 CO 0.41 -0.21 0.18 -0.36 -0.54 0.00 0.00 174.62 174.10 3kcq s PHE 58 N -1.57 -0.13 -0.10 3.99 0.08 -0.07 -4.96 117.98 115.21 3kcq s PHE 58 Ca 0.08 0.31 0.03 0.00 0.12 0.00 0.00 56.93 57.48 3kcq s PHE 58 Cb -0.08 0.04 0.00 0.00 -0.57 0.00 0.00 43.02 42.41 3kcq s PHE 58 CO 0.04 -0.16 -0.22 0.08 -0.10 0.00 0.00 175.22 174.86 3kcq s VAL 59 N -0.38 1.94 0.21 -0.44 1.01 -1.26 -0.55 120.40 120.93 3kcq s VAL 59 Ca -0.05 -0.94 0.11 0.00 0.00 0.00 0.00 61.98 61.10 3kcq s VAL 59 Cb -0.03 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3kcq s VAL 59 CO 0.01 0.53 -0.19 0.68 0.00 0.00 0.00 175.10 176.13 3kcq s VAL 60 N 0.48 2.63 0.54 2.92 -7.23 -0.32 -4.97 120.40 114.44 3kcq s VAL 60 Ca -0.16 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 57.80 3kcq s VAL 60 Cb -0.17 -2.30 -0.05 0.00 0.56 0.00 0.00 36.38 34.42 3kcq s VAL 60 CO 0.06 -0.17 1.31 -0.54 -0.31 0.00 0.00 175.10 175.45 3kcq s LYS 61 N -2.89 3.21 -0.24 4.82 1.02 -1.26 -4.41 119.74 119.99 3kcq s LYS 61 Ca 0.24 2.11 -0.08 0.00 0.02 0.00 0.00 55.97 58.26 3kcq s LYS 61 Cb -0.08 -2.24 -0.16 0.00 -0.52 0.00 0.00 37.83 34.83 3kcq s LYS 61 CO 0.12 -1.09 -0.16 -2.13 -0.92 0.00 0.00 175.35 171.18 3kcq n ARG 62 N -1.01 0.63 -3.67 1.68 0.63 -1.26 -1.82 116.66 111.84 3kcq n ARG 62 Ca 0.10 0.25 -0.29 0.00 -0.92 0.00 0.00 57.85 56.99 3kcq n ARG 62 Cb 0.46 -1.56 -0.15 0.00 0.45 0.00 0.00 32.46 31.66 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 -2.50 0.52 0.49 -0.14 1.02 -1.26 -1.34 119.74 116.54 3kcq s LYS 63 Ca -0.34 -0.81 -0.20 0.00 0.02 0.00 0.00 55.97 54.63 3kcq s LYS 63 Cb 0.11 -1.72 -0.08 0.00 -0.52 0.00 0.00 37.83 35.62 3kcq s LYS 63 CO 0.58 -0.96 1.05 -1.25 -0.92 0.00 0.00 175.35 173.85 3kcq s PRO 64 N 1.81 3.73 -0.03 -1.68 0.04 -1.26 -5.08 135.00 132.54 3kcq s PRO 64 Ca 0.08 1.40 -0.35 0.00 0.04 0.00 0.00 61.00 62.18 3kcq s PRO 64 Cb -0.17 -2.08 -0.13 0.00 0.04 0.00 0.00 34.50 32.16 3kcq s PRO 64 CO -0.27 -0.50 1.74 -0.11 0.04 0.00 0.00 177.00 177.90 3kcq n LEU 65 N -1.01 3.10 -4.58 -3.56 7.94 -0.45 -4.84 117.00 113.60 3kcq n LEU 65 Ca 0.10 1.03 -0.43 0.00 -1.11 0.00 0.00 56.01 55.59 3kcq n LEU 65 Cb 0.52 -1.35 -0.00 0.00 0.53 0.00 0.00 43.42 43.12 3kcq n LEU 65 CO 0.40 -0.24 1.94 -0.62 -1.11 0.00 0.00 177.39 177.77 3kcq s ASP 66 N 2.84 6.83 0.28 1.96 -1.08 -0.76 -4.81 116.67 121.93 3kcq s ASP 66 Ca 0.89 -2.40 0.07 0.00 -0.52 0.00 0.00 52.55 50.58 3kcq s ASP 66 Cb -0.75 -2.58 0.41 0.00 -1.46 0.00 0.00 42.92 38.54 3kcq s ASP 66 CO 0.49 -1.18 1.66 0.16 0.52 0.00 0.00 175.17 176.82 3kcq h ILE 67 N 5.62 1.35 -0.21 4.11 3.07 -1.90 -2.29 117.51 127.26 3kcq h ILE 67 Ca 0.43 -1.72 -0.15 0.00 1.55 0.00 0.00 64.86 64.98 3kcq h ILE 67 Cb 0.88 1.85 -0.01 0.00 -0.27 0.00 0.00 36.82 39.27 3kcq h ILE 67 CO 1.45 0.51 -0.48 -0.33 -1.05 0.00 0.00 178.15 178.25 3kcq h GLU 68 N 0.14 0.57 -0.37 0.16 4.39 -1.99 0.29 114.58 117.78 3kcq h GLU 68 Ca 0.01 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.37 3kcq h GLU 68 Cb 0.93 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.58 3kcq h GLU 68 CO 0.07 0.93 0.21 1.25 -1.16 0.00 0.00 179.01 180.31 3kcq h HIS 69 N 0.45 0.49 0.02 4.33 2.76 -1.93 -0.72 115.15 120.55 3kcq h HIS 69 Ca 0.02 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.21 3kcq h HIS 69 Cb 1.01 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.78 3kcq h HIS 69 CO 0.04 0.38 -0.20 0.82 -1.30 0.00 0.00 177.93 177.66 3kcq h ILE 70 N 0.47 0.52 -0.37 6.26 2.04 -0.96 -1.96 117.51 123.51 3kcq h ILE 70 Ca 0.13 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.95 3kcq h ILE 70 Cb 0.04 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3kcq h ILE 70 CO -0.02 0.00 0.05 0.28 0.00 0.00 0.00 178.15 178.46 3kcq h SER 71 N -0.34 0.52 -0.11 1.72 0.02 -0.81 -1.94 113.55 112.62 3kcq h SER 71 Ca 0.05 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3kcq h SER 71 Cb 0.40 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 3kcq h SER 71 CO -0.18 0.56 0.02 0.74 -1.14 0.00 0.00 176.83 176.84 3kcq h THR 72 N 0.55 1.21 -0.33 -2.27 2.02 -0.92 0.15 112.91 113.32 3kcq h THR 72 Ca 0.12 -0.64 0.07 0.00 0.77 0.00 0.00 66.41 66.73 3kcq h THR 72 Cb 0.28 1.43 -0.07 0.00 -1.74 0.00 0.00 68.15 68.04 3kcq h THR 72 CO 0.00 0.19 -0.13 0.58 0.37 0.00 0.00 175.52 176.52 3kcq h VAL 73 N -0.04 0.56 -0.26 3.16 2.07 -1.13 -1.66 116.25 118.96 3kcq h VAL 73 Ca 0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 3kcq h VAL 73 Cb 0.27 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3kcq h VAL 73 CO 0.00 0.00 0.14 -0.07 0.02 0.00 0.00 177.57 177.66 3kcq h LEU 74 N -0.07 0.33 -0.91 2.57 3.38 -1.19 -1.75 115.31 117.66 3kcq h LEU 74 Ca 0.17 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3kcq h LEU 74 Cb 0.33 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3kcq h LEU 74 CO -0.38 0.33 0.52 0.03 0.09 0.00 0.00 178.44 179.03 3kcq h ARG 75 N 0.30 1.25 0.00 1.13 3.08 -0.78 -2.42 114.38 116.95 3kcq h ARG 75 Ca 0.09 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3kcq h ARG 75 Cb 0.07 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.87 3kcq h ARG 75 CO -0.01 0.90 0.00 0.39 -1.07 0.00 0.00 179.97 180.17 3kcq n GLU 76 N -4.35 0.14 -0.55 0.04 1.02 -0.64 -1.97 120.64 114.32 3kcq n GLU 76 Ca 0.10 0.21 0.08 0.00 -0.02 0.00 0.00 57.16 57.53 3kcq n GLU 76 Cb 0.08 -1.69 0.30 0.00 -0.02 0.00 0.00 31.44 30.10 3kcq n GLU 76 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3kcq n HIS 77 N -1.94 1.24 -3.27 -0.32 8.25 -0.69 -4.99 115.22 113.51 3kcq n HIS 77 Ca 0.05 -0.76 -0.23 0.00 -0.26 0.00 0.00 57.72 56.52 3kcq n HIS 77 Cb 0.32 -0.32 0.05 0.00 1.12 0.00 0.00 29.99 31.16 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 0.14 -6.13 -4.73 0.41 8.00 -0.83 -4.87 116.55 108.54 3kcq n ASP 78 Ca 0.22 -0.40 -0.42 0.00 0.71 0.00 0.00 54.79 54.91 3kcq n ASP 78 Cb 0.91 -4.90 -0.03 0.00 -0.02 0.00 0.00 41.12 37.08 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 -3.23 3.43 -0.12 2.53 1.01 -0.95 -4.74 120.40 118.33 3kcq s VAL 79 Ca 0.42 1.10 0.14 0.00 0.00 0.00 0.00 61.98 63.64 3kcq s VAL 79 Cb -0.19 -3.70 -0.24 0.00 0.00 0.00 0.00 36.38 32.25 3kcq s VAL 79 CO 0.52 0.12 0.36 0.47 0.00 0.00 0.00 175.10 176.58 3kcq n ASP 80 N 3.30 0.53 -3.72 3.32 8.00 0.47 -4.93 116.55 123.52 3kcq n ASP 80 Ca 0.08 0.21 -0.17 0.00 0.71 0.00 0.00 54.79 55.62 3kcq n ASP 80 Cb 0.43 0.40 -0.17 0.00 -0.02 0.00 0.00 41.12 41.77 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 -5.85 0.55 -0.34 0.64 2.96 -0.80 -4.87 118.68 110.98 3kcq s LEU 81 Ca -0.08 0.11 -0.16 0.00 -0.22 0.00 0.00 54.13 53.78 3kcq s LEU 81 Cb 0.07 -0.02 -0.01 0.00 0.50 0.00 0.00 46.19 46.73 3kcq s LEU 81 CO 0.82 -0.19 0.38 -0.69 -1.32 0.00 0.00 176.35 175.35 3kcq s VAL 82 N 1.64 5.15 -0.28 1.68 1.01 0.41 -1.68 120.40 128.33 3kcq s VAL 82 Ca -0.02 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 3kcq s VAL 82 Cb -0.12 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.45 3kcq s VAL 82 CO -0.04 -0.09 0.01 0.00 0.00 0.00 0.00 175.10 174.99 3kcq s LEU 84 N 1.39 4.38 -0.43 0.00 1.43 -0.52 -1.38 118.68 123.56 3kcq s LEU 84 Ca 0.00 1.46 0.03 0.00 -1.03 0.00 0.00 54.13 54.60 3kcq s LEU 84 Cb -0.17 -3.32 0.16 0.00 0.03 0.00 0.00 46.19 42.88 3kcq s LEU 84 CO -0.01 -0.13 0.32 0.00 0.23 0.00 0.00 176.35 176.77 3kcq s ALA 85 N 0.58 1.57 -0.38 4.21 0.00 0.21 -3.71 121.76 124.24 3kcq s ALA 85 Ca 0.43 -2.47 0.00 0.00 0.00 0.00 0.00 51.96 49.92 3kcq s ALA 85 Cb -0.20 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.26 3kcq s ALA 85 CO 0.24 -2.02 0.00 0.41 0.00 0.00 0.00 175.76 174.39 3kcq n GLY 86 N 3.04 0.23 3.66 0.00 0.00 -1.26 -4.36 105.19 106.50 3kcq n GLY 86 Ca 0.24 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.21 3.37 -0.88 1.61 5.36 -1.26 -2.18 117.98 121.80 3kcq s PHE 87 Ca 0.00 1.40 -0.03 0.00 -0.96 0.00 0.00 56.93 57.33 3kcq s PHE 87 Cb 0.00 -3.18 0.22 0.00 -0.34 0.00 0.00 43.02 39.72 3kcq s PHE 87 CO 0.00 -0.39 0.78 -1.64 -1.46 0.00 0.00 175.22 172.51 3kcq s MET 88 N 2.78 3.32 -0.28 10.12 -1.94 -1.26 -4.92 119.30 127.12 3kcq s MET 88 Ca 0.42 -3.13 -0.14 0.00 -1.71 0.00 0.00 55.69 51.13 3kcq s MET 88 Cb -0.16 -4.03 0.09 0.00 2.01 0.00 0.00 34.83 32.74 3kcq s MET 88 CO 0.09 -1.25 0.66 -1.12 -0.01 0.00 0.00 175.02 173.39 3kcq s SER 89 N 0.27 -0.95 0.08 3.03 0.01 -1.26 -5.03 113.70 109.85 3kcq s SER 89 Ca 0.26 1.49 -0.37 0.00 1.31 0.00 0.00 55.95 58.64 3kcq s SER 89 Cb -0.09 1.55 -0.17 0.00 0.21 0.00 0.00 66.02 67.51 3kcq s SER 89 CO -0.10 -0.23 1.32 -0.38 0.41 0.00 0.00 173.24 174.26 3kcq n ILE 90 N 4.57 0.02 -3.10 1.44 -0.00 -1.26 -4.95 119.36 116.08 3kcq n ILE 90 Ca -0.18 -0.00 -0.41 0.00 -0.00 0.00 0.00 62.75 62.15 3kcq n ILE 90 Cb 0.56 -0.78 -0.06 0.00 -0.00 0.00 0.00 39.64 39.36 3kcq n ILE 90 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 3kcq s LEU 91 N 0.47 4.11 0.56 1.39 1.43 -1.26 -4.97 118.68 120.41 3kcq s LEU 91 Ca 0.84 0.54 -0.21 0.00 -1.03 0.00 0.00 54.13 54.28 3kcq s LEU 91 Cb -0.97 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 3kcq s LEU 91 CO 0.47 -0.45 1.29 -2.84 0.23 0.00 0.00 176.35 175.05 3kcq s PRO 92 N 2.60 3.10 0.49 1.29 0.02 -1.26 -4.78 135.00 136.46 3kcq s PRO 92 Ca 0.26 2.06 0.21 0.00 0.02 0.00 0.00 61.00 63.55 3kcq s PRO 92 Cb -0.15 -2.15 1.25 0.00 0.02 0.00 0.00 34.50 33.47 3kcq s PRO 92 CO 0.11 -1.17 1.98 1.05 -0.33 0.00 0.00 177.00 178.64 3kcq h GLU 93 N 1.28 0.16 -0.20 5.54 4.11 -1.96 -1.65 114.58 121.87 3kcq h GLU 93 Ca -0.51 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 58.90 3kcq h GLU 93 Cb 1.30 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 3kcq h GLU 93 CO 0.57 0.11 0.06 -0.22 0.07 0.00 0.00 179.01 179.59 3kcq h LYS 94 N 0.16 0.30 -0.33 1.06 3.64 -1.99 -1.11 116.57 118.30 3kcq h LYS 94 Ca 0.27 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.65 3kcq h LYS 94 Cb 0.84 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.55 3kcq h LYS 94 CO -0.04 0.40 -0.07 0.35 -2.27 0.00 0.00 179.45 177.82 3kcq h PHE 95 N 0.15 -0.15 0.00 1.91 3.57 -1.67 0.14 116.94 120.89 3kcq h PHE 95 Ca 0.06 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 3kcq h PHE 95 Cb 0.22 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 3kcq h PHE 95 CO -0.00 -0.13 -0.09 0.28 -2.23 0.00 0.00 178.31 176.14 3kcq h VAL 96 N 0.01 0.81 -0.02 1.41 2.07 -1.10 -1.73 116.25 117.70 3kcq h VAL 96 Ca 0.16 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 3kcq h VAL 96 Cb 0.24 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3kcq h VAL 96 CO -0.33 0.09 -0.19 0.74 0.02 0.00 0.00 177.57 177.90 3kcq h THR 97 N 0.00 1.51 -0.75 2.57 2.02 -0.59 -2.97 112.91 114.70 3kcq h THR 97 Ca -0.00 -1.76 0.08 0.00 0.77 0.00 0.00 66.41 65.50 3kcq h THR 97 Cb 0.19 2.58 -0.05 0.00 -1.74 0.00 0.00 68.15 69.13 3kcq h THR 97 CO 0.01 0.48 0.49 0.44 0.37 0.00 0.00 175.52 177.32 3kcq h ASP 98 N -0.45 0.65 -0.90 4.18 3.32 -0.04 -1.63 116.42 121.56 3kcq h ASP 98 Ca -0.02 0.01 -0.62 0.00 0.02 0.00 0.00 57.03 56.42 3kcq h ASP 98 Cb 0.89 -0.13 -0.35 0.00 0.22 0.00 0.00 39.33 39.96 3kcq h ASP 98 CO 0.04 0.40 0.14 0.79 -1.72 0.00 0.00 179.24 178.89 3kcq n TRP 99 N -4.49 3.03 -1.41 4.55 7.02 -0.72 -5.06 117.44 120.36 3kcq n TRP 99 Ca 0.12 -2.68 -0.62 0.00 -1.02 0.00 0.00 57.50 53.30 3kcq n TRP 99 Cb 0.28 -0.97 -0.11 0.00 -2.42 0.00 0.00 31.31 28.10 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 -0.83 1.36 -0.95 -5.99 -0.00 -0.62 -1.04 115.22 107.16 3kcq n HIS 100 Ca 0.55 0.89 0.00 0.00 0.46 0.00 0.00 57.72 59.62 3kcq n HIS 100 Cb 0.79 -2.22 0.00 0.00 -0.12 0.00 0.00 29.99 28.44 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 6.06 0.00 -0.38 1.57 8.25 -1.26 -4.85 115.22 124.61 3kcq n HIS 101 Ca 0.45 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.96 3kcq n HIS 101 Cb -0.05 -1.03 0.14 0.00 1.12 0.00 0.00 29.99 30.18 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 -1.07 2.78 -5.23 -0.41 5.02 -0.21 -4.97 118.16 114.07 3kcq n LYS 102 Ca 0.00 -2.14 -0.32 0.00 -2.02 0.00 0.00 58.31 53.83 3kcq n LYS 102 Cb 0.22 -1.35 -0.17 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.53 2.06 0.26 -0.18 1.01 -1.25 -0.45 121.20 121.12 3kcq s ILE 103 Ca 0.23 -1.03 0.09 0.00 0.00 0.00 0.00 60.65 59.93 3kcq s ILE 103 Cb 0.15 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 3kcq s ILE 103 CO 0.10 0.56 -0.13 0.27 0.00 0.00 0.00 174.94 175.74 3kcq s ILE 104 N 0.18 1.96 -0.02 2.92 -4.36 -0.55 -1.01 121.20 120.32 3kcq s ILE 104 Ca -0.14 -2.24 -0.06 0.00 -0.26 0.00 0.00 60.65 57.96 3kcq s ILE 104 Cb -0.17 -2.30 0.01 0.00 1.25 0.00 0.00 42.46 41.25 3kcq s ILE 104 CO 0.07 -0.41 0.13 0.21 0.24 0.00 0.00 174.94 175.18 3kcq s ASN 105 N -3.44 -0.04 -0.31 4.36 2.47 -0.14 -1.43 114.94 116.41 3kcq s ASN 105 Ca 0.28 0.02 -0.09 0.00 0.42 0.00 0.00 52.86 53.48 3kcq s ASN 105 Cb -0.00 0.24 -0.01 0.00 -1.45 0.00 0.00 41.25 40.03 3kcq s ASN 105 CO 0.12 -0.20 0.15 -0.51 -3.72 0.00 0.00 177.10 172.93 3kcq s ILE 106 N -0.66 4.59 -0.10 -5.21 1.10 -1.24 -1.35 121.20 118.34 3kcq s ILE 106 Ca -0.07 -0.39 -0.01 0.00 -0.51 0.00 0.00 60.65 59.66 3kcq s ILE 106 Cb -0.04 -3.33 -0.03 0.00 0.15 0.00 0.00 42.46 39.21 3kcq s ILE 106 CO 0.01 0.09 -0.03 -2.28 -2.11 0.00 0.00 174.94 170.62 3kcq s HIS 107 N 1.62 3.06 -0.59 3.50 5.65 0.09 -4.79 115.29 123.84 3kcq s HIS 107 Ca 0.05 0.04 -0.05 0.00 0.25 0.00 0.00 55.06 55.35 3kcq s HIS 107 Cb -0.17 -1.80 0.01 0.00 -1.18 0.00 0.00 32.58 29.44 3kcq s HIS 107 CO 0.06 0.32 2.86 -0.35 -0.65 0.00 0.00 174.74 176.98 3kcq n PRO 108 N 2.47 2.80 -3.93 2.88 -0.04 -1.26 -0.84 135.00 137.08 3kcq n PRO 108 Ca -0.18 -2.32 -0.08 0.00 -0.04 0.00 0.00 63.50 60.88 3kcq n PRO 108 Cb 0.53 -2.24 -0.04 0.00 -0.04 0.00 0.00 33.50 31.71 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 0.71 -0.16 -1.10 3.54 1.04 -0.43 -4.10 113.70 113.20 3kcq s SER 109 Ca 0.60 -0.79 -0.19 0.00 0.48 0.00 0.00 55.95 56.05 3kcq s SER 109 Cb 0.33 0.63 0.09 0.00 0.10 0.00 0.00 66.02 67.17 3kcq s SER 109 CO -0.16 -1.20 1.45 -0.76 0.98 0.00 0.00 173.24 173.55 3kcq s LEU 110 N -2.97 4.21 0.66 2.42 1.43 -1.24 -2.24 118.68 120.95 3kcq s LEU 110 Ca 0.18 -2.11 -0.17 0.00 -1.03 0.00 0.00 54.13 51.00 3kcq s LEU 110 Cb -0.02 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 3kcq s LEU 110 CO 0.07 -1.19 1.00 0.18 0.23 0.00 0.00 176.35 176.65 3kcq n LEU 111 N 7.67 3.93 -0.19 1.79 4.77 -1.26 -2.00 117.00 131.71 3kcq n LEU 111 Ca 0.36 0.75 0.09 0.00 -0.03 0.00 0.00 56.01 57.18 3kcq n LEU 111 Cb 0.48 -1.42 0.47 0.00 -2.33 0.00 0.00 43.42 40.63 3kcq n LEU 111 CO 0.65 -1.84 0.82 -0.81 -1.33 0.00 0.00 177.39 174.87 3kcq n PRO 112 N -1.49 1.25 -2.09 3.23 -0.04 -1.26 -5.09 135.00 129.52 3kcq n PRO 112 Ca 0.14 -0.38 -0.41 0.00 -0.04 0.00 0.00 63.50 62.81 3kcq n PRO 112 Cb 0.48 -1.32 -0.02 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.56 6.74 -0.84 3.54 0.01 -0.85 -4.24 113.70 116.51 3kcq s SER 113 Ca 0.29 2.63 -0.04 0.00 1.31 0.00 0.00 55.95 60.14 3kcq s SER 113 Cb 0.14 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.69 3kcq s SER 113 CO 0.22 -0.60 0.73 0.49 0.41 0.00 0.00 173.24 174.49 3kcq n PHE 114 N 1.73 -1.90 -1.52 2.43 3.72 -1.26 -4.40 117.46 116.26 3kcq n PHE 114 Ca 0.04 0.68 -0.31 0.00 -0.05 0.00 0.00 57.45 57.81 3kcq n PHE 114 Cb 0.41 -3.88 0.06 0.00 -0.94 0.00 0.00 39.48 35.14 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 -4.24 2.71 0.76 -1.08 1.02 -1.26 -4.68 119.74 112.97 3kcq s LYS 115 Ca 0.31 1.10 0.00 0.00 0.02 0.00 0.00 55.97 57.39 3kcq s LYS 115 Cb -0.04 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 3kcq s LYS 115 CO 0.58 -1.28 0.00 0.41 -0.92 0.00 0.00 175.35 174.13 3kcq n GLY 116 N -1.47 -1.08 3.90 -3.33 0.00 -1.26 -4.90 105.19 97.05 3kcq n GLY 116 Ca 0.08 -1.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.11 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 3.90 -1.34 0.99 1.43 -1.26 -4.34 118.68 118.06 3kcq s LEU 117 Ca 0.00 0.86 -0.04 0.00 -1.03 0.00 0.00 54.13 53.91 3kcq s LEU 117 Cb 0.00 -3.72 0.02 0.00 0.03 0.00 0.00 46.19 42.52 3kcq s LEU 117 CO 0.00 -0.34 0.90 0.59 0.23 0.00 0.00 176.35 177.73 3kcq n ASN 118 N -1.38 -2.94 -0.05 2.29 4.13 -1.26 -4.89 115.26 111.17 3kcq n ASN 118 Ca -0.00 -0.73 0.03 0.00 1.68 0.00 0.00 54.58 55.56 3kcq n ASN 118 Cb 0.54 -4.40 0.37 0.00 -1.54 0.00 0.00 39.78 34.75 3kcq n ASN 118 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kcq h ALA 119 N 0.92 1.61 -0.25 5.41 0.00 -1.84 -1.89 119.26 123.21 3kcq h ALA 119 Ca -0.59 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 3kcq h ALA 119 Cb 1.36 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3kcq h ALA 119 CO 0.57 0.35 0.12 1.96 0.00 0.00 0.00 179.25 182.25 3kcq h GLN 120 N 0.66 0.37 -0.68 0.00 7.50 -1.91 -0.55 115.11 120.50 3kcq h GLN 120 Ca 0.17 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.26 3kcq h GLN 120 Cb -0.03 -0.06 -0.03 0.00 0.05 0.00 0.00 27.48 27.41 3kcq h GLN 120 CO -0.03 0.37 0.38 1.49 -1.50 0.00 0.00 178.83 179.53 3kcq h GLU 121 N 0.27 0.94 -0.02 1.46 4.81 -1.72 0.03 114.58 120.36 3kcq h GLU 121 Ca 0.09 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3kcq h GLU 121 Cb 0.13 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 3kcq h GLU 121 CO -0.01 0.69 0.01 1.96 -0.73 0.00 0.00 179.01 180.93 3kcq h GLN 122 N 0.95 0.03 -0.54 1.92 4.20 -0.96 -1.20 115.11 119.50 3kcq h GLN 122 Ca 0.24 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 59.03 3kcq h GLN 122 Cb 0.02 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 3kcq h GLN 122 CO -0.04 0.13 0.18 0.00 -0.67 0.00 0.00 178.83 178.43 3kcq h ALA 123 N 0.90 0.66 -0.25 3.87 0.00 -0.73 -0.97 119.26 122.75 3kcq h ALA 123 Ca 0.01 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3kcq h ALA 123 Cb 0.11 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3kcq h ALA 123 CO -0.00 -0.22 0.13 -0.92 0.00 0.00 0.00 179.25 178.24 3kcq h TYR 124 N 0.35 0.25 -0.00 0.00 3.20 -0.62 -2.41 116.97 117.73 3kcq h TYR 124 Ca 0.27 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.03 3kcq h TYR 124 Cb 0.31 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3kcq h TYR 124 CO -0.18 0.14 -0.54 0.87 -1.64 0.00 0.00 178.16 176.82 3kcq h LYS 125 N 0.28 0.01 0.00 1.82 1.57 -0.95 -3.04 116.57 116.25 3kcq h LYS 125 Ca 0.10 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3kcq h LYS 125 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3kcq h LYS 125 CO -0.06 0.55 -0.28 0.00 -0.57 0.00 0.00 179.45 179.09 3kcq h ALA 126 N 1.45 1.49 -0.83 3.86 0.00 -0.86 -3.47 119.26 120.90 3kcq h ALA 126 Ca -0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 3kcq h ALA 126 Cb 0.95 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3kcq h ALA 126 CO 0.07 0.35 -0.12 0.41 0.00 0.00 0.00 179.25 179.96 3kcq n GLY 127 N -0.68 0.26 3.76 0.00 0.00 -0.94 -5.04 105.19 102.56 3kcq n GLY 127 Ca -0.02 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.35 2.55 -1.23 1.61 -7.23 -1.23 -4.95 120.40 107.57 3kcq s VAL 128 Ca 0.02 0.38 0.23 0.00 -1.81 0.00 0.00 61.98 60.80 3kcq s VAL 128 Cb -0.01 -3.18 -0.08 0.00 0.56 0.00 0.00 36.38 33.68 3kcq s VAL 128 CO 0.02 -0.03 1.15 0.29 -0.31 0.00 0.00 175.10 176.22 3kcq n LYS 129 N -1.10 0.26 -3.95 4.82 4.76 -1.26 -4.77 118.16 116.92 3kcq n LYS 129 Ca 0.11 -0.19 -0.16 0.00 -2.87 0.00 0.00 58.31 55.20 3kcq n LYS 129 Cb 0.47 -1.50 -0.16 0.00 -1.84 0.00 0.00 35.03 32.01 3kcq n LYS 129 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kcq s ILE 130 N -2.87 0.17 0.00 -0.18 1.01 -1.26 -1.82 121.20 116.25 3kcq s ILE 130 Ca 0.12 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.80 3kcq s ILE 130 Cb 0.17 -0.23 0.00 0.00 0.01 0.00 0.00 42.46 42.41 3kcq s ILE 130 CO 0.74 0.11 0.00 0.00 0.00 0.00 0.00 174.94 175.79 3kcq n ALA 131 N 3.77 0.00 0.00 9.38 0.00 0.46 -4.94 120.51 129.19 3kcq n ALA 131 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3kcq n ALA 131 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 1.57 -1.07 3.16 0.00 0.00 -1.26 -0.50 105.19 107.09 3kcq n GLY 132 Ca 0.00 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.88 0.90 -0.07 0.00 2.01 -0.02 -1.68 115.64 113.90 3kcq s THR 134 Ca 0.07 -0.30 -0.20 0.00 0.31 0.00 0.00 61.69 61.57 3kcq s THR 134 Cb 0.00 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 3kcq s THR 134 CO -0.02 0.32 0.58 -0.22 -0.69 0.00 0.00 174.62 174.59 3kcq s LEU 135 N 1.10 4.32 -0.01 4.42 2.96 0.47 -0.73 118.68 131.22 3kcq s LEU 135 Ca -0.07 1.02 -0.19 0.00 -0.22 0.00 0.00 54.13 54.68 3kcq s LEU 135 Cb -0.14 -2.88 0.03 0.00 0.50 0.00 0.00 46.19 43.71 3kcq s LEU 135 CO -0.01 -0.01 0.40 -1.38 -1.32 0.00 0.00 176.35 174.03 3kcq s HIS 136 N 0.47 -0.29 0.43 5.38 -3.43 -0.46 -0.45 115.29 116.95 3kcq s HIS 136 Ca 0.31 0.41 -0.26 0.00 -0.80 0.00 0.00 55.06 54.72 3kcq s HIS 136 Cb -0.17 0.18 -0.09 0.00 -1.43 0.00 0.00 32.58 31.08 3kcq s HIS 136 CO 0.15 -0.48 1.41 0.71 -2.00 0.00 0.00 174.74 174.53 3kcq s TYR 137 N -1.60 2.55 -0.45 0.38 2.02 -0.42 -0.96 117.35 118.86 3kcq s TYR 137 Ca -0.11 1.28 -0.22 0.00 -0.37 0.00 0.00 57.07 57.65 3kcq s TYR 137 Cb -0.03 -3.89 0.03 0.00 -0.40 0.00 0.00 41.96 37.67 3kcq s TYR 137 CO 0.04 -2.78 0.72 0.08 -1.57 0.00 0.00 175.55 172.04 3kcq s VAL 138 N -1.20 4.73 0.17 0.71 1.01 -0.18 -3.79 120.40 121.84 3kcq s VAL 138 Ca 0.59 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.82 3kcq s VAL 138 Cb -0.43 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 31.69 3kcq s VAL 138 CO 0.56 -0.68 0.16 -1.22 0.00 0.00 0.00 175.10 173.92 3kcq n TYR 139 N 6.51 -1.73 -0.22 5.22 4.02 -1.26 -4.74 117.16 124.96 3kcq n TYR 139 Ca 0.00 -0.67 -0.05 0.00 -0.01 0.00 0.00 57.90 57.17 3kcq n TYR 139 Cb 0.48 -0.14 0.06 0.00 -0.02 0.00 0.00 39.34 39.71 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 0.76 -6.29 -0.72 1.08 -1.97 -3.42 115.11 104.55 3kcq h GLN 140 Ca -0.10 -0.05 -0.55 0.00 -1.45 0.00 0.00 58.65 56.50 3kcq h GLN 140 Cb 0.37 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 3kcq h GLN 140 CO 0.15 0.50 0.67 -2.00 -0.95 0.00 0.00 178.83 177.19 3kcq s GLU 141 N -6.13 4.37 0.20 1.46 2.12 -1.26 -4.95 118.70 114.50 3kcq s GLU 141 Ca -0.13 1.58 -0.32 0.00 0.36 0.00 0.00 54.97 56.46 3kcq s GLU 141 Cb 0.14 -3.56 -0.12 0.00 0.26 0.00 0.00 34.13 30.85 3kcq s GLU 141 CO 0.76 -0.42 1.72 -0.11 -0.54 0.00 0.00 175.26 176.67 3kcq n LEU 142 N 5.20 3.92 -2.53 2.70 7.94 -1.26 -2.64 117.00 130.32 3kcq n LEU 142 Ca 0.10 1.06 -0.14 0.00 -1.11 0.00 0.00 56.01 55.92 3kcq n LEU 142 Cb 0.47 -1.56 -0.00 0.00 0.53 0.00 0.00 43.42 42.85 3kcq n LEU 142 CO 0.54 0.14 -0.15 0.47 -1.11 0.00 0.00 177.39 177.28 3kcq n ASP 143 N 3.98 -4.17 -0.37 1.96 8.00 -1.26 -4.82 116.55 119.87 3kcq n ASP 143 Ca 0.16 0.11 0.01 0.00 0.71 0.00 0.00 54.79 55.79 3kcq n ASP 143 Cb 0.34 -3.51 0.02 0.00 -0.02 0.00 0.00 41.12 37.95 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 -2.36 1.93 -1.44 2.24 0.00 -1.08 -4.95 120.51 114.84 3kcq n ALA 144 Ca -0.14 -1.18 -0.30 0.00 0.00 0.00 0.00 53.44 51.82 3kcq n ALA 144 Cb 0.61 -0.42 0.11 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.16 1.61 0.18 0.00 0.00 -1.25 -4.93 107.32 101.77 3kcq s GLY 145 Ca 0.05 -0.21 -0.33 0.00 0.00 0.00 0.00 44.72 44.22 3kcq s GLY 145 CO 0.00 0.25 1.63 -1.05 0.00 0.00 0.00 173.10 173.94 3kcq n PRO 146 N -3.62 2.38 -2.44 2.90 -0.02 -1.26 -4.55 135.00 128.39 3kcq n PRO 146 Ca 0.07 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 61.99 3kcq n PRO 146 Cb 0.56 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 3kcq n PRO 146 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kcq s ILE 147 N 1.03 4.09 -0.23 4.25 1.01 -1.26 -1.30 121.20 128.80 3kcq s ILE 147 Ca 0.78 1.50 -0.16 0.00 0.00 0.00 0.00 60.65 62.77 3kcq s ILE 147 Cb -0.62 -3.96 -0.10 0.00 0.01 0.00 0.00 42.46 37.79 3kcq s ILE 147 CO 0.36 0.11 -0.26 -0.38 0.00 0.00 0.00 174.94 174.77 3kcq n ILE 148 N 3.98 1.51 -3.97 2.92 5.41 0.41 -4.27 119.36 125.35 3kcq n ILE 148 Ca 0.09 -0.12 -0.09 0.00 1.00 0.00 0.00 62.75 63.63 3kcq n ILE 148 Cb 0.47 -2.09 -0.11 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 -2.58 0.40 -0.00 0.38 -1.94 -1.05 -4.83 119.30 109.67 3kcq s MET 149 Ca -0.32 -0.66 0.01 0.00 -1.71 0.00 0.00 55.69 53.00 3kcq s MET 149 Cb 0.09 0.15 -0.00 0.00 2.01 0.00 0.00 34.83 37.08 3kcq s MET 149 CO 0.46 -0.08 -0.03 -0.65 -0.01 0.00 0.00 175.02 174.71 3kcq s GLN 150 N -1.85 0.25 -0.08 2.03 -0.21 -0.85 -0.40 119.66 118.55 3kcq s GLN 150 Ca -0.12 -0.13 0.03 0.00 0.02 0.00 0.00 55.36 55.16 3kcq s GLN 150 Cb -0.07 -0.23 0.01 0.00 1.00 0.00 0.00 33.01 33.72 3kcq s GLN 150 CO -0.02 0.06 -0.18 0.00 -2.12 0.00 0.00 175.29 173.04 3kcq s ALA 151 N -0.12 1.66 -0.00 6.09 0.00 -0.68 -1.18 121.76 127.53 3kcq s ALA 151 Ca 0.01 -0.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 3kcq s ALA 151 Cb -0.01 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 3kcq s ALA 151 CO -0.00 0.20 0.22 0.00 0.00 0.00 0.00 175.76 176.18 3kcq s ALA 152 N 0.48 3.90 -0.02 0.00 0.00 0.20 -2.12 121.76 124.20 3kcq s ALA 152 Ca -0.16 -0.67 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 3kcq s ALA 152 Cb -0.16 -1.97 0.01 0.00 0.00 0.00 0.00 23.12 21.00 3kcq s ALA 152 CO 0.06 0.70 0.05 0.08 0.00 0.00 0.00 175.76 176.64 3kcq s VAL 153 N -1.31 -0.01 0.64 0.00 1.01 0.35 -1.55 120.40 119.53 3kcq s VAL 153 Ca 0.27 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.17 3kcq s VAL 153 Cb -0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 3kcq s VAL 153 CO 0.17 0.02 1.04 -2.16 0.00 0.00 0.00 175.10 174.17 3kcq s PRO 154 N 0.25 3.28 -0.19 2.72 0.04 -1.26 -0.41 135.00 139.44 3kcq s PRO 154 Ca -0.02 0.93 -0.02 0.00 0.04 0.00 0.00 61.00 61.93 3kcq s PRO 154 Cb -0.03 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 3kcq s PRO 154 CO -0.01 -0.82 -0.08 0.08 0.04 0.00 0.00 177.00 176.21 3kcq s VAL 155 N -2.96 3.16 0.34 -0.36 1.01 -0.75 -4.74 120.40 116.10 3kcq s VAL 155 Ca 0.58 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.94 3kcq s VAL 155 Cb -0.13 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3kcq s VAL 155 CO 0.50 0.47 0.59 -0.76 0.00 0.00 0.00 175.10 175.89 3kcq s LEU 156 N 1.10 3.98 0.31 3.92 1.43 -1.26 -4.86 118.68 123.31 3kcq s LEU 156 Ca 0.01 0.67 0.07 0.00 -1.03 0.00 0.00 54.13 53.84 3kcq s LEU 156 Cb -0.15 -3.52 0.76 0.00 0.03 0.00 0.00 46.19 43.32 3kcq s LEU 156 CO -0.02 -0.28 1.79 0.03 0.23 0.00 0.00 176.35 178.10 3kcq h ARG 157 N 1.18 0.73 -0.24 1.70 3.08 -2.00 -2.35 114.38 116.48 3kcq h ARG 157 Ca -0.48 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.52 3kcq h ARG 157 Cb 1.20 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.09 3kcq h ARG 157 CO 0.64 0.48 0.00 0.39 -1.07 0.00 0.00 179.97 180.41 3kcq n GLU 158 N -4.72 2.11 -1.87 0.04 1.02 -1.26 -4.96 120.64 111.00 3kcq n GLU 158 Ca 0.22 -1.67 -0.37 0.00 -0.02 0.00 0.00 57.16 55.33 3kcq n GLU 158 Cb 0.56 -1.46 0.05 0.00 -0.02 0.00 0.00 31.44 30.57 3kcq n GLU 158 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kcq s ASP 159 N -1.60 5.00 0.56 1.62 1.01 -0.89 -5.06 116.67 117.31 3kcq s ASP 159 Ca 0.35 2.55 0.07 0.00 0.71 0.00 0.00 52.55 56.23 3kcq s ASP 159 Cb 0.20 -2.61 0.06 0.00 1.01 0.00 0.00 42.92 41.58 3kcq s ASP 159 CO 0.29 -1.74 0.57 0.42 0.21 0.00 0.00 175.17 174.93 3kcq s THR 160 N -1.46 1.84 0.23 -1.27 -4.23 -1.26 -4.97 115.64 104.52 3kcq s THR 160 Ca 0.78 -1.28 -0.06 0.00 -1.18 0.00 0.00 61.69 59.95 3kcq s THR 160 Cb -0.35 -2.12 0.20 0.00 1.34 0.00 0.00 72.50 71.57 3kcq s THR 160 CO 0.38 0.00 1.73 0.00 -0.54 0.00 0.00 174.62 176.19 3kcq h ALA 161 N 0.49 0.96 -0.02 3.99 0.00 -1.97 -2.22 119.26 120.50 3kcq h ALA 161 Ca -0.34 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 3kcq h ALA 161 Cb 1.30 0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.20 3kcq h ALA 161 CO 0.50 -0.22 -0.59 1.49 0.00 0.00 0.00 179.25 180.43 3kcq h GLU 162 N 0.41 0.43 -0.50 0.00 4.57 -1.96 -1.01 114.58 116.52 3kcq h GLU 162 Ca 0.38 -0.44 0.10 0.00 -1.18 0.00 0.00 59.36 58.22 3kcq h GLU 162 Cb 0.56 0.12 -0.09 0.00 -0.16 0.00 0.00 28.75 29.18 3kcq h GLU 162 CO -0.39 1.10 -0.09 1.03 -1.18 0.00 0.00 179.01 179.47 3kcq h SER 163 N -0.07 -0.40 -0.57 1.04 0.87 -1.95 -0.13 113.55 112.34 3kcq h SER 163 Ca -0.07 0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 3kcq h SER 163 Cb 1.29 0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 63.51 3kcq h SER 163 CO 0.12 -0.14 0.13 0.25 -0.53 0.00 0.00 176.83 176.65 3kcq h LEU 164 N 0.03 0.90 -0.77 2.23 5.85 -1.37 -2.66 115.31 119.52 3kcq h LEU 164 Ca 0.24 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3kcq h LEU 164 Cb 0.37 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3kcq h LEU 164 CO -0.49 0.89 0.48 0.00 -0.34 0.00 0.00 178.44 178.97 3kcq h ALA 165 N 1.23 1.02 -0.54 1.25 0.00 -0.34 -2.09 119.26 119.79 3kcq h ALA 165 Ca 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3kcq h ALA 165 Cb 0.35 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3kcq h ALA 165 CO 0.00 0.25 0.26 0.77 0.00 0.00 0.00 179.25 180.53 3kcq h SER 166 N 0.92 0.71 -0.46 0.00 0.02 -0.74 -1.19 113.55 112.80 3kcq h SER 166 Ca 0.32 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 3kcq h SER 166 Cb 0.06 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 3kcq h SER 166 CO -0.13 0.65 0.13 -0.09 -1.14 0.00 0.00 176.83 176.25 3kcq h ARG 167 N 0.73 0.79 -0.22 3.45 2.43 -1.14 -1.48 114.38 118.95 3kcq h ARG 167 Ca 0.19 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3kcq h ARG 167 Cb 0.13 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3kcq h ARG 167 CO -0.02 0.72 -0.03 0.82 -1.51 0.00 0.00 179.97 179.94 3kcq h ILE 168 N 0.77 1.27 -0.46 1.20 2.04 -1.05 -2.68 117.51 118.61 3kcq h ILE 168 Ca 0.17 -0.98 0.07 0.00 1.00 0.00 0.00 64.86 65.12 3kcq h ILE 168 Cb 0.28 1.48 -0.06 0.00 -0.74 0.00 0.00 36.82 37.78 3kcq h ILE 168 CO -0.00 0.30 0.13 0.25 0.00 0.00 0.00 178.15 178.83 3kcq h LEU 169 N 0.15 0.09 -1.21 1.44 6.46 -1.12 0.11 115.31 121.23 3kcq h LEU 169 Ca 0.06 0.07 0.15 0.00 -0.12 0.00 0.00 57.88 58.04 3kcq h LEU 169 Cb 0.47 0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 40.39 3kcq h LEU 169 CO 0.02 0.08 0.60 0.00 -0.62 0.00 0.00 178.44 178.51 3kcq h ALA 170 N 1.33 1.79 0.00 1.25 0.00 -1.14 -0.18 119.26 122.30 3kcq h ALA 170 Ca 0.22 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 3kcq h ALA 170 Cb 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3kcq h ALA 170 CO -0.26 -0.06 -0.66 0.00 0.00 0.00 0.00 179.25 178.27 3kcq h ALA 171 N 1.60 0.66 -0.17 0.00 0.00 -0.89 -3.12 119.26 117.34 3kcq h ALA 171 Ca 0.48 -0.60 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3kcq h ALA 171 Cb 0.75 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3kcq h ALA 171 CO -0.24 0.83 -0.25 0.93 0.00 0.00 0.00 179.25 180.52 3kcq h GLU 172 N 0.00 0.32 0.00 0.00 5.08 0.94 -0.99 114.58 119.92 3kcq h GLU 172 Ca -0.01 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3kcq h GLU 172 Cb 1.39 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.61 3kcq h GLU 172 CO 0.09 0.55 -0.08 0.45 -1.00 0.00 0.00 179.01 179.01 3kcq h HIS 173 N 0.28 0.00 0.06 4.33 3.86 -1.24 0.11 115.15 122.56 3kcq h HIS 173 Ca 0.04 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.88 3kcq h HIS 173 Cb 0.60 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.03 3kcq h HIS 173 CO 0.01 0.08 -2.15 0.28 0.86 0.00 0.00 177.93 177.02 3kcq n VAL 174 N -3.49 1.64 -0.01 2.45 0.31 -1.02 -4.44 118.33 113.77 3kcq n VAL 174 Ca -0.02 -0.55 -0.13 0.00 -0.01 0.00 0.00 64.34 63.64 3kcq n VAL 174 Cb 0.22 -1.66 -0.09 0.00 -0.91 0.00 0.00 33.84 31.40 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 -0.32 -0.64 -0.99 0.00 5.03 -1.21 -1.79 116.97 117.06 3kcq h TYR 176 Ca 0.01 -0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.35 3kcq h TYR 176 Cb 0.40 0.21 -0.06 0.00 1.55 0.00 0.00 36.73 38.83 3kcq h TYR 176 CO 0.06 -0.37 0.64 -1.35 -1.32 0.00 0.00 178.16 175.82 3kcq h PRO 177 N -0.74 1.17 0.28 1.82 0.11 -1.78 -2.31 132.00 130.55 3kcq h PRO 177 Ca -0.07 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3kcq h PRO 177 Cb 0.55 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 3kcq h PRO 177 CO 0.12 0.78 -0.31 -0.22 -0.21 0.00 0.00 178.00 178.15 3kcq h LYS 178 N 1.21 -0.61 -0.29 1.05 1.63 -1.36 -2.21 116.57 115.99 3kcq h LYS 178 Ca 0.41 0.04 0.04 0.00 -0.85 0.00 0.00 60.65 60.28 3kcq h LYS 178 Cb 0.07 0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.81 3kcq h LYS 178 CO -0.14 -0.40 0.08 0.78 -3.45 0.00 0.00 179.45 176.31 3kcq h GLY 179 N -0.63 0.34 0.91 5.01 0.00 -1.10 -1.75 103.07 105.86 3kcq h GLY 179 Ca -0.01 -0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.37 3kcq h GLY 179 CO -0.08 0.01 0.50 -2.08 0.00 0.00 0.00 176.54 174.89 3kcq h VAL 180 N 0.19 0.97 -0.01 4.60 2.07 -1.28 -1.07 116.25 121.72 3kcq h VAL 180 Ca 0.13 -0.25 -0.18 0.00 0.82 0.00 0.00 66.70 67.22 3kcq h VAL 180 Cb 0.12 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 3kcq h VAL 180 CO -0.16 0.13 -0.81 0.50 0.02 0.00 0.00 177.57 177.26 3kcq h LYS 181 N 0.72 0.16 -0.48 1.57 3.64 -0.76 0.96 116.57 122.38 3kcq h LYS 181 Ca 0.34 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.45 3kcq h LYS 181 Cb 0.39 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 3kcq h LYS 181 CO -0.13 0.88 -0.17 -0.07 -2.27 0.00 0.00 179.45 177.69 3kcq h LEU 182 N 0.09 0.95 -0.44 5.20 3.38 -0.41 0.12 115.31 124.21 3kcq h LEU 182 Ca -0.03 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 3kcq h LEU 182 Cb 1.41 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 3kcq h LEU 182 CO 0.12 1.10 0.21 0.40 0.09 0.00 0.00 178.44 180.36 3kcq h ILE 183 N 0.82 1.18 -0.11 1.22 2.04 -0.99 -0.17 117.51 121.51 3kcq h ILE 183 Ca 0.12 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 3kcq h ILE 183 Cb 0.72 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3kcq h ILE 183 CO 0.06 0.20 -0.06 0.00 0.00 0.00 0.00 178.15 178.34 3kcq h ALA 184 N 1.06 1.70 0.00 1.87 0.00 -0.45 -1.00 119.26 122.43 3kcq h ALA 184 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kcq h ALA 184 Cb 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kcq h ALA 184 CO -0.02 0.23 0.00 1.04 0.00 0.00 0.00 179.25 180.50 3kcq n GLN 185 N -4.38 0.45 -3.78 0.00 3.00 0.38 -4.89 117.38 108.17 3kcq n GLN 185 Ca -0.01 0.04 -0.27 0.00 -0.01 0.00 0.00 57.00 56.75 3kcq n GLN 185 Cb 0.19 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 28.98 3kcq n GLN 185 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3kcq n ASP 186 N -1.22 -5.17 0.04 1.08 2.03 -0.38 -4.94 116.55 108.00 3kcq n ASP 186 Ca 0.13 -0.69 0.11 0.00 0.52 0.00 0.00 54.79 54.87 3kcq n ASP 186 Cb 0.17 -4.35 -0.02 0.00 -0.72 0.00 0.00 41.12 36.20 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 -4.78 0.46 -3.12 -0.67 5.02 -0.11 -4.91 118.16 110.05 3kcq n LYS 187 Ca 0.01 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.90 3kcq n LYS 187 Cb 0.55 -1.65 -0.06 0.00 -0.02 0.00 0.00 35.03 33.85 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 -3.31 5.03 -0.02 -0.18 -1.09 -1.24 -1.17 121.20 119.22 3kcq s ILE 188 Ca 0.00 1.22 0.02 0.00 -2.23 0.00 0.00 60.65 59.67 3kcq s ILE 188 Cb 0.13 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 3kcq s ILE 188 CO 0.82 0.14 -0.09 -0.54 -1.23 0.00 0.00 174.94 174.04 3kcq s LYS 189 N 1.67 0.93 0.03 2.79 3.01 -0.79 -5.01 119.74 122.37 3kcq s LYS 189 Ca 0.30 -0.30 -0.30 0.00 -1.01 0.00 0.00 55.97 54.66 3kcq s LYS 189 Cb -0.16 -0.88 -0.04 0.00 -1.01 0.00 0.00 37.83 35.74 3kcq s LYS 189 CO 0.11 0.12 1.04 -0.51 0.51 0.00 0.00 175.35 176.62 3kcq s LEU 190 N 0.17 4.38 0.88 3.17 1.43 -1.26 -1.25 118.68 126.19 3kcq s LEU 190 Ca -0.03 1.77 -0.13 0.00 -1.03 0.00 0.00 54.13 54.72 3kcq s LEU 190 Cb -0.08 -3.57 0.13 0.00 0.03 0.00 0.00 46.19 42.69 3kcq s LEU 190 CO 0.00 -0.31 1.20 0.00 0.23 0.00 0.00 176.35 177.47 3kcq h ASP 192 N -1.35 0.75 0.61 0.00 3.32 -1.98 -1.93 116.42 115.85 3kcq h ASP 192 Ca -0.47 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3kcq h ASP 192 Cb 1.31 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3kcq h ASP 192 CO 0.58 0.56 0.00 -0.90 -1.72 0.00 0.00 179.24 177.76 3kcq n ASP 193 N -4.42 0.00 0.00 6.45 5.68 -1.26 -4.92 116.55 118.08 3kcq n ASP 193 Ca 0.06 0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.42 3kcq n ASP 193 Cb 0.05 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.69 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 1.04 0.89 3.88 6.12 0.00 -0.72 -5.08 105.19 111.32 3kcq n GLY 194 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.16 3.82 0.05 2.61 -4.23 -1.26 -4.67 115.64 109.81 3kcq s THR 195 Ca 0.00 0.54 -0.02 0.00 -1.18 0.00 0.00 61.69 61.03 3kcq s THR 195 Cb 0.00 -3.58 -0.04 0.00 1.34 0.00 0.00 72.50 70.22 3kcq s THR 195 CO 0.00 -0.75 0.23 -0.69 -0.54 0.00 0.00 174.62 172.87 3kcq s VAL 196 N -3.28 5.37 0.03 2.29 1.01 -1.26 0.24 120.40 124.81 3kcq s VAL 196 Ca 0.57 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.32 3kcq s VAL 196 Cb -0.11 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 3kcq s VAL 196 CO 0.52 0.19 -0.06 0.00 0.00 0.00 0.00 175.10 175.75 3kcq s GLN 197 N -2.33 0.45 -0.12 2.72 -2.07 -0.38 -4.91 119.66 113.02 3kcq s GLN 197 Ca 0.33 -0.67 -0.15 0.00 -1.82 0.00 0.00 55.36 53.05 3kcq s GLN 197 Cb -0.13 -0.19 -0.05 0.00 -1.09 0.00 0.00 33.01 31.56 3kcq s GLN 197 CO 0.24 0.03 0.35 0.00 -1.32 0.00 0.00 175.29 174.59 3kcq n THR 199 N 3.26 1.96 -3.34 0.00 -2.24 -0.31 -4.90 114.28 108.70 3kcq n THR 199 Ca -0.11 -0.98 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 3kcq n THR 199 Cb 0.52 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.03 4.86 0.19 3.38 0.00 -1.26 -5.03 105.19 107.30 3kcq n GLY 200 Ca 0.25 -1.53 0.14 0.00 0.00 0.00 0.00 46.02 44.88 3kcq n GLY 200 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kcq h GLU 201 N 0.00 0.00 -7.20 1.61 9.09 -2.02 -3.45 114.58 112.61 3kcq h GLU 201 Ca 0.00 0.00 -0.51 0.00 0.05 0.00 0.00 59.36 58.90 3kcq h GLU 201 Cb 0.00 0.00 0.12 0.00 -1.65 0.00 0.00 28.75 27.22 3kcq h GLU 201 CO 0.00 0.00 0.38 -0.51 0.05 0.00 0.00 179.01 178.93 3kcq s ASP 202 N -5.25 4.84 0.07 3.06 1.01 -1.26 -5.05 116.67 114.10 3kcq s ASP 202 Ca 0.06 2.09 0.09 0.00 0.71 0.00 0.00 52.55 55.50 3kcq s ASP 202 Cb 0.09 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 3kcq s ASP 202 CO 0.56 -1.81 -0.24 -0.70 0.21 0.00 0.00 175.17 173.19 3kcq s GLU 203 N -4.07 1.77 0.00 8.23 2.56 -1.26 -4.85 118.70 121.08 3kcq s GLU 203 Ca 0.69 -1.14 0.23 0.00 0.00 0.00 0.00 54.97 54.74 3kcq s GLU 203 Cb -0.23 -2.02 0.59 0.00 2.00 0.00 0.00 34.13 34.48 3kcq s GLU 203 CO 0.43 0.50 1.48 1.28 -0.56 0.00 0.00 175.26 178.39 3kcq n LEU 204 N 1.46 2.44 -4.46 2.70 4.77 -1.26 -4.87 117.00 117.78 3kcq n LEU 204 Ca -0.17 -1.00 -0.30 0.00 -0.03 0.00 0.00 56.01 54.52 3kcq n LEU 204 Cb 0.52 -0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 41.35 3kcq n LEU 204 CO 0.24 0.50 -0.51 0.72 -1.33 0.00 0.00 177.39 177.01 3kcq s PHE 205 N -1.73 2.48 -0.03 -1.77 -0.71 -1.26 -2.01 117.98 112.95 3kcq s PHE 205 Ca 0.35 -0.29 0.01 0.00 -1.04 0.00 0.00 56.93 55.95 3kcq s PHE 205 Cb 0.20 -1.35 0.01 0.00 -1.21 0.00 0.00 43.02 40.67 3kcq s PHE 205 CO 0.29 0.34 -0.04 -0.51 -1.34 0.00 0.00 175.22 173.96 3kcq s LEU 206 N -1.95 1.51 -0.36 -1.99 1.43 -0.32 -4.97 118.68 112.02 3kcq s LEU 206 Ca 0.16 -0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 53.09 3kcq s LEU 206 Cb -0.10 -0.36 0.05 0.00 0.03 0.00 0.00 46.19 45.81 3kcq s LEU 206 CO 0.08 -0.02 0.15 -0.36 0.23 0.00 0.00 176.35 176.43 3kcq s PHE 207 N 0.60 3.29 -0.84 0.29 0.08 -1.26 -0.63 117.98 119.51 3kcq s PHE 207 Ca -0.07 -1.47 -0.15 0.00 0.12 0.00 0.00 56.93 55.36 3kcq s PHE 207 Cb -0.11 -2.48 0.19 0.00 -0.57 0.00 0.00 43.02 40.05 3kcq s PHE 207 CO -0.00 -0.76 0.85 -0.65 -0.10 0.00 0.00 175.22 174.55 3kcq s GLN 208 N 1.40 3.56 0.51 0.44 1.11 -0.59 -4.92 119.66 121.17 3kcq s GLN 208 Ca 0.00 -2.22 0.33 0.00 0.01 0.00 0.00 55.36 53.48 3kcq s GLN 208 Cb -0.20 -4.54 1.45 0.00 -1.01 0.00 0.00 33.01 28.70 3kcq s GLN 208 CO 0.03 -1.42 1.98 1.05 0.01 0.00 0.00 175.29 176.93 3kcq h GLU 209 N 8.13 0.00 -6.92 2.91 4.11 -1.96 -3.40 114.58 117.44 3kcq h GLU 209 Ca 0.09 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 59.01 3kcq h GLU 209 Cb 1.04 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.35 3kcq h GLU 209 CO 0.86 0.00 0.56 -0.80 0.07 0.00 0.00 179.01 179.70 3kcq s ASN 210 N -5.28 6.55 0.00 3.06 0.01 -1.26 -4.82 114.94 113.19 3kcq s ASN 210 Ca 0.01 2.50 0.27 0.00 -0.71 0.00 0.00 52.86 54.93 3kcq s ASN 210 Cb 0.09 -2.63 1.62 0.00 0.41 0.00 0.00 41.25 40.75 3kcq s ASN 210 CO 0.48 -0.67 1.97 0.49 -1.51 0.00 0.00 177.10 177.86