#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i7d s LYS 3 N 0.00 4.23 0.38 -0.52 2.20 -1.26 -4.99 119.74 119.79 3i7d s LYS 3 Ca 0.00 2.18 -0.17 0.00 -0.36 0.00 0.00 55.97 57.62 3i7d s LYS 3 Cb 0.00 -3.57 -0.10 0.00 -1.51 0.00 0.00 37.83 32.66 3i7d s LYS 3 CO 0.00 -0.66 0.84 -0.51 -0.36 0.00 0.00 175.35 174.66 3i7d s LEU 4 N 2.46 3.98 -0.43 5.43 1.43 -1.26 -5.04 118.68 125.26 3i7d s LEU 4 Ca 0.70 1.45 -0.06 0.00 -1.03 0.00 0.00 54.13 55.19 3i7d s LEU 4 Cb -0.36 -4.29 0.10 0.00 0.03 0.00 0.00 46.19 41.67 3i7d s LEU 4 CO 0.30 -0.29 0.25 -0.62 0.23 0.00 0.00 176.35 176.22 3i7d s ASP 5 N -2.31 5.47 0.39 2.29 2.15 -1.26 -4.98 116.67 118.42 3i7d s ASP 5 Ca 0.57 -1.85 0.10 0.00 0.43 0.00 0.00 52.55 51.80 3i7d s ASP 5 Cb -0.10 -1.92 0.80 0.00 -0.30 0.00 0.00 42.92 41.41 3i7d s ASP 5 CO 0.17 -0.58 1.92 -0.07 -0.17 0.00 0.00 175.17 176.44 3i7d h LEU 6 N 8.25 0.21 -0.84 -1.34 4.07 -1.96 -2.13 115.31 121.58 3i7d h LEU 6 Ca -0.18 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.74 3i7d h LEU 6 Cb 1.06 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.75 3i7d h LEU 6 CO 0.76 0.37 0.00 0.44 -1.08 0.00 0.00 178.44 178.92 3i7d h ASP 7 N 0.22 0.00 0.93 -0.43 3.32 -2.04 -2.79 116.42 115.63 3i7d h ASP 7 Ca 0.04 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 3i7d h ASP 7 Cb 0.36 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3i7d h ASP 7 CO 0.02 0.00 -1.14 -1.28 -1.72 0.00 0.00 179.24 175.12 3i7d h SER 8 N 0.00 0.00 -3.45 6.45 0.87 -1.82 -3.47 113.55 112.12 3i7d h SER 8 Ca 0.00 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 60.04 3i7d h SER 8 Cb 0.60 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.59 3i7d h SER 8 CO 0.00 0.39 0.62 -0.63 -0.53 0.00 0.00 176.83 176.68 3i7d s ILE 9 N -3.06 3.30 0.25 2.23 1.01 -1.05 -4.95 121.20 118.93 3i7d s ILE 9 Ca -0.01 1.09 -0.31 0.00 0.00 0.00 0.00 60.65 61.43 3i7d s ILE 9 Cb 0.09 -3.70 -0.11 0.00 0.01 0.00 0.00 42.46 38.75 3i7d s ILE 9 CO 0.79 0.17 1.58 -0.70 0.00 0.00 0.00 174.94 176.78 3i7d s GLU 10 N -0.28 4.17 -0.23 2.79 2.12 -1.26 -4.97 118.70 121.04 3i7d s GLU 10 Ca 0.55 2.49 -0.20 0.00 0.36 0.00 0.00 54.97 58.16 3i7d s GLU 10 Cb -0.35 -3.07 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 3i7d s GLU 10 CO 0.39 -0.60 0.60 0.50 -0.54 0.00 0.00 175.26 175.61 3i7d s ARG 11 N 0.06 4.15 -0.08 4.30 3.52 -1.26 -4.46 118.95 125.18 3i7d s ARG 11 Ca 0.65 0.53 -0.06 0.00 -0.13 0.00 0.00 55.73 56.73 3i7d s ARG 11 Cb -0.46 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.27 3i7d s ARG 11 CO 0.42 -0.31 0.17 1.03 -0.81 0.00 0.00 175.30 175.79 3i7d s ARG 12 N 2.18 3.46 0.37 5.12 0.52 0.13 -4.90 118.95 125.82 3i7d s ARG 12 Ca 0.26 -0.17 0.04 0.00 -0.52 0.00 0.00 55.73 55.34 3i7d s ARG 12 Cb -0.16 -3.16 -0.03 0.00 0.52 0.00 0.00 34.95 32.13 3i7d s ARG 12 CO 0.09 0.74 0.17 0.96 0.02 0.00 0.00 175.30 177.28 3i7d s ILE 13 N -1.13 0.43 0.00 1.52 -4.36 -1.26 -1.32 121.20 115.08 3i7d s ILE 13 Ca 0.20 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 3i7d s ILE 13 Cb -0.12 -2.42 0.00 0.00 1.25 0.00 0.00 42.46 41.17 3i7d s ILE 13 CO 0.09 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.88 3i7d n GLY 14 N -0.79 -1.69 3.78 6.27 0.00 -1.26 -5.03 105.19 106.48 3i7d n GLY 14 Ca -0.02 -1.32 -0.08 0.00 0.00 0.00 0.00 46.02 44.61 3i7d n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i7d s SER 15 N -4.00 -0.19 0.00 1.61 1.04 -1.26 -4.98 113.70 105.91 3i7d s SER 15 Ca 0.00 -0.72 0.19 0.00 0.48 0.00 0.00 55.95 55.89 3i7d s SER 15 Cb 0.00 0.70 0.59 0.00 0.10 0.00 0.00 66.02 67.41 3i7d s SER 15 CO 0.00 -1.31 1.45 1.33 0.98 0.00 0.00 173.24 175.69 3i7d n VAL 16 N -0.44 0.35 -2.39 5.02 0.24 -1.26 -4.97 118.33 114.87 3i7d n VAL 16 Ca -0.04 -0.46 -0.37 0.00 -2.04 0.00 0.00 64.34 61.43 3i7d n VAL 16 Cb 0.60 0.42 -0.03 0.00 -1.47 0.00 0.00 33.84 33.36 3i7d n VAL 16 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3i7d s TYR 17 N -1.65 3.12 0.35 6.34 2.02 -1.26 -5.00 117.35 121.27 3i7d s TYR 17 Ca 0.31 1.59 -0.23 0.00 -0.37 0.00 0.00 57.07 58.38 3i7d s TYR 17 Cb 0.17 -3.29 -0.10 0.00 -0.40 0.00 0.00 41.96 38.34 3i7d s TYR 17 CO 0.25 -1.07 0.90 -1.25 -1.57 0.00 0.00 175.55 172.81 3i7d s PRO 18 N -2.41 4.37 6.57 -1.71 0.04 -1.26 -3.65 135.00 136.95 3i7d s PRO 18 Ca 0.58 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.76 3i7d s PRO 18 Cb -0.27 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.70 3i7d s PRO 18 CO 0.34 0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.97 3i7d n GLY 19 N 0.09 3.21 0.32 0.56 0.00 -1.26 -1.85 105.19 106.26 3i7d n GLY 19 Ca 0.03 -0.25 0.21 0.00 0.00 0.00 0.00 46.02 46.02 3i7d n GLY 19 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i7d h ARG 20 N 0.00 0.00 0.00 1.61 0.11 -0.89 -2.75 114.38 112.46 3i7d h ARG 20 Ca 0.00 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.98 3i7d h ARG 20 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 3i7d h ARG 20 CO 0.00 0.00 -0.50 -0.07 0.10 0.00 0.00 179.97 179.50 3i7d h LEU 21 N 0.00 0.00 -1.01 0.08 3.38 -1.61 -2.95 115.31 113.19 3i7d h LEU 21 Ca 0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 3i7d h LEU 21 Cb 0.02 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.67 3i7d h LEU 21 CO 0.00 0.50 0.61 -1.13 0.09 0.00 0.00 178.44 178.51 3i7d h ASN 22 N 0.00 0.79 0.32 -0.43 -1.24 -1.55 0.24 115.58 113.71 3i7d h ASN 22 Ca -0.00 0.09 -0.00 0.00 0.71 0.00 0.00 56.30 57.10 3i7d h ASN 22 Cb 0.89 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.89 3i7d h ASN 22 CO 0.06 0.29 -0.01 0.00 -1.29 0.00 0.00 177.43 176.49 3i7d h ALA 23 N 1.64 1.03 0.00 1.57 0.00 -1.74 -3.39 119.26 118.38 3i7d h ALA 23 Ca 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3i7d h ALA 23 Cb 0.88 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3i7d h ALA 23 CO -0.37 0.01 0.00 0.00 0.00 0.00 0.00 179.25 178.89 3i7d n ALA 24 N -2.10 1.66 -0.61 0.00 0.00 0.84 -4.93 120.51 115.36 3i7d n ALA 24 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3i7d n ALA 24 Cb 0.15 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3i7d n ALA 24 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i7d n ASP 26 N 1.89 -4.36 0.00 0.00 8.00 -1.26 -4.61 116.55 116.21 3i7d n ASP 26 Ca 0.00 0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.95 3i7d n ASP 26 Cb 0.03 -1.03 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 3i7d n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i7d n GLY 27 N -0.29 0.77 3.71 0.44 0.00 -1.26 -4.62 105.19 103.93 3i7d n GLY 27 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3i7d n GLY 27 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i7d s ARG 28 N -0.73 4.23 0.19 1.61 3.52 -1.26 -0.36 118.95 126.15 3i7d s ARG 28 Ca 0.00 0.13 0.00 0.00 -0.13 0.00 0.00 55.73 55.73 3i7d s ARG 28 Cb 0.00 -3.46 -0.04 0.00 -1.56 0.00 0.00 34.95 29.88 3i7d s ARG 28 CO 0.00 0.15 0.08 -1.54 -0.81 0.00 0.00 175.30 173.17 3i7d s SER 29 N 0.68 0.67 0.07 -2.12 1.04 -0.59 -4.30 113.70 109.15 3i7d s SER 29 Ca 0.17 -1.30 -0.19 0.00 0.48 0.00 0.00 55.95 55.11 3i7d s SER 29 Cb -0.14 0.25 0.04 0.00 0.10 0.00 0.00 66.02 66.28 3i7d s SER 29 CO 0.05 -0.73 0.45 -0.94 0.98 0.00 0.00 173.24 173.06 3i7d s SER 30 N -3.17 -0.34 -0.15 7.02 1.04 -0.43 0.05 113.70 117.72 3i7d s SER 30 Ca 0.32 -0.03 -0.00 0.00 0.48 0.00 0.00 55.95 56.71 3i7d s SER 30 Cb 0.07 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 3i7d s SER 30 CO 0.08 -0.75 -0.13 -0.76 0.98 0.00 0.00 173.24 172.66 3i7d s LEU 31 N -2.25 2.61 -1.02 2.42 1.43 -0.12 -0.69 118.68 121.07 3i7d s LEU 31 Ca -0.03 -0.41 -0.20 0.00 -1.03 0.00 0.00 54.13 52.46 3i7d s LEU 31 Cb -0.00 -1.60 0.09 0.00 0.03 0.00 0.00 46.19 44.71 3i7d s LEU 31 CO -0.05 0.10 1.34 -0.13 0.23 0.00 0.00 176.35 177.83 3i7d s ARG 32 N 0.73 3.66 0.19 1.70 0.52 -1.26 -1.44 118.95 123.04 3i7d s ARG 32 Ca -0.06 -1.54 -0.03 0.00 -0.52 0.00 0.00 55.73 53.58 3i7d s ARG 32 Cb -0.15 -5.17 0.10 0.00 0.52 0.00 0.00 34.95 30.25 3i7d s ARG 32 CO 0.01 -2.00 1.49 -0.07 0.02 0.00 0.00 175.30 174.75 3i7d h LEU 33 N 11.59 0.61 -0.17 2.53 3.38 -1.08 -2.30 115.31 129.87 3i7d h LEU 33 Ca 0.21 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3i7d h LEU 33 Cb 1.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3i7d h LEU 33 CO 1.29 1.05 0.03 1.23 0.09 0.00 0.00 178.44 182.13 3i7d h GLY 34 N 1.07 0.31 0.96 0.83 0.00 -1.65 -2.23 103.07 102.36 3i7d h GLY 34 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 3i7d h GLY 34 CO 0.11 0.19 0.18 -0.55 0.00 0.00 0.00 176.54 176.47 3i7d h ASP 35 N 0.07 0.65 -0.39 0.19 3.32 -1.78 -0.68 116.42 117.81 3i7d h ASP 35 Ca 0.05 -0.17 0.11 0.00 0.02 0.00 0.00 57.03 57.04 3i7d h ASP 35 Cb 0.30 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3i7d h ASP 35 CO 0.00 0.65 0.30 0.00 -1.72 0.00 0.00 179.24 178.47 3i7d h ALA 36 N 1.03 2.31 -0.07 3.45 0.00 -1.32 -1.70 119.26 122.96 3i7d h ALA 36 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3i7d h ALA 36 Cb 0.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3i7d h ALA 36 CO -0.01 -0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.14 3i7d n GLY 37 N -1.59 0.85 2.08 0.00 0.00 -0.66 -4.96 105.19 100.91 3i7d n GLY 37 Ca 0.07 -0.64 -0.03 0.00 0.00 0.00 0.00 46.02 45.42 3i7d n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i7d n GLY 38 N 1.32 0.52 3.85 -0.02 0.00 -0.64 -5.05 105.19 105.18 3i7d n GLY 38 Ca 0.16 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 3i7d n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i7d s LEU 39 N -0.76 4.17 0.00 0.99 1.43 -0.35 -5.00 118.68 119.16 3i7d s LEU 39 Ca 0.00 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 3i7d s LEU 39 Cb 0.00 -3.77 0.00 0.00 0.03 0.00 0.00 46.19 42.45 3i7d s LEU 39 CO 0.00 -0.09 0.00 -1.54 0.23 0.00 0.00 176.35 174.95 3i7d n SER 40 N 0.00 2.15 0.06 2.29 3.41 -1.26 -4.47 113.62 115.80 3i7d n SER 40 Ca 0.01 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3i7d n SER 40 Cb 0.52 0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 64.91 3i7d n SER 40 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3i7d h GLN 41 N 0.00 0.00 -3.80 4.33 4.20 -1.94 -3.43 115.11 114.46 3i7d h GLN 41 Ca 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 3i7d h GLN 41 Cb 0.00 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 27.62 3i7d h GLN 41 CO 0.00 0.37 -0.46 -0.59 -0.67 0.00 0.00 178.83 177.48 3i7d s PHE 42 N -2.92 0.19 0.15 2.96 -0.12 -1.26 -1.25 117.98 115.73 3i7d s PHE 42 Ca -0.01 -0.55 -0.04 0.00 -0.05 0.00 0.00 56.93 56.28 3i7d s PHE 42 Cb 0.08 -0.12 -0.05 0.00 -0.63 0.00 0.00 43.02 42.30 3i7d s PHE 42 CO 0.79 -0.44 0.38 0.20 -0.05 0.00 0.00 175.22 176.10 3i7d s GLY 43 N -2.46 2.18 -0.14 1.99 0.00 0.71 -4.80 107.32 104.80 3i7d s GLY 43 Ca -0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 44.72 44.11 3i7d s GLY 43 CO -0.07 -0.52 -0.00 0.14 0.00 0.00 0.00 173.10 172.65 3i7d s VAL 44 N -1.69 0.64 -0.04 1.40 1.01 -1.26 -1.86 120.40 118.59 3i7d s VAL 44 Ca 0.41 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.12 3i7d s VAL 44 Cb -0.12 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 3i7d s VAL 44 CO 0.25 0.06 -0.21 0.20 0.00 0.00 0.00 175.10 175.41 3i7d s ASN 45 N 1.84 2.58 -0.42 3.32 0.01 -0.13 -0.36 114.94 121.78 3i7d s ASN 45 Ca 0.02 -0.42 -0.16 0.00 -0.71 0.00 0.00 52.86 51.58 3i7d s ASN 45 Cb -0.15 -0.64 0.02 0.00 0.41 0.00 0.00 41.25 40.89 3i7d s ASN 45 CO -0.07 0.21 0.37 -0.22 -1.51 0.00 0.00 177.10 175.88 3i7d s LEU 46 N -0.13 5.00 -0.17 0.60 2.96 -0.52 -0.81 118.68 125.61 3i7d s LEU 46 Ca -0.02 -0.80 -0.05 0.00 -0.22 0.00 0.00 54.13 53.04 3i7d s LEU 46 Cb -0.12 -2.28 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 3i7d s LEU 46 CO 0.02 -0.52 0.01 -0.69 -1.32 0.00 0.00 176.35 173.85 3i7d s VAL 47 N 1.91 4.25 -0.19 1.68 1.01 0.35 -0.94 120.40 128.47 3i7d s VAL 47 Ca 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 3i7d s VAL 47 Cb -0.18 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 3i7d s VAL 47 CO 0.12 0.47 -0.04 -0.60 0.00 0.00 0.00 175.10 175.04 3i7d s ARG 48 N 0.45 3.51 -0.27 2.72 3.52 0.11 -1.14 118.95 127.84 3i7d s ARG 48 Ca -0.01 -0.58 -0.05 0.00 -0.13 0.00 0.00 55.73 54.96 3i7d s ARG 48 Cb -0.14 -2.94 0.01 0.00 -1.56 0.00 0.00 34.95 30.33 3i7d s ARG 48 CO 0.02 0.02 0.02 -0.51 -0.81 0.00 0.00 175.30 174.04 3i7d s LEU 49 N 0.92 3.56 0.81 -0.88 1.43 0.13 -1.55 118.68 123.10 3i7d s LEU 49 Ca -0.00 -0.75 -0.10 0.00 -1.03 0.00 0.00 54.13 52.24 3i7d s LEU 49 Cb -0.15 -1.79 0.08 0.00 0.03 0.00 0.00 46.19 44.36 3i7d s LEU 49 CO 0.01 -0.16 1.10 -1.61 0.23 0.00 0.00 176.35 175.92 3i7d s GLU 50 N 1.43 1.95 -0.03 1.70 0.41 0.51 -1.27 118.70 123.40 3i7d s GLU 50 Ca 0.02 1.22 -0.38 0.00 -0.41 0.00 0.00 54.97 55.42 3i7d s GLU 50 Cb -0.17 -1.86 -0.16 0.00 -1.78 0.00 0.00 34.13 30.16 3i7d s GLU 50 CO -0.00 -1.88 1.46 -2.30 -0.49 0.00 0.00 175.26 172.05 3i7d n PRO 51 N -3.69 1.12 0.00 0.39 -0.02 -1.26 -0.78 135.00 130.76 3i7d n PRO 51 Ca 0.09 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3i7d n PRO 51 Cb 0.53 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3i7d n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i7d n GLY 52 N 3.03 2.74 3.81 -1.23 0.00 0.57 -5.05 105.19 109.06 3i7d n GLY 52 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 3i7d n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7d s ALA 53 N -2.20 2.40 0.10 4.61 0.00 0.04 -4.72 121.76 121.99 3i7d s ALA 53 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 51.90 3i7d s ALA 53 Cb 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 3i7d s ALA 53 CO 0.00 -1.55 -0.10 0.15 0.00 0.00 0.00 175.76 174.26 3i7d s LYS 54 N -5.11 0.87 0.39 0.00 1.02 -1.26 -1.16 119.74 114.48 3i7d s LYS 54 Ca 0.60 -1.20 0.20 0.00 0.02 0.00 0.00 55.97 55.59 3i7d s LYS 54 Cb -0.14 -0.53 0.65 0.00 -0.52 0.00 0.00 37.83 37.29 3i7d s LYS 54 CO 0.55 0.08 1.71 0.66 -0.92 0.00 0.00 175.35 177.42 3i7d h SER 55 N 3.44 0.00 0.00 2.83 4.64 -1.44 -3.43 113.55 119.60 3i7d h SER 55 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3i7d h SER 55 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3i7d h SER 55 CO 0.55 0.32 0.00 -1.54 -0.87 0.00 0.00 176.83 175.29 3i7d n SER 56 N -3.39 0.00 -4.77 4.97 3.41 -1.26 -4.96 113.62 107.62 3i7d n SER 56 Ca 0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 3i7d n SER 56 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 3i7d n SER 56 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3i7d s LEU 57 N 0.00 4.32 0.02 1.04 1.43 -1.26 -4.74 118.68 119.50 3i7d s LEU 57 Ca 0.00 2.12 -0.33 0.00 -1.03 0.00 0.00 54.13 54.89 3i7d s LEU 57 Cb 0.00 -3.94 -0.12 0.00 0.03 0.00 0.00 46.19 42.16 3i7d s LEU 57 CO 0.00 -0.32 1.81 -1.14 0.23 0.00 0.00 176.35 176.93 3i7d n ARG 58 N 0.49 2.36 -3.93 1.70 0.63 -1.26 -4.84 116.66 111.81 3i7d n ARG 58 Ca 0.02 0.86 -0.10 0.00 -0.92 0.00 0.00 57.85 57.72 3i7d n ARG 58 Cb 0.48 -2.71 -0.02 0.00 0.45 0.00 0.00 32.46 30.66 3i7d n ARG 58 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 3i7d s HIS 59 N 3.09 0.32 0.00 -0.14 -3.43 -0.88 -0.91 115.29 113.34 3i7d s HIS 59 Ca 0.87 -0.77 -0.04 0.00 -0.80 0.00 0.00 55.06 54.32 3i7d s HIS 59 Cb -0.62 0.44 -0.00 0.00 -1.43 0.00 0.00 32.58 30.96 3i7d s HIS 59 CO 0.45 -1.25 0.08 1.52 -2.00 0.00 0.00 174.74 173.53 3i7d s TYR 60 N -3.28 0.10 0.00 0.38 1.13 -0.68 -0.03 117.35 114.97 3i7d s TYR 60 Ca 0.20 -0.22 0.00 0.00 -1.41 0.00 0.00 57.07 55.63 3i7d s TYR 60 Cb -0.03 -0.09 0.00 0.00 -1.10 0.00 0.00 41.96 40.74 3i7d s TYR 60 CO 0.12 -0.23 0.00 0.72 -2.51 0.00 0.00 175.55 173.65 3i7d n HIS 61 N 1.68 -1.01 0.00 -3.49 8.25 -1.26 -1.68 115.22 117.71 3i7d n HIS 61 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 3i7d n HIS 61 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 3i7d n HIS 61 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3i7d n GLU 63 N -0.30 0.00 -4.28 -0.41 1.02 -1.26 -0.61 120.64 114.81 3i7d n GLU 63 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 3i7d n GLU 63 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.29 3i7d n GLU 63 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3i7d s GLN 64 N -1.09 3.48 0.65 3.49 -0.21 -1.26 -4.86 119.66 119.85 3i7d s GLN 64 Ca 0.00 -0.60 -0.17 0.00 0.02 0.00 0.00 55.36 54.60 3i7d s GLN 64 Cb 0.00 -2.89 -0.01 0.00 1.00 0.00 0.00 33.01 31.11 3i7d s GLN 64 CO 0.00 0.04 1.21 -0.51 -2.12 0.00 0.00 175.29 173.91 3i7d s ASP 65 N 0.86 4.80 -0.02 5.90 1.01 -1.26 -3.91 116.67 124.04 3i7d s ASP 65 Ca -0.02 2.38 -0.02 0.00 0.71 0.00 0.00 52.55 55.61 3i7d s ASP 65 Cb -0.15 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.20 3i7d s ASP 65 CO 0.01 -1.86 0.06 -0.70 0.21 0.00 0.00 175.17 172.90 3i7d s GLU 66 N -3.57 0.06 -0.01 8.23 2.12 -0.58 -2.20 118.70 122.76 3i7d s GLU 66 Ca 0.76 0.10 0.03 0.00 0.36 0.00 0.00 54.97 56.23 3i7d s GLU 66 Cb -0.30 0.01 -0.01 0.00 0.26 0.00 0.00 34.13 34.09 3i7d s GLU 66 CO 0.38 -0.02 -0.10 0.12 -0.54 0.00 0.00 175.26 175.09 3i7d s PHE 67 N 0.14 0.94 0.17 5.30 2.19 0.28 -0.91 117.98 126.10 3i7d s PHE 67 Ca -0.01 -0.18 0.02 0.00 0.33 0.00 0.00 56.93 57.08 3i7d s PHE 67 Cb -0.02 -0.61 -0.01 0.00 -1.31 0.00 0.00 43.02 41.07 3i7d s PHE 67 CO -0.00 -0.03 0.06 0.28 1.83 0.00 0.00 175.22 177.37 3i7d n VAL 68 N 2.87 0.00 -4.53 3.12 0.31 -0.17 -0.41 118.33 119.52 3i7d n VAL 68 Ca -0.14 -0.99 -0.23 0.00 -0.01 0.00 0.00 64.34 62.96 3i7d n VAL 68 Cb 0.56 0.37 -0.16 0.00 -0.91 0.00 0.00 33.84 33.70 3i7d n VAL 68 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3i7d s VAL 70 N -2.21 1.04 -0.14 2.52 1.01 0.13 -1.01 120.40 121.75 3i7d s VAL 70 Ca 0.09 -0.44 0.11 0.00 0.00 0.00 0.00 61.98 61.74 3i7d s VAL 70 Cb 0.00 -0.94 -0.16 0.00 0.00 0.00 0.00 36.38 35.28 3i7d s VAL 70 CO 0.06 0.33 0.02 0.35 0.00 0.00 0.00 175.10 175.87 3i7d n THR 71 N 3.67 0.95 -3.58 3.92 -2.24 -0.50 -0.65 114.28 115.85 3i7d n THR 71 Ca -0.22 -0.56 -0.12 0.00 -2.27 0.00 0.00 64.05 60.88 3i7d n THR 71 Cb 0.52 -0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 68.01 3i7d n THR 71 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3i7d s GLU 72 N -2.33 1.08 1.79 -0.78 -1.05 -1.03 -4.79 118.70 111.58 3i7d s GLU 72 Ca -0.09 -0.44 0.00 0.00 -0.15 0.00 0.00 54.97 54.30 3i7d s GLU 72 Cb 0.04 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.22 3i7d s GLU 72 CO 0.54 -0.41 0.00 0.41 0.95 0.00 0.00 175.26 176.75 3i7d n GLY 73 N 0.08 -1.27 3.04 -3.83 0.00 -1.26 -1.03 105.19 100.91 3i7d n GLY 73 Ca -0.17 -1.23 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 3i7d n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7d s ALA 74 N -1.30 0.99 0.31 4.61 0.00 -1.26 -3.79 121.76 121.32 3i7d s ALA 74 Ca 0.00 -0.43 0.06 0.00 0.00 0.00 0.00 51.96 51.60 3i7d s ALA 74 Cb 0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 23.12 22.72 3i7d s ALA 74 CO 0.00 0.18 -0.02 -0.51 0.00 0.00 0.00 175.76 175.41 3i7d s LEU 75 N 0.07 2.47 -0.16 0.00 1.43 -1.26 -4.58 118.68 116.64 3i7d s LEU 75 Ca -0.02 -1.26 0.00 0.00 -1.03 0.00 0.00 54.13 51.83 3i7d s LEU 75 Cb -0.08 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.51 3i7d s LEU 75 CO 0.01 -0.41 -0.16 -0.69 0.23 0.00 0.00 176.35 175.32 3i7d s VAL 76 N -3.02 2.54 -0.28 -1.59 1.01 -0.40 -4.43 120.40 114.23 3i7d s VAL 76 Ca 0.32 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 3i7d s VAL 76 Cb 0.06 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 3i7d s VAL 76 CO 0.14 0.51 0.59 -0.22 0.00 0.00 0.00 175.10 176.12 3i7d s LEU 77 N 0.97 4.10 -0.24 3.92 2.96 0.77 -0.83 118.68 130.33 3i7d s LEU 77 Ca -0.02 0.53 -0.09 0.00 -0.22 0.00 0.00 54.13 54.32 3i7d s LEU 77 Cb -0.15 -2.77 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 3i7d s LEU 77 CO -0.03 -0.39 0.11 -0.69 -1.32 0.00 0.00 176.35 174.03 3i7d s VAL 78 N 2.47 4.77 0.00 1.68 1.01 -0.41 -0.00 120.40 129.92 3i7d s VAL 78 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.20 3i7d s VAL 78 Cb -0.15 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.00 3i7d s VAL 78 CO 0.10 0.34 0.00 -0.90 0.00 0.00 0.00 175.10 174.64 3i7d n ASP 79 N 4.62 0.18 0.26 3.32 5.68 0.06 -2.08 116.55 128.60 3i7d n ASP 79 Ca -0.16 -0.45 0.08 0.00 -0.50 0.00 0.00 54.79 53.77 3i7d n ASP 79 Cb 0.52 0.00 0.64 0.00 -1.14 0.00 0.00 41.12 41.14 3i7d n ASP 79 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3i7d h ASP 80 N 0.00 0.00 -0.07 -1.12 3.32 -1.89 -1.47 116.42 115.19 3i7d h ASP 80 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i7d h ASP 80 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3i7d h ASP 80 CO 0.00 0.03 0.00 0.00 -1.72 0.00 0.00 179.24 177.55 3i7d n GLN 81 N -4.44 1.41 0.00 3.56 3.00 -1.26 -5.04 117.38 114.62 3i7d n GLN 81 Ca -0.03 -0.62 0.00 0.00 -0.01 0.00 0.00 57.00 56.34 3i7d n GLN 81 Cb 0.12 -1.39 0.00 0.00 0.00 0.00 0.00 30.24 28.96 3i7d n GLN 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i7d n GLY 82 N 1.02 0.36 3.78 1.08 0.00 -0.55 -4.99 105.19 105.88 3i7d n GLY 82 Ca 0.17 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 3i7d n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7d s GLU 83 N 0.00 3.74 -0.15 1.61 2.02 -1.26 -0.76 118.70 123.91 3i7d s GLU 83 Ca 0.00 -0.21 -0.01 0.00 0.02 0.00 0.00 54.97 54.77 3i7d s GLU 83 Cb 0.00 -3.24 0.04 0.00 0.10 0.00 0.00 34.13 31.03 3i7d s GLU 83 CO 0.00 0.54 -0.01 -1.01 0.02 0.00 0.00 175.26 174.80 3i7d s HIS 84 N -0.35 1.19 0.17 1.61 3.76 1.00 -4.95 115.29 117.71 3i7d s HIS 84 Ca 0.11 -0.74 -0.03 0.00 -0.15 0.00 0.00 55.06 54.25 3i7d s HIS 84 Cb -0.12 -1.07 0.04 0.00 1.11 0.00 0.00 32.58 32.54 3i7d s HIS 84 CO 0.01 -0.53 0.15 -0.35 -0.85 0.00 0.00 174.74 173.17 3i7d n PRO 85 N 5.01 -1.33 -3.77 8.40 -0.04 -1.26 -0.16 135.00 141.85 3i7d n PRO 85 Ca -0.10 -0.23 -0.01 0.00 -0.04 0.00 0.00 63.50 63.12 3i7d n PRO 85 Cb 0.48 -0.22 0.00 0.00 -0.04 0.00 0.00 33.50 33.72 3i7d n PRO 85 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3i7d s VAL 87 N -1.26 0.00 0.24 0.52 -7.23 -1.26 -4.86 120.40 106.54 3i7d s VAL 87 Ca 0.09 -0.44 -0.31 0.00 -1.81 0.00 0.00 61.98 59.51 3i7d s VAL 87 Cb -0.01 -2.35 -0.12 0.00 0.56 0.00 0.00 36.38 34.46 3i7d s VAL 87 CO 0.07 0.00 1.68 -2.65 -0.31 0.00 0.00 175.10 173.89 3i7d n PRO 88 N -0.59 2.74 0.00 4.82 -0.02 -1.25 -1.09 135.00 139.61 3i7d n PRO 88 Ca -0.05 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3i7d n PRO 88 Cb 0.61 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 3i7d n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i7d n GLY 89 N 3.30 3.08 3.77 -1.23 0.00 0.18 -4.99 105.19 109.29 3i7d n GLY 89 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3i7d n GLY 89 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i7d s ASP 90 N -1.16 6.79 0.04 1.61 1.01 -0.25 -4.81 116.67 119.91 3i7d s ASP 90 Ca 0.00 2.37 0.05 0.00 0.71 0.00 0.00 52.55 55.68 3i7d s ASP 90 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 3i7d s ASP 90 CO 0.00 -0.49 -0.13 0.00 0.21 0.00 0.00 175.17 174.76 3i7d s ALA 92 N -0.93 0.60 -0.05 0.00 0.00 -0.18 -5.01 121.76 116.20 3i7d s ALA 92 Ca 0.00 -0.56 0.05 0.00 0.00 0.00 0.00 51.96 51.45 3i7d s ALA 92 Cb -0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 3i7d s ALA 92 CO 0.01 0.07 -0.21 0.00 0.00 0.00 0.00 175.76 175.63 3i7d s ALA 93 N -0.80 1.85 -0.43 0.00 0.00 -1.26 -1.00 121.76 120.11 3i7d s ALA 93 Ca -0.04 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.07 3i7d s ALA 93 Cb -0.07 -0.57 0.12 0.00 0.00 0.00 0.00 23.12 22.60 3i7d s ALA 93 CO 0.00 0.36 0.19 -0.06 0.00 0.00 0.00 175.76 176.25 3i7d s PHE 94 N -0.12 2.75 0.39 0.00 0.08 -0.08 -5.03 117.98 115.97 3i7d s PHE 94 Ca -0.02 -2.73 -0.27 0.00 0.12 0.00 0.00 56.93 54.03 3i7d s PHE 94 Cb -0.12 -2.42 -0.09 0.00 -0.57 0.00 0.00 43.02 39.82 3i7d s PHE 94 CO 0.02 -0.82 1.35 -2.14 -0.10 0.00 0.00 175.22 173.54 3i7d s PRO 95 N 0.41 4.05 0.18 0.24 0.02 -1.26 -1.52 135.00 137.12 3i7d s PRO 95 Ca 0.15 2.27 -0.33 0.00 0.02 0.00 0.00 61.00 63.11 3i7d s PRO 95 Cb -0.23 -2.85 -0.14 0.00 0.02 0.00 0.00 34.50 31.30 3i7d s PRO 95 CO -0.05 -0.47 1.51 0.00 -0.33 0.00 0.00 177.00 177.67 3i7d n ALA 96 N 0.30 1.19 0.00 -1.55 0.00 -1.25 -2.70 120.51 116.50 3i7d n ALA 96 Ca 0.03 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3i7d n ALA 96 Cb 0.42 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.56 3i7d n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i7d n GLY 97 N 2.98 3.32 3.62 0.00 0.00 0.22 -4.91 105.19 110.42 3i7d n GLY 97 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3i7d n GLY 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i7d s ASP 98 N -0.95 6.11 -1.55 1.61 2.15 -1.10 -4.87 116.67 118.08 3i7d s ASP 98 Ca 0.00 1.66 -0.11 0.00 0.43 0.00 0.00 52.55 54.53 3i7d s ASP 98 Cb 0.00 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 40.06 3i7d s ASP 98 CO 0.00 -1.47 2.66 -0.81 -0.17 0.00 0.00 175.17 175.38 3i7d n PRO 99 N 8.03 3.45 -3.86 4.34 -0.04 -1.26 -4.71 135.00 140.94 3i7d n PRO 99 Ca 0.22 -2.43 -0.30 0.00 -0.04 0.00 0.00 63.50 60.95 3i7d n PRO 99 Cb 0.45 -2.97 -0.15 0.00 -0.04 0.00 0.00 33.50 30.80 3i7d n PRO 99 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3i7d s ASN 100 N 2.42 4.31 0.27 3.54 2.47 -1.26 -5.03 114.94 121.67 3i7d s ASN 100 Ca 0.61 -1.81 -0.29 0.00 0.42 0.00 0.00 52.86 51.78 3i7d s ASN 100 Cb 0.16 -1.20 -0.10 0.00 -1.45 0.00 0.00 41.25 38.67 3i7d s ASN 100 CO -0.07 -0.39 1.30 -0.83 -3.72 0.00 0.00 177.10 173.39 3i7d s GLY 101 N 1.31 2.75 0.05 1.21 0.00 -1.26 -4.63 107.32 106.75 3i7d s GLY 101 Ca 0.09 1.18 0.02 0.00 0.00 0.00 0.00 44.72 46.02 3i7d s GLY 101 CO -0.17 1.96 -0.08 -2.38 0.00 0.00 0.00 173.10 172.43 3i7d s HIS 102 N -0.60 0.75 0.14 1.90 -3.43 0.96 -3.67 115.29 111.33 3i7d s HIS 102 Ca 0.52 -0.56 -0.16 0.00 -0.80 0.00 0.00 55.06 54.06 3i7d s HIS 102 Cb -0.38 -0.44 0.03 0.00 -1.43 0.00 0.00 32.58 30.36 3i7d s HIS 102 CO 0.46 -0.08 0.43 1.14 -2.00 0.00 0.00 174.74 174.68 3i7d s GLN 103 N -1.95 1.15 -0.07 -0.38 -2.07 -0.88 -2.07 119.66 113.38 3i7d s GLN 103 Ca -0.06 -0.76 0.02 0.00 -1.82 0.00 0.00 55.36 52.74 3i7d s GLN 103 Cb -0.08 0.48 -0.02 0.00 -1.09 0.00 0.00 33.01 32.30 3i7d s GLN 103 CO -0.00 -0.46 -0.12 -0.06 -1.32 0.00 0.00 175.29 173.33 3i7d s PHE 104 N -3.83 2.78 -0.04 9.60 0.40 -1.26 -1.29 117.98 124.34 3i7d s PHE 104 Ca 0.05 -0.23 0.05 0.00 -0.60 0.00 0.00 56.93 56.20 3i7d s PHE 104 Cb 0.01 -1.70 -0.01 0.00 0.51 0.00 0.00 43.02 41.83 3i7d s PHE 104 CO -0.09 0.12 -0.20 0.08 0.70 0.00 0.00 175.22 175.82 3i7d s VAL 105 N -0.48 1.67 -0.57 -0.44 1.01 -0.01 -0.97 120.40 120.61 3i7d s VAL 105 Ca 0.06 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 60.98 3i7d s VAL 105 Cb -0.12 -1.41 0.08 0.00 0.00 0.00 0.00 36.38 34.93 3i7d s VAL 105 CO 0.02 0.47 0.73 0.21 0.00 0.00 0.00 175.10 176.53 3i7d s ASN 106 N -0.14 6.21 0.00 3.32 3.84 -0.31 -1.28 114.94 126.58 3i7d s ASN 106 Ca -0.01 -1.09 0.25 0.00 0.21 0.00 0.00 52.86 52.22 3i7d s ASN 106 Cb -0.11 -2.33 0.60 0.00 -0.55 0.00 0.00 41.25 38.86 3i7d s ASN 106 CO 0.02 -1.09 1.49 0.54 -2.79 0.00 0.00 177.10 175.27 3i7d n ARG 107 N 6.57 2.04 -2.29 0.43 1.74 -1.26 -0.31 116.66 123.57 3i7d n ARG 107 Ca -0.07 -1.52 -0.26 0.00 -0.77 0.00 0.00 57.85 55.24 3i7d n ARG 107 Cb 0.44 -1.47 0.11 0.00 -1.02 0.00 0.00 32.46 30.53 3i7d n ARG 107 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3i7d s THR 108 N -1.92 2.17 -2.12 0.55 -4.23 -1.26 -4.89 115.64 103.94 3i7d s THR 108 Ca 0.33 -0.34 0.21 0.00 -1.18 0.00 0.00 61.69 60.71 3i7d s THR 108 Cb 0.20 -2.84 0.54 0.00 1.34 0.00 0.00 72.50 71.75 3i7d s THR 108 CO 0.31 0.00 1.47 -0.67 -0.54 0.00 0.00 174.62 175.19 3i7d n ASP 109 N -3.08 3.40 -4.47 3.99 2.03 -1.26 -4.24 116.55 112.93 3i7d n ASP 109 Ca 0.12 -1.98 -0.24 0.00 0.52 0.00 0.00 54.79 53.21 3i7d n ASP 109 Cb 0.60 -0.38 -0.10 0.00 -0.72 0.00 0.00 41.12 40.52 3i7d n ASP 109 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i7d s ALA 110 N -1.24 2.69 0.72 -1.67 0.00 -1.26 -4.85 121.76 116.15 3i7d s ALA 110 Ca 0.42 -1.91 -0.14 0.00 0.00 0.00 0.00 51.96 50.32 3i7d s ALA 110 Cb 0.23 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.23 3i7d s ALA 110 CO 0.30 0.17 1.15 -2.14 0.00 0.00 0.00 175.76 175.25 3i7d s PRO 111 N -3.57 2.34 0.03 0.00 0.02 -1.26 -4.19 135.00 128.36 3i7d s PRO 111 Ca 0.30 1.55 0.02 0.00 0.02 0.00 0.00 61.00 62.89 3i7d s PRO 111 Cb -0.02 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.61 3i7d s PRO 111 CO 0.14 -1.64 -0.07 0.00 -0.33 0.00 0.00 177.00 175.10 3i7d s ALA 112 N -2.24 0.58 0.09 -1.55 0.00 -0.39 -4.32 121.76 113.92 3i7d s ALA 112 Ca 0.70 -0.59 0.07 0.00 0.00 0.00 0.00 51.96 52.14 3i7d s ALA 112 Cb -0.24 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 3i7d s ALA 112 CO 0.45 0.04 -0.19 0.99 0.00 0.00 0.00 175.76 177.06 3i7d s THR 113 N -0.91 1.50 0.01 0.00 2.01 -0.20 0.20 115.64 118.25 3i7d s THR 113 Ca -0.05 -1.44 -0.06 0.00 0.31 0.00 0.00 61.69 60.45 3i7d s THR 113 Cb -0.07 -1.38 -0.00 0.00 0.01 0.00 0.00 72.50 71.06 3i7d s THR 113 CO 0.00 -0.10 0.12 0.72 -0.69 0.00 0.00 174.62 174.67 3i7d s PHE 114 N -1.18 0.07 -0.14 4.92 -0.71 -0.29 -1.40 117.98 119.26 3i7d s PHE 114 Ca 0.04 -0.20 -0.18 0.00 -1.04 0.00 0.00 56.93 55.55 3i7d s PHE 114 Cb -0.10 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.60 3i7d s PHE 114 CO 0.03 -0.28 0.46 -1.17 -1.34 0.00 0.00 175.22 172.92 3i7d s LEU 115 N -1.43 4.25 -0.08 -1.99 2.96 -1.26 -0.50 118.68 120.63 3i7d s LEU 115 Ca -0.15 0.75 0.03 0.00 -0.22 0.00 0.00 54.13 54.55 3i7d s LEU 115 Cb -0.08 -2.66 0.01 0.00 0.50 0.00 0.00 46.19 43.96 3i7d s LEU 115 CO 0.01 -0.02 -0.17 0.54 -1.32 0.00 0.00 176.35 175.39 3i7d s VAL 116 N 0.77 1.55 -0.10 1.68 0.11 0.01 -4.17 120.40 120.25 3i7d s VAL 116 Ca 0.24 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.59 3i7d s VAL 116 Cb -0.15 -1.37 -0.02 0.00 -1.53 0.00 0.00 36.38 33.31 3i7d s VAL 116 CO 0.09 0.45 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.47 3i7d s VAL 117 N 0.53 2.93 -0.04 2.04 1.01 0.45 -0.96 120.40 126.37 3i7d s VAL 117 Ca -0.16 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 3i7d s VAL 117 Cb -0.17 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 34.04 3i7d s VAL 117 CO 0.06 0.55 0.09 -0.83 0.00 0.00 0.00 175.10 174.97 3i7d s GLY 118 N 0.02 -0.01 0.41 4.51 0.00 -0.78 -0.55 107.32 110.92 3i7d s GLY 118 Ca -0.05 0.41 -0.26 0.00 0.00 0.00 0.00 44.72 44.83 3i7d s GLY 118 CO 0.04 0.61 1.22 2.41 0.00 0.00 0.00 173.10 177.39 3i7d n THR 119 N 3.76 2.49 -3.34 0.90 -1.04 -0.94 -0.21 114.28 115.91 3i7d n THR 119 Ca -0.21 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 60.91 3i7d n THR 119 Cb 0.54 -1.48 -0.07 0.00 -1.82 0.00 0.00 70.33 67.50 3i7d n THR 119 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3i7d s ARG 120 N -2.14 4.21 0.09 -2.82 1.81 -0.38 -4.70 118.95 115.02 3i7d s ARG 120 Ca 0.61 0.31 0.04 0.00 -1.72 0.00 0.00 55.73 54.96 3i7d s ARG 120 Cb -0.53 -3.52 -0.03 0.00 -0.45 0.00 0.00 34.95 30.42 3i7d s ARG 120 CO 0.58 -0.03 -0.10 0.95 -0.68 0.00 0.00 175.30 176.02 3i7d s THR 121 N 1.27 0.89 0.21 0.02 -4.23 -1.26 -4.80 115.64 107.74 3i7d s THR 121 Ca 0.22 -1.55 -0.09 0.00 -1.18 0.00 0.00 61.69 59.08 3i7d s THR 121 Cb -0.15 -1.25 0.15 0.00 1.34 0.00 0.00 72.50 72.60 3i7d s THR 121 CO 0.09 -0.52 1.85 -0.65 -0.54 0.00 0.00 174.62 174.85 3i7d h PRO 122 N 3.72 0.85 -5.65 3.99 0.11 -1.98 -3.44 132.00 129.62 3i7d h PRO 122 Ca -0.37 -0.05 -0.47 0.00 0.11 0.00 0.00 66.00 65.22 3i7d h PRO 122 Cb 1.19 -0.19 -0.15 0.00 0.11 0.00 0.00 31.00 31.95 3i7d h PRO 122 CO 0.51 0.56 -0.75 0.95 -0.21 0.00 0.00 178.00 179.06 3i7d s THR 123 N -6.11 1.74 -0.00 -1.15 -4.23 -1.26 -3.74 115.64 100.89 3i7d s THR 123 Ca -0.13 -2.11 -0.18 0.00 -1.18 0.00 0.00 61.69 58.09 3i7d s THR 123 Cb 0.16 -1.97 0.03 0.00 1.34 0.00 0.00 72.50 72.06 3i7d s THR 123 CO 0.77 -0.52 0.39 -0.70 -0.54 0.00 0.00 174.62 174.02 3i7d s GLU 124 N -3.38 0.79 -0.07 3.99 2.56 -0.20 -4.86 118.70 117.53 3i7d s GLU 124 Ca 0.20 -0.18 0.02 0.00 0.00 0.00 0.00 54.97 55.01 3i7d s GLU 124 Cb -0.02 0.35 0.01 0.00 2.00 0.00 0.00 34.13 36.48 3i7d s GLU 124 CO 0.07 -0.24 -0.11 0.99 -0.56 0.00 0.00 175.26 175.41 3i7d s THR 125 N -1.61 1.07 -0.03 -1.70 2.01 -1.26 -0.07 115.64 114.05 3i7d s THR 125 Ca -0.11 -0.43 0.06 0.00 0.31 0.00 0.00 61.69 61.51 3i7d s THR 125 Cb -0.03 -0.99 -0.02 0.00 0.01 0.00 0.00 72.50 71.46 3i7d s THR 125 CO 0.03 0.34 -0.19 0.00 -0.69 0.00 0.00 174.62 174.11 3i7d s ALA 126 N 0.76 2.45 -0.12 7.40 0.00 -0.74 -4.47 121.76 127.04 3i7d s ALA 126 Ca -0.13 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.76 3i7d s ALA 126 Cb -0.15 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 3i7d s ALA 126 CO 0.03 0.55 -0.01 0.71 0.00 0.00 0.00 175.76 177.03 3i7d s TYR 127 N -0.69 3.10 -0.17 0.00 2.02 -0.68 -1.39 117.35 119.53 3i7d s TYR 127 Ca 0.11 -0.01 -0.16 0.00 -0.37 0.00 0.00 57.07 56.65 3i7d s TYR 127 Cb -0.10 -1.87 -0.04 0.00 -0.40 0.00 0.00 41.96 39.55 3i7d s TYR 127 CO 0.00 0.25 0.38 0.71 -1.57 0.00 0.00 175.55 175.31 3i7d s TYR 128 N -0.31 3.43 0.18 2.71 2.02 -1.26 -1.69 117.35 122.42 3i7d s TYR 128 Ca 0.06 0.65 0.04 0.00 -0.37 0.00 0.00 57.07 57.45 3i7d s TYR 128 Cb -0.12 -2.47 0.04 0.00 -0.40 0.00 0.00 41.96 39.01 3i7d s TYR 128 CO 0.02 0.10 1.41 0.77 -1.57 0.00 0.00 175.55 176.28 3i7d h SER 129 N 7.03 0.22 -0.64 2.29 0.02 -1.39 -3.44 113.55 117.64 3i7d h SER 129 Ca -0.39 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 3i7d h SER 129 Cb 1.17 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.64 3i7d h SER 129 CO 0.74 0.96 0.00 0.47 -1.14 0.00 0.00 176.83 177.85 3i7d n ASP 130 N -3.67 4.62 -4.33 3.07 8.00 -1.26 -5.10 116.55 117.88 3i7d n ASP 130 Ca -0.03 -2.41 -0.46 0.00 0.71 0.00 0.00 54.79 52.60 3i7d n ASP 130 Cb 0.78 -0.57 -0.05 0.00 -0.02 0.00 0.00 41.12 41.25 3i7d n ASP 130 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3i7d s ASP 132 N -0.88 6.18 -0.05 -2.24 2.15 -1.26 -5.15 116.67 115.42 3i7d s ASP 132 Ca 0.50 -1.70 -0.08 0.00 0.43 0.00 0.00 52.55 51.70 3i7d s ASP 132 Cb 0.32 -2.21 0.01 0.00 -0.30 0.00 0.00 42.92 40.74 3i7d s ASP 132 CO 0.25 -0.84 0.20 0.54 -0.17 0.00 0.00 175.17 175.15 3i7d s VAL 135 N 1.65 0.03 -0.15 1.11 0.11 -0.49 -4.20 120.40 118.47 3i7d s VAL 135 Ca 0.04 -0.28 0.01 0.00 -2.93 0.00 0.00 61.98 58.82 3i7d s VAL 135 Cb -0.29 -0.38 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 3i7d s VAL 135 CO 0.04 -0.15 -0.18 -0.54 -3.33 0.00 0.00 175.10 170.93 3i7d s LYS 136 N -0.54 3.12 -0.10 1.54 1.02 -0.04 -1.80 119.74 122.94 3i7d s LYS 136 Ca -0.06 -0.80 -0.01 0.00 0.02 0.00 0.00 55.97 55.11 3i7d s LYS 136 Cb -0.04 -2.54 -0.03 0.00 -0.52 0.00 0.00 37.83 34.70 3i7d s LYS 136 CO 0.01 -0.01 -0.04 -1.14 -0.92 0.00 0.00 175.35 173.25 3i7d s GLN 137 N 0.85 3.06 0.00 1.68 0.74 0.90 -0.07 119.66 126.82 3i7d s GLN 137 Ca -0.05 -0.49 0.00 0.00 0.05 0.00 0.00 55.36 54.87 3i7d s GLN 137 Cb -0.15 -2.74 0.00 0.00 1.10 0.00 0.00 33.01 31.22 3i7d s GLN 137 CO -0.02 0.58 0.00 -0.40 -0.55 0.00 0.00 175.29 174.90 3i7d n ASP 138 N 2.51 0.06 0.28 6.67 5.68 -0.38 -1.03 116.55 130.33 3i7d n ASP 138 Ca -0.18 -0.68 0.15 0.00 -0.50 0.00 0.00 54.79 53.58 3i7d n ASP 138 Cb 0.53 0.00 0.81 0.00 -1.14 0.00 0.00 41.12 41.32 3i7d n ASP 138 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i7d h ALA 139 N 1.00 1.22 -0.00 2.12 0.00 -1.92 -1.75 119.26 119.93 3i7d h ALA 139 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3i7d h ALA 139 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3i7d h ALA 139 CO 0.00 0.10 -0.18 -1.13 0.00 0.00 0.00 179.25 178.04 3i7d n SER 140 N -3.49 0.38 0.00 0.00 3.41 -1.26 -5.06 113.62 107.60 3i7d n SER 140 Ca -0.02 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 3i7d n SER 140 Cb 0.21 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 3i7d n SER 140 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i7d n GLY 141 N 1.38 0.42 3.21 5.00 0.00 -0.66 -5.08 105.19 109.46 3i7d n GLY 141 Ca 0.11 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 3i7d n GLY 141 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i7d s PHE 142 N -1.50 2.55 -0.37 1.61 0.40 -1.26 -1.25 117.98 118.15 3i7d s PHE 142 Ca 0.00 -1.08 -0.06 0.00 -0.60 0.00 0.00 56.93 55.20 3i7d s PHE 142 Cb 0.00 -1.71 0.07 0.00 0.51 0.00 0.00 43.02 41.89 3i7d s PHE 142 CO 0.00 -0.44 0.15 0.00 0.70 0.00 0.00 175.22 175.63 3i7d s ALA 143 N 0.41 3.09 -0.04 5.36 0.00 0.89 -4.94 121.76 126.53 3i7d s ALA 143 Ca -0.17 -2.03 -0.22 0.00 0.00 0.00 0.00 51.96 49.54 3i7d s ALA 143 Cb -0.18 -2.34 -0.05 0.00 0.00 0.00 0.00 23.12 20.55 3i7d s ALA 143 CO 0.07 -1.51 0.63 -0.06 0.00 0.00 0.00 175.76 174.89 3i7d s PHE 144 N 1.32 3.63 0.29 0.00 0.40 -1.26 -0.86 117.98 121.51 3i7d s PHE 144 Ca 0.01 1.20 -0.06 0.00 -0.60 0.00 0.00 56.93 57.48 3i7d s PHE 144 Cb -0.21 -2.68 -0.00 0.00 0.51 0.00 0.00 43.02 40.63 3i7d s PHE 144 CO 0.00 0.23 0.43 0.95 0.70 0.00 0.00 175.22 177.54 3i7d s THR 145 N 0.26 0.00 0.91 0.64 -4.23 -1.26 -4.59 115.64 107.37 3i7d s THR 145 Ca 0.33 -1.58 -0.12 0.00 -1.18 0.00 0.00 61.69 59.14 3i7d s THR 145 Cb -0.18 -2.48 0.14 0.00 1.34 0.00 0.00 72.50 71.32 3i7d s THR 145 CO 0.17 0.00 1.10 -0.13 -0.54 0.00 0.00 174.62 175.22 3i7d s ARG 146 N -3.52 1.12 0.52 3.99 0.52 0.35 -4.66 118.95 117.28 3i7d s ARG 146 Ca 0.29 0.59 0.34 0.00 -0.52 0.00 0.00 55.73 56.43 3i7d s ARG 146 Cb 0.00 -1.81 1.54 0.00 0.52 0.00 0.00 34.95 35.20 3i7d s ARG 146 CO 0.15 -2.28 2.02 0.87 0.02 0.00 0.00 175.30 176.08 3i7d h LYS 147 N -1.56 0.00 -0.18 3.54 1.57 -1.88 0.17 116.57 118.22 3i7d h LYS 147 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3i7d h LYS 147 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3i7d h LYS 147 CO 0.58 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.06 3i7d n ASP 148 N -2.92 1.28 0.00 0.86 5.75 -1.26 -4.93 116.55 115.32 3i7d n ASP 148 Ca -0.00 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 3i7d n ASP 148 Cb 0.23 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 3i7d n ASP 148 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i7d n GLY 149 N 0.98 2.50 3.80 6.12 0.00 0.58 -5.04 105.19 114.14 3i7d n GLY 149 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3i7d n GLY 149 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i7d s SER 150 N -3.31 4.77 0.53 1.61 1.04 -1.26 -4.68 113.70 112.39 3i7d s SER 150 Ca 0.00 1.46 -0.21 0.00 0.48 0.00 0.00 55.95 57.68 3i7d s SER 150 Cb 0.00 -2.25 -0.05 0.00 0.10 0.00 0.00 66.02 63.82 3i7d s SER 150 CO 0.00 -1.81 1.23 -2.84 0.98 0.00 0.00 173.24 170.80 3i7d s PRO 151 N -5.09 3.32 0.49 4.02 0.02 -1.26 -0.49 135.00 136.02 3i7d s PRO 151 Ca 0.60 1.92 -0.23 0.00 0.02 0.00 0.00 61.00 63.31 3i7d s PRO 151 Cb -0.15 -2.20 -0.06 0.00 0.02 0.00 0.00 34.50 32.11 3i7d s PRO 151 CO 0.55 -0.95 1.34 -0.51 -0.33 0.00 0.00 177.00 177.10 3i7d s LEU 152 N -3.52 3.98 0.35 -5.54 1.43 -1.26 -4.53 118.68 109.60 3i7d s LEU 152 Ca 0.70 2.73 0.07 0.00 -1.03 0.00 0.00 54.13 56.60 3i7d s LEU 152 Cb -0.32 -4.14 -0.02 0.00 0.03 0.00 0.00 46.19 41.74 3i7d s LEU 152 CO 0.38 -1.30 0.39 0.42 0.23 0.00 0.00 176.35 176.47 3i7d s THR 153 N -1.31 3.56 0.24 5.49 -4.23 -1.26 -4.95 115.64 113.18 3i7d s THR 153 Ca 0.66 -1.20 -0.06 0.00 -1.18 0.00 0.00 61.69 59.91 3i7d s THR 153 Cb -0.39 -3.22 0.23 0.00 1.34 0.00 0.00 72.50 70.46 3i7d s THR 153 CO 0.48 -0.13 1.89 0.00 -0.54 0.00 0.00 174.62 176.32 3i7d h ALA 154 N 1.04 1.21 -0.61 3.99 0.00 -1.95 0.36 119.26 123.32 3i7d h ALA 154 Ca -0.44 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.52 3i7d h ALA 154 Cb 1.26 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3i7d h ALA 154 CO 0.55 0.48 0.41 -0.44 0.00 0.00 0.00 179.25 180.24 3i7d h ASP 155 N 1.17 0.40 0.07 0.00 3.32 -1.95 0.15 116.42 119.58 3i7d h ASP 155 Ca 0.36 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.26 3i7d h ASP 155 Cb -0.01 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 3i7d h ASP 155 CO -0.11 0.24 -0.79 1.56 -1.72 0.00 0.00 179.24 178.42 3i7d h GLN 156 N 0.45 0.15 0.00 3.56 4.20 -1.54 -3.41 115.11 118.51 3i7d h GLN 156 Ca 0.28 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3i7d h GLN 156 Cb 0.50 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.38 3i7d h GLN 156 CO -0.08 1.12 0.00 0.44 -0.67 0.00 0.00 178.83 179.64 3i7d n ILE 157 N -4.27 0.76 -0.59 2.54 -5.35 -0.03 -4.94 119.36 107.49 3i7d n ILE 157 Ca -0.18 -0.86 0.00 0.00 -0.27 0.00 0.00 62.75 61.44 3i7d n ILE 157 Cb 0.72 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 39.24 3i7d n ILE 157 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40