#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 4.25 0.42 -0.52 2.20 -1.26 -5.01 119.74 119.82 3i7d s LYS 3 Ca 0.00 2.03 -0.16 0.00 -0.36 0.00 0.00 55.97 57.49 3i7d s LYS 3 Cb 0.00 -3.67 -0.09 0.00 -1.51 0.00 0.00 37.83 32.57 3i7d s LYS 3 CO 0.00 -0.66 0.86 -0.51 -0.36 0.00 0.00 175.35 174.68 3i7d s LEU 4 N 2.82 3.87 -0.41 5.43 1.43 -1.26 -5.04 118.68 125.51 3i7d s LEU 4 Ca 0.66 1.41 -0.04 0.00 -1.03 0.00 0.00 54.13 55.14 3i7d s LEU 4 Cb -0.32 -4.28 0.11 0.00 0.03 0.00 0.00 46.19 41.73 3i7d s LEU 4 CO 0.27 -0.38 0.22 -0.62 0.23 0.00 0.00 176.35 176.06 3i7d s ASP 5 N -2.67 5.31 0.44 2.29 -1.08 -1.26 -4.98 116.67 114.72 3i7d s ASP 5 Ca 0.56 -1.98 0.21 0.00 -0.52 0.00 0.00 52.55 50.82 3i7d s ASP 5 Cb -0.10 -1.85 1.01 0.00 -1.46 0.00 0.00 42.92 40.52 3i7d s ASP 5 CO 0.23 -0.55 1.90 -0.07 0.52 0.00 0.00 175.17 177.20 3i7d h LEU 6 N 8.10 0.00 -0.87 -1.34 4.07 -1.96 -1.99 115.31 121.32 3i7d h LEU 6 Ca -0.14 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.80 3i7d h LEU 6 Cb 1.05 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.79 3i7d h LEU 6 CO 0.71 0.26 -0.09 0.44 -1.08 0.00 0.00 178.44 178.68 3i7d h ASP 7 N 0.00 0.00 0.93 -0.43 3.32 -2.04 -3.15 116.42 115.05 3i7d h ASP 7 Ca -0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 3i7d h ASP 7 Cb 0.60 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 3i7d h ASP 7 CO 0.03 0.09 -1.15 -1.28 -1.72 0.00 0.00 179.24 175.22 3i7d h SER 8 N 0.00 0.00 -3.58 6.45 0.87 -1.80 -3.47 113.55 112.02 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 0.77 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.75 3i7d h SER 8 CO 0.01 0.48 0.56 -0.63 -0.53 0.00 0.00 176.83 176.73 3i7d s ILE 9 N -2.99 3.40 0.16 2.23 1.01 -1.07 -4.95 121.20 119.00 3i7d s ILE 9 Ca -0.01 1.24 -0.31 0.00 0.00 0.00 0.00 60.65 61.57 3i7d s ILE 9 Cb 0.08 -3.79 -0.11 0.00 0.01 0.00 0.00 42.46 38.65 3i7d s ILE 9 CO 0.79 0.23 1.80 -0.70 0.00 0.00 0.00 174.94 177.06 3i7d s GLU 10 N -0.63 4.13 -0.23 2.79 2.12 -1.26 -4.97 118.70 120.65 3i7d s GLU 10 Ca 0.51 2.62 -0.22 0.00 0.36 0.00 0.00 54.97 58.24 3i7d s GLU 10 Cb -0.34 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 30.68 3i7d s GLU 10 CO 0.40 -0.81 0.71 0.50 -0.54 0.00 0.00 175.26 175.52 3i7d s ARG 11 N 2.05 4.17 -0.06 4.30 3.52 -1.26 -4.46 118.95 127.21 3i7d s ARG 11 Ca 0.79 0.74 -0.05 0.00 -0.13 0.00 0.00 55.73 57.08 3i7d s ARG 11 Cb -0.48 -3.63 -0.04 0.00 -1.56 0.00 0.00 34.95 29.24 3i7d s ARG 11 CO 0.35 -0.40 0.16 1.03 -0.81 0.00 0.00 175.30 175.62 3i7d s ARG 12 N 2.45 3.42 0.33 5.12 0.52 -0.07 -4.91 118.95 125.82 3i7d s ARG 12 Ca 0.31 -0.24 0.04 0.00 -0.52 0.00 0.00 55.73 55.32 3i7d s ARG 12 Cb -0.16 -3.13 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 3i7d s ARG 12 CO 0.09 0.73 0.15 0.96 0.02 0.00 0.00 175.30 177.24 3i7d s ILE 13 N -1.17 0.46 0.00 1.52 -4.36 -1.26 -1.49 121.20 114.90 3i7d s ILE 13 Ca 0.21 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.60 3i7d s ILE 13 Cb -0.12 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 41.09 3i7d s ILE 13 CO 0.11 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.90 3i7d n GLY 14 N -0.68 -1.67 3.58 6.27 0.00 -1.26 -5.03 105.19 106.40 3i7d n GLY 14 Ca -0.01 -1.40 -0.07 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.33 0.00 1.61 1.04 -1.26 -4.94 113.70 105.81 3i7d s SER 15 Ca 0.00 -0.14 0.16 0.00 0.48 0.00 0.00 55.95 56.45 3i7d s SER 15 Cb 0.00 0.46 0.46 0.00 0.10 0.00 0.00 66.02 67.04 3i7d s SER 15 CO 0.00 -0.78 1.38 1.33 0.98 0.00 0.00 173.24 176.15 3i7d n VAL 16 N -0.34 0.66 -2.27 5.02 0.24 -1.26 -4.95 118.33 115.43 3i7d n VAL 16 Ca -0.09 -0.67 -0.37 0.00 -2.04 0.00 0.00 64.34 61.17 3i7d n VAL 16 Cb 0.62 0.36 -0.01 0.00 -1.47 0.00 0.00 33.84 33.33 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 -1.34 2.93 0.28 6.34 2.02 -1.26 -4.99 117.35 121.33 3i7d s TYR 17 Ca 0.34 1.54 -0.16 0.00 -0.37 0.00 0.00 57.07 58.42 3i7d s TYR 17 Cb 0.18 -3.38 -0.09 0.00 -0.40 0.00 0.00 41.96 38.27 3i7d s TYR 17 CO 0.24 -1.45 0.72 -1.25 -1.57 0.00 0.00 175.55 172.24 3i7d s PRO 18 N -2.58 4.08 6.39 -1.71 0.04 -1.26 -3.43 135.00 136.52 3i7d s PRO 18 Ca 0.62 0.72 0.00 0.00 0.04 0.00 0.00 61.00 62.38 3i7d s PRO 18 Cb -0.29 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.64 3i7d s PRO 18 CO 0.36 0.25 0.00 0.41 0.04 0.00 0.00 177.00 178.06 3i7d n GLY 19 N 0.06 3.16 0.18 0.56 0.00 -1.26 -1.73 105.19 106.16 3i7d n GLY 19 Ca 0.01 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.54 -2.82 114.38 111.74 3i7d h ARG 20 Ca 0.00 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.96 3i7d h ARG 20 Cb 0.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 3i7d h ARG 20 CO 0.00 0.00 -0.58 -0.07 0.10 0.00 0.00 179.97 179.42 3i7d h LEU 21 N 0.00 0.00 -0.94 0.08 3.38 -1.61 -3.24 115.31 112.99 3i7d h LEU 21 Ca 0.00 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.25 3i7d h LEU 21 Cb 0.06 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.66 3i7d h LEU 21 CO 0.00 0.58 0.35 -1.13 0.09 0.00 0.00 178.44 178.33 3i7d h ASN 22 N 0.00 0.16 0.93 -0.43 -0.73 -1.52 0.54 115.58 114.53 3i7d h ASN 22 Ca -0.01 0.21 0.00 0.00 1.87 0.00 0.00 56.30 58.37 3i7d h ASN 22 Cb 1.25 0.24 0.00 0.00 0.27 0.00 0.00 38.32 40.08 3i7d h ASN 22 CO 0.08 -0.19 0.00 0.00 -0.37 0.00 0.00 177.43 176.95 3i7d n ALA 23 N -2.57 1.96 -0.05 1.57 0.00 -1.22 -4.50 120.51 115.71 3i7d n ALA 23 Ca 0.26 -0.01 -0.00 0.00 0.00 0.00 0.00 53.44 53.69 3i7d n ALA 23 Cb 0.84 -1.39 -0.00 0.00 0.00 0.00 0.00 19.45 18.90 3i7d n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i7d n ALA 24 N -1.66 1.72 -0.28 0.00 0.00 0.19 -4.92 120.51 115.57 3i7d n ALA 24 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3i7d n ALA 24 Cb 0.29 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 1.97 -3.11 0.00 0.00 8.00 -1.26 -4.62 116.55 117.53 3i7d n ASP 26 Ca 0.00 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.70 3i7d n ASP 26 Cb 0.05 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 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 -0.36 0.50 3.67 0.44 0.00 -1.26 -4.61 105.19 103.57 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 -0.84 4.09 0.18 1.61 3.52 -1.26 -0.24 118.95 126.01 3i7d s ARG 28 Ca 0.00 -0.21 0.02 0.00 -0.13 0.00 0.00 55.73 55.40 3i7d s ARG 28 Cb 0.00 -3.53 -0.05 0.00 -1.56 0.00 0.00 34.95 29.82 3i7d s ARG 28 CO 0.00 0.07 0.00 -1.54 -0.81 0.00 0.00 175.30 173.03 3i7d s SER 29 N 0.99 1.23 0.08 -2.12 1.04 -0.65 -4.27 113.70 110.01 3i7d s SER 29 Ca 0.09 -1.18 -0.17 0.00 0.48 0.00 0.00 55.95 55.17 3i7d s SER 29 Cb -0.13 0.12 0.04 0.00 0.10 0.00 0.00 66.02 66.14 3i7d s SER 29 CO 0.04 -0.57 0.41 -0.94 0.98 0.00 0.00 173.24 173.16 3i7d s SER 30 N -3.18 -0.26 -0.14 7.02 1.04 -0.56 0.17 113.70 117.79 3i7d s SER 30 Ca 0.24 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.53 3i7d s SER 30 Cb 0.06 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 3i7d s SER 30 CO 0.04 -0.76 -0.15 -0.76 0.98 0.00 0.00 173.24 172.59 3i7d s LEU 31 N -2.40 2.53 -1.09 2.42 1.43 0.35 -0.89 118.68 121.04 3i7d s LEU 31 Ca -0.01 -0.43 -0.19 0.00 -1.03 0.00 0.00 54.13 52.48 3i7d s LEU 31 Cb 0.01 -1.57 0.11 0.00 0.03 0.00 0.00 46.19 44.77 3i7d s LEU 31 CO -0.07 0.12 1.40 -0.13 0.23 0.00 0.00 176.35 177.90 3i7d s ARG 32 N 0.60 3.78 0.15 1.70 0.52 -1.26 -1.65 118.95 122.79 3i7d s ARG 32 Ca -0.09 -1.82 -0.10 0.00 -0.52 0.00 0.00 55.73 53.20 3i7d s ARG 32 Cb -0.16 -5.19 -0.02 0.00 0.52 0.00 0.00 34.95 30.10 3i7d s ARG 32 CO 0.03 -1.98 1.47 -0.07 0.02 0.00 0.00 175.30 174.77 3i7d h LEU 33 N 11.30 0.95 -0.39 2.53 3.38 -1.26 -2.25 115.31 129.56 3i7d h LEU 33 Ca 0.26 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3i7d h LEU 33 Cb 0.96 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3i7d h LEU 33 CO 1.29 1.24 0.13 1.23 0.09 0.00 0.00 178.44 182.42 3i7d h GLY 34 N 0.79 0.65 0.93 0.83 0.00 -1.76 -1.65 103.07 102.86 3i7d h GLY 34 Ca 0.05 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 3i7d h GLY 34 CO 0.10 0.36 0.14 -0.55 0.00 0.00 0.00 176.54 176.59 3i7d h ASP 35 N 0.49 0.51 -0.87 0.19 3.32 -1.76 0.56 116.42 118.86 3i7d h ASP 35 Ca 0.13 -0.18 0.21 0.00 0.02 0.00 0.00 57.03 57.21 3i7d h ASP 35 Cb 0.25 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 3i7d h ASP 35 CO -0.01 0.55 0.59 0.00 -1.72 0.00 0.00 179.24 178.65 3i7d h ALA 36 N 0.98 2.40 -0.05 3.45 0.00 -1.13 -1.84 119.26 123.07 3i7d h ALA 36 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3i7d h ALA 36 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3i7d h ALA 36 CO -0.01 -0.66 0.00 0.41 0.00 0.00 0.00 179.25 178.99 3i7d n GLY 37 N -1.58 0.87 1.80 0.00 0.00 -0.64 -4.96 105.19 100.67 3i7d n GLY 37 Ca 0.18 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 1.33 0.49 3.88 -0.02 0.00 -0.69 -5.03 105.19 105.14 3i7d n GLY 38 Ca 0.15 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 4.28 0.00 0.99 1.43 0.14 -5.00 118.68 120.53 3i7d s LEU 39 Ca 0.00 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 53.86 3i7d s LEU 39 Cb 0.00 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 42.97 3i7d s LEU 39 CO 0.00 0.08 0.00 -1.54 0.23 0.00 0.00 176.35 175.12 3i7d n SER 40 N 0.41 2.95 0.04 2.29 3.41 -1.26 -4.41 113.62 117.05 3i7d n SER 40 Ca -0.04 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.61 3i7d n SER 40 Cb 0.52 0.54 -0.07 0.00 -0.26 0.00 0.00 64.21 64.94 3i7d n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7d n GLN 41 N -0.96 0.62 -3.82 4.33 6.02 -1.26 -4.70 117.38 117.61 3i7d n GLN 41 Ca 0.00 0.13 -0.10 0.00 -0.01 0.00 0.00 57.00 57.02 3i7d n GLN 41 Cb 0.05 -1.77 -0.08 0.00 1.02 0.00 0.00 30.24 29.46 3i7d n GLN 41 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 3i7d s PHE 42 N -3.11 0.04 0.11 1.08 -0.12 -1.26 -1.53 117.98 113.19 3i7d s PHE 42 Ca -0.03 -0.30 -0.08 0.00 -0.05 0.00 0.00 56.93 56.47 3i7d s PHE 42 Cb 0.09 -0.00 -0.06 0.00 -0.63 0.00 0.00 43.02 42.42 3i7d s PHE 42 CO 0.82 -0.48 0.40 0.20 -0.05 0.00 0.00 175.22 176.11 3i7d s GLY 43 N -2.29 2.30 -0.12 1.99 0.00 0.14 -4.82 107.32 104.51 3i7d s GLY 43 Ca -0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 44.72 44.26 3i7d s GLY 43 CO -0.06 -0.27 -0.06 0.14 0.00 0.00 0.00 173.10 172.85 3i7d s VAL 44 N -1.52 1.00 -0.04 1.40 1.01 -1.26 -1.35 120.40 119.64 3i7d s VAL 44 Ca 0.37 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 62.06 3i7d s VAL 44 Cb -0.13 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 3i7d s VAL 44 CO 0.20 0.30 -0.21 0.20 0.00 0.00 0.00 175.10 175.60 3i7d s ASN 45 N 1.71 2.50 -0.36 3.32 0.01 -0.30 -0.66 114.94 121.16 3i7d s ASN 45 Ca 0.04 -0.40 -0.14 0.00 -0.71 0.00 0.00 52.86 51.65 3i7d s ASN 45 Cb -0.13 -0.53 -0.01 0.00 0.41 0.00 0.00 41.25 40.99 3i7d s ASN 45 CO -0.08 0.22 0.26 -0.22 -1.51 0.00 0.00 177.10 175.77 3i7d s LEU 46 N -0.21 4.67 -0.12 0.60 2.96 -0.66 -0.42 118.68 125.49 3i7d s LEU 46 Ca 0.01 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.38 3i7d s LEU 46 Cb -0.11 -2.16 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 3i7d s LEU 46 CO 0.01 -0.30 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.97 3i7d s VAL 47 N 1.73 3.47 -0.15 1.68 1.01 0.50 -0.49 120.40 128.16 3i7d s VAL 47 Ca 0.06 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 3i7d s VAL 47 Cb -0.18 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 3i7d s VAL 47 CO 0.11 0.53 -0.12 -0.60 0.00 0.00 0.00 175.10 175.01 3i7d s ARG 48 N 0.03 3.35 -0.24 2.72 3.52 0.13 -0.38 118.95 128.08 3i7d s ARG 48 Ca -0.02 -0.69 -0.02 0.00 -0.13 0.00 0.00 55.73 54.87 3i7d s ARG 48 Cb -0.14 -2.68 0.02 0.00 -1.56 0.00 0.00 34.95 30.59 3i7d s ARG 48 CO 0.03 0.13 -0.06 -0.51 -0.81 0.00 0.00 175.30 174.08 3i7d s LEU 49 N 0.57 3.11 1.04 -0.88 1.43 0.11 -1.63 118.68 122.43 3i7d s LEU 49 Ca -0.08 -0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 52.12 3i7d s LEU 49 Cb -0.16 -1.67 0.21 0.00 0.03 0.00 0.00 46.19 44.61 3i7d s LEU 49 CO 0.03 -0.11 1.07 -1.61 0.23 0.00 0.00 176.35 175.97 3i7d s GLU 50 N 1.35 0.08 0.22 1.70 0.41 0.66 -1.40 118.70 121.72 3i7d s GLU 50 Ca 0.01 0.91 -0.32 0.00 -0.41 0.00 0.00 54.97 55.17 3i7d s GLU 50 Cb -0.16 -1.66 -0.13 0.00 -1.78 0.00 0.00 34.13 30.39 3i7d s GLU 50 CO -0.05 -3.07 1.50 -2.30 -0.49 0.00 0.00 175.26 170.86 3i7d n PRO 51 N -4.47 2.20 0.00 0.39 -0.02 -1.26 -1.31 135.00 130.53 3i7d n PRO 51 Ca 0.06 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3i7d n PRO 51 Cb 0.54 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 2.66 2.97 3.73 -1.23 0.00 0.17 -5.03 105.19 108.46 3i7d n GLY 52 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.68 1.75 0.12 4.61 0.00 -0.43 -4.60 121.76 121.53 3i7d s ALA 53 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.07 3i7d s ALA 53 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 3i7d s ALA 53 CO 0.00 -2.20 -0.11 -1.59 0.00 0.00 0.00 175.76 171.86 3i7d s LYS 54 N -4.91 0.95 0.32 0.00 -2.85 -1.26 -1.00 119.74 111.00 3i7d s LYS 54 Ca 0.63 -1.27 0.15 0.00 -1.00 0.00 0.00 55.97 54.48 3i7d s LYS 54 Cb -0.18 -0.63 0.51 0.00 -2.06 0.00 0.00 37.83 35.46 3i7d s LYS 54 CO 0.57 0.10 1.66 0.66 0.10 0.00 0.00 175.35 178.44 3i7d h SER 55 N 3.29 0.00 0.00 0.03 4.64 -1.36 -3.43 113.55 116.71 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 0.56 0.49 0.00 -1.54 -0.87 0.00 0.00 176.83 175.47 3i7d n SER 56 N -3.61 0.00 -4.77 4.97 3.41 -1.26 -4.97 113.62 107.39 3i7d n SER 56 Ca -0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 3i7d n SER 56 Cb 0.57 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 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 4.35 0.12 1.04 1.43 -1.26 -4.72 118.68 119.63 3i7d s LEU 57 Ca 0.00 2.30 -0.33 0.00 -1.03 0.00 0.00 54.13 55.07 3i7d s LEU 57 Cb 0.00 -3.86 -0.13 0.00 0.03 0.00 0.00 46.19 42.23 3i7d s LEU 57 CO 0.00 -0.43 1.69 -1.14 0.23 0.00 0.00 176.35 176.71 3i7d n ARG 58 N 0.55 2.35 -3.73 1.70 0.63 -1.26 -4.82 116.66 112.07 3i7d n ARG 58 Ca 0.02 0.85 -0.08 0.00 -0.92 0.00 0.00 57.85 57.72 3i7d n ARG 58 Cb 0.46 -2.67 -0.02 0.00 0.45 0.00 0.00 32.46 30.68 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 1.79 -0.27 0.02 -0.14 -3.43 -0.96 -1.08 115.29 111.22 3i7d s HIS 59 Ca 0.81 -0.11 0.00 0.00 -0.80 0.00 0.00 55.06 54.97 3i7d s HIS 59 Cb -0.62 0.66 -0.02 0.00 -1.43 0.00 0.00 32.58 31.17 3i7d s HIS 59 CO 0.39 -1.07 -0.04 1.52 -2.00 0.00 0.00 174.74 173.54 3i7d s TYR 60 N -3.77 0.32 0.00 0.38 1.13 -0.67 -0.51 117.35 114.23 3i7d s TYR 60 Ca 0.09 -0.55 0.00 0.00 -1.41 0.00 0.00 57.07 55.20 3i7d s TYR 60 Cb -0.04 -0.22 0.00 0.00 -1.10 0.00 0.00 41.96 40.60 3i7d s TYR 60 CO 0.01 -0.19 0.00 0.72 -2.51 0.00 0.00 175.55 173.59 3i7d n HIS 61 N 1.52 -1.43 0.00 -3.49 8.25 -1.26 -1.72 115.22 117.09 3i7d n HIS 61 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 3i7d n HIS 61 Cb 0.55 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.66 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 -0.44 0.00 -4.29 -0.41 1.02 -1.26 -0.44 120.64 114.83 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 -0.12 0.00 -0.02 0.00 0.00 31.44 31.30 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 -1.69 3.73 0.76 3.49 -0.21 -1.26 -4.83 119.66 119.64 3i7d s GLN 64 Ca 0.00 -0.48 -0.14 0.00 0.02 0.00 0.00 55.36 54.76 3i7d s GLN 64 Cb 0.00 -2.99 0.06 0.00 1.00 0.00 0.00 33.01 31.08 3i7d s GLN 64 CO 0.00 0.23 1.18 -0.51 -2.12 0.00 0.00 175.29 174.07 3i7d s ASP 65 N 0.43 4.06 -0.11 5.90 1.01 -1.26 -3.81 116.67 122.89 3i7d s ASP 65 Ca -0.02 2.26 -0.10 0.00 0.71 0.00 0.00 52.55 55.40 3i7d s ASP 65 Cb -0.14 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.24 3i7d s ASP 65 CO 0.02 -2.35 0.29 -0.70 0.21 0.00 0.00 175.17 172.64 3i7d s GLU 66 N -4.13 0.33 0.00 8.23 2.12 -0.79 -2.39 118.70 122.08 3i7d s GLU 66 Ca 0.71 0.39 0.02 0.00 0.36 0.00 0.00 54.97 56.45 3i7d s GLU 66 Cb -0.26 0.16 -0.01 0.00 0.26 0.00 0.00 34.13 34.28 3i7d s GLU 66 CO 0.48 -0.04 -0.06 0.12 -0.54 0.00 0.00 175.26 175.22 3i7d s PHE 67 N 0.14 0.51 0.17 5.30 2.19 0.02 -0.84 117.98 125.47 3i7d s PHE 67 Ca -0.00 -0.16 0.02 0.00 0.33 0.00 0.00 56.93 57.13 3i7d s PHE 67 Cb -0.02 -0.33 -0.01 0.00 -1.31 0.00 0.00 43.02 41.35 3i7d s PHE 67 CO 0.00 -0.02 0.09 0.28 1.83 0.00 0.00 175.22 177.40 3i7d n VAL 68 N 2.71 0.00 -4.72 3.12 0.31 -0.36 -0.02 118.33 119.37 3i7d n VAL 68 Ca -0.14 -1.08 -0.26 0.00 -0.01 0.00 0.00 64.34 62.85 3i7d n VAL 68 Cb 0.58 0.45 -0.17 0.00 -0.91 0.00 0.00 33.84 33.79 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 -2.38 1.32 -0.15 2.52 1.01 -0.21 -0.78 120.40 121.73 3i7d s VAL 70 Ca 0.13 -0.60 0.12 0.00 0.00 0.00 0.00 61.98 61.63 3i7d s VAL 70 Cb 0.01 -1.18 -0.18 0.00 0.00 0.00 0.00 36.38 35.03 3i7d s VAL 70 CO 0.09 0.40 0.02 0.35 0.00 0.00 0.00 175.10 175.96 3i7d n THR 71 N 3.67 1.04 -3.82 3.92 -2.24 -0.35 -0.12 114.28 116.39 3i7d n THR 71 Ca -0.22 -0.61 -0.12 0.00 -2.27 0.00 0.00 64.05 60.83 3i7d n THR 71 Cb 0.52 -0.67 -0.10 0.00 -2.10 0.00 0.00 70.33 67.98 3i7d n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3i7d s GLU 72 N -2.37 0.48 1.77 -0.78 2.12 -0.98 -4.78 118.70 114.16 3i7d s GLU 72 Ca -0.10 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.09 3i7d s GLU 72 Cb 0.05 0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.65 3i7d s GLU 72 CO 0.59 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.61 3i7d n GLY 73 N 1.81 -1.34 3.03 -1.50 0.00 -1.26 -1.28 105.19 104.65 3i7d n GLY 73 Ca -0.20 -1.25 -0.21 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.25 0.94 0.28 4.61 0.00 -1.26 -3.58 121.76 121.50 3i7d s ALA 74 Ca 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 51.96 51.61 3i7d s ALA 74 Cb 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 23.12 22.74 3i7d s ALA 74 CO 0.00 0.17 0.01 -0.51 0.00 0.00 0.00 175.76 175.43 3i7d s LEU 75 N 0.09 2.23 -0.14 0.00 1.43 -1.26 -4.60 118.68 116.43 3i7d s LEU 75 Ca -0.02 -1.28 0.00 0.00 -1.03 0.00 0.00 54.13 51.81 3i7d s LEU 75 Cb -0.08 -0.38 -0.01 0.00 0.03 0.00 0.00 46.19 45.75 3i7d s LEU 75 CO 0.00 -0.52 -0.14 -0.69 0.23 0.00 0.00 176.35 175.23 3i7d s VAL 76 N -3.30 2.83 -0.31 -1.59 1.01 -0.33 -4.47 120.40 114.25 3i7d s VAL 76 Ca 0.32 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 61.39 3i7d s VAL 76 Cb 0.06 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 3i7d s VAL 76 CO 0.12 0.52 0.53 -0.22 0.00 0.00 0.00 175.10 176.05 3i7d s LEU 77 N 0.61 4.18 -0.27 3.92 2.96 0.12 -0.89 118.68 129.31 3i7d s LEU 77 Ca -0.08 0.27 -0.10 0.00 -0.22 0.00 0.00 54.13 54.00 3i7d s LEU 77 Cb -0.16 -2.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.84 3i7d s LEU 77 CO 0.03 -0.40 0.15 -0.69 -1.32 0.00 0.00 176.35 174.12 3i7d s VAL 78 N 2.39 4.98 0.00 1.68 1.01 -0.30 -0.28 120.40 129.88 3i7d s VAL 78 Ca 0.21 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3i7d s VAL 78 Cb -0.15 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.86 3i7d s VAL 78 CO 0.11 0.27 0.00 -0.90 0.00 0.00 0.00 175.10 174.58 3i7d n ASP 79 N 5.02 0.03 -0.30 3.32 5.68 0.13 -2.04 116.55 128.39 3i7d n ASP 79 Ca -0.15 -0.84 0.16 0.00 -0.50 0.00 0.00 54.79 53.47 3i7d n ASP 79 Cb 0.52 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 40.92 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 0.59 0.14 -1.12 3.32 -1.89 0.17 116.42 117.64 3i7d h ASP 80 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3i7d h ASP 80 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3i7d h ASP 80 CO 0.00 0.22 0.00 0.00 -1.72 0.00 0.00 179.24 177.74 3i7d n GLN 81 N -4.62 0.82 0.00 3.56 3.00 -1.26 -5.03 117.38 113.85 3i7d n GLN 81 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 3i7d n GLN 81 Cb 0.64 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.38 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 1.00 0.57 3.68 1.08 0.00 0.61 -5.01 105.19 107.11 3i7d n GLY 82 Ca 0.21 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 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 3.88 -0.17 1.61 2.02 -1.26 -0.70 118.70 124.08 3i7d s GLU 83 Ca 0.00 -0.31 -0.00 0.00 0.02 0.00 0.00 54.97 54.68 3i7d s GLU 83 Cb 0.00 -3.21 0.04 0.00 0.10 0.00 0.00 34.13 31.06 3i7d s GLU 83 CO 0.00 0.36 -0.05 -1.01 0.02 0.00 0.00 175.26 174.58 3i7d s HIS 84 N 0.13 1.79 0.47 1.61 3.76 0.61 -4.94 115.29 118.72 3i7d s HIS 84 Ca 0.06 -1.17 -0.08 0.00 -0.15 0.00 0.00 55.06 53.72 3i7d s HIS 84 Cb -0.12 -1.35 0.12 0.00 1.11 0.00 0.00 32.58 32.33 3i7d s HIS 84 CO 0.00 -0.64 0.41 -0.35 -0.85 0.00 0.00 174.74 173.31 3i7d n PRO 85 N 4.85 -1.90 -3.67 8.40 -0.04 -1.26 0.16 135.00 141.54 3i7d n PRO 85 Ca -0.12 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.69 3i7d n PRO 85 Cb 0.47 -0.62 -0.01 0.00 -0.04 0.00 0.00 33.50 33.30 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 -1.73 0.00 0.21 0.52 -7.23 -1.26 -4.86 120.40 106.05 3i7d s VAL 87 Ca 0.27 -0.34 -0.32 0.00 -1.81 0.00 0.00 61.98 59.78 3i7d s VAL 87 Cb -0.03 -2.04 -0.13 0.00 0.56 0.00 0.00 36.38 34.74 3i7d s VAL 87 CO 0.21 0.00 1.60 -2.65 -0.31 0.00 0.00 175.10 173.95 3i7d n PRO 88 N -0.50 2.43 0.00 4.82 -0.02 -1.23 -1.08 135.00 139.41 3i7d n PRO 88 Ca -0.08 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3i7d n PRO 88 Cb 0.62 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 3.19 2.98 3.77 -1.23 0.00 0.83 -4.99 105.19 109.74 3i7d n GLY 89 Ca 0.14 0.00 -0.40 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 -1.23 6.69 0.10 1.61 1.01 -0.25 -4.81 116.67 119.79 3i7d s ASP 90 Ca 0.00 2.57 0.06 0.00 0.71 0.00 0.00 52.55 55.89 3i7d s ASP 90 Cb 0.00 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 3i7d s ASP 90 CO 0.00 -0.58 -0.15 0.00 0.21 0.00 0.00 175.17 174.65 3i7d s ALA 92 N -1.63 0.27 -0.03 0.00 0.00 0.04 -5.01 121.76 115.39 3i7d s ALA 92 Ca 0.04 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 51.55 3i7d s ALA 92 Cb -0.08 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 3i7d s ALA 92 CO 0.03 -0.06 -0.20 0.00 0.00 0.00 0.00 175.76 175.53 3i7d s ALA 93 N -1.04 1.72 -0.39 0.00 0.00 -1.26 -1.22 121.76 119.57 3i7d s ALA 93 Ca -0.10 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.04 3i7d s ALA 93 Cb -0.07 -0.50 0.12 0.00 0.00 0.00 0.00 23.12 22.66 3i7d s ALA 93 CO -0.00 0.37 0.16 -0.06 0.00 0.00 0.00 175.76 176.22 3i7d s PHE 94 N -0.23 2.41 0.40 0.00 0.08 -0.02 -5.03 117.98 115.58 3i7d s PHE 94 Ca 0.02 -2.43 -0.27 0.00 0.12 0.00 0.00 56.93 54.37 3i7d s PHE 94 Cb -0.10 -2.16 -0.09 0.00 -0.57 0.00 0.00 43.02 40.09 3i7d s PHE 94 CO 0.01 -0.84 1.38 -2.14 -0.10 0.00 0.00 175.22 173.53 3i7d s PRO 95 N 0.77 3.99 0.14 0.24 0.02 -1.26 -1.89 135.00 137.00 3i7d s PRO 95 Ca 0.14 2.34 -0.34 0.00 0.02 0.00 0.00 61.00 63.16 3i7d s PRO 95 Cb -0.21 -2.84 -0.14 0.00 0.02 0.00 0.00 34.50 31.33 3i7d s PRO 95 CO -0.09 -0.54 1.60 0.00 -0.33 0.00 0.00 177.00 177.64 3i7d n ALA 96 N 0.24 1.26 0.00 -1.55 0.00 -1.25 -2.25 120.51 116.96 3i7d n ALA 96 Ca 0.03 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3i7d n ALA 96 Cb 0.42 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 3.48 3.26 3.61 0.00 0.00 0.42 -4.90 105.19 111.06 3i7d n GLY 97 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.57 5.94 -0.96 1.61 2.15 -0.95 -4.84 116.67 119.06 3i7d s ASP 98 Ca 0.00 1.65 -0.07 0.00 0.43 0.00 0.00 52.55 54.56 3i7d s ASP 98 Cb 0.00 -2.52 -0.12 0.00 -0.30 0.00 0.00 42.92 39.97 3i7d s ASP 98 CO 0.00 -1.61 2.83 -0.81 -0.17 0.00 0.00 175.17 175.40 3i7d n PRO 99 N 8.26 2.71 -4.00 4.34 -0.04 -1.26 -4.70 135.00 140.30 3i7d n PRO 99 Ca 0.24 -1.61 -0.31 0.00 -0.04 0.00 0.00 63.50 61.78 3i7d n PRO 99 Cb 0.45 -2.45 -0.15 0.00 -0.04 0.00 0.00 33.50 31.32 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 2.46 4.69 0.39 3.54 2.47 -1.26 -5.02 114.94 122.20 3i7d s ASN 100 Ca 0.59 -2.33 -0.26 0.00 0.42 0.00 0.00 52.86 51.27 3i7d s ASN 100 Cb 0.19 -1.64 -0.09 0.00 -1.45 0.00 0.00 41.25 38.27 3i7d s ASN 100 CO -0.04 -0.35 1.29 -0.83 -3.72 0.00 0.00 177.10 173.45 3i7d s GLY 101 N 0.68 2.93 0.02 1.21 0.00 -1.26 -4.73 107.32 106.18 3i7d s GLY 101 Ca 0.12 1.22 0.01 0.00 0.00 0.00 0.00 44.72 46.07 3i7d s GLY 101 CO -0.06 1.81 -0.05 -2.38 0.00 0.00 0.00 173.10 172.41 3i7d s HIS 102 N -1.25 0.46 0.15 1.90 -3.43 0.34 -3.72 115.29 109.73 3i7d s HIS 102 Ca 0.55 -0.40 -0.13 0.00 -0.80 0.00 0.00 55.06 54.28 3i7d s HIS 102 Cb -0.38 -0.29 0.02 0.00 -1.43 0.00 0.00 32.58 30.50 3i7d s HIS 102 CO 0.49 -0.10 0.37 1.14 -2.00 0.00 0.00 174.74 174.64 3i7d s GLN 103 N -1.17 1.14 -0.09 -0.38 -2.07 -0.86 -2.28 119.66 113.94 3i7d s GLN 103 Ca -0.09 -0.92 0.02 0.00 -1.82 0.00 0.00 55.36 52.56 3i7d s GLN 103 Cb -0.08 0.44 -0.02 0.00 -1.09 0.00 0.00 33.01 32.26 3i7d s GLN 103 CO -0.00 -0.44 -0.17 -0.06 -1.32 0.00 0.00 175.29 173.30 3i7d s PHE 104 N -3.88 2.69 -0.07 9.60 0.40 -1.26 -1.15 117.98 124.31 3i7d s PHE 104 Ca 0.09 -0.54 0.04 0.00 -0.60 0.00 0.00 56.93 55.92 3i7d s PHE 104 Cb 0.02 -1.72 0.00 0.00 0.51 0.00 0.00 43.02 41.83 3i7d s PHE 104 CO -0.06 -0.11 -0.18 0.08 0.70 0.00 0.00 175.22 175.65 3i7d s VAL 105 N -0.08 1.58 -0.64 -0.44 1.01 -0.07 -0.82 120.40 120.93 3i7d s VAL 105 Ca -0.03 -0.77 -0.21 0.00 0.00 0.00 0.00 61.98 60.97 3i7d s VAL 105 Cb -0.14 -1.37 0.08 0.00 0.00 0.00 0.00 36.38 34.95 3i7d s VAL 105 CO 0.04 0.45 0.89 0.21 0.00 0.00 0.00 175.10 176.70 3i7d s ASN 106 N 0.27 6.18 -0.03 3.32 2.47 -0.17 -1.19 114.94 125.79 3i7d s ASN 106 Ca -0.11 -1.13 0.20 0.00 0.42 0.00 0.00 52.86 52.25 3i7d s ASN 106 Cb -0.15 -2.39 0.64 0.00 -1.45 0.00 0.00 41.25 37.91 3i7d s ASN 106 CO 0.05 -1.35 1.54 0.54 -3.72 0.00 0.00 177.10 174.16 3i7d n ARG 107 N 7.31 2.92 -2.74 0.43 1.74 -1.26 0.41 116.66 125.46 3i7d n ARG 107 Ca -0.05 -2.59 -0.22 0.00 -0.77 0.00 0.00 57.85 54.22 3i7d n ARG 107 Cb 0.45 -1.64 0.09 0.00 -1.02 0.00 0.00 32.46 30.33 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 -1.29 2.16 -2.60 0.55 -4.23 -1.26 -4.94 115.64 104.03 3i7d s THR 108 Ca 0.48 -0.74 0.24 0.00 -1.18 0.00 0.00 61.69 60.49 3i7d s THR 108 Cb 0.27 -2.43 0.37 0.00 1.34 0.00 0.00 72.50 72.05 3i7d s THR 108 CO 0.30 0.00 1.42 0.47 -0.54 0.00 0.00 174.62 176.26 3i7d n ASP 109 N -2.62 2.84 -4.67 3.99 8.00 -1.26 -4.21 116.55 118.62 3i7d n ASP 109 Ca 0.15 -1.90 -0.30 0.00 0.71 0.00 0.00 54.79 53.45 3i7d n ASP 109 Cb 0.61 -0.13 -0.08 0.00 -0.02 0.00 0.00 41.12 41.50 3i7d n ASP 109 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i7d s ALA 110 N -1.74 3.23 0.69 2.24 0.00 -1.26 -4.78 121.76 120.13 3i7d s ALA 110 Ca 0.34 -1.14 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 3i7d s ALA 110 Cb 0.21 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 22.19 3i7d s ALA 110 CO 0.30 0.69 1.15 -2.30 0.00 0.00 0.00 175.76 175.60 3i7d n PRO 111 N 0.60 0.77 -4.11 0.00 -0.02 -1.26 -4.33 135.00 126.65 3i7d n PRO 111 Ca -0.11 0.32 -0.15 0.00 -2.02 0.00 0.00 63.50 61.54 3i7d n PRO 111 Cb 0.52 -2.39 -0.12 0.00 -0.02 0.00 0.00 33.50 31.50 3i7d n PRO 111 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i7d s ALA 112 N -1.63 0.79 0.04 3.55 0.00 -0.49 -4.37 121.76 119.65 3i7d s ALA 112 Ca 0.78 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.96 3i7d s ALA 112 Cb -0.36 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 3i7d s ALA 112 CO 0.45 0.06 -0.14 0.99 0.00 0.00 0.00 175.76 177.12 3i7d s THR 113 N -1.29 1.11 0.03 0.00 2.01 -0.40 0.04 115.64 117.14 3i7d s THR 113 Ca -0.07 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 60.89 3i7d s THR 113 Cb -0.10 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 3i7d s THR 113 CO 0.01 -0.03 -0.04 0.72 -0.69 0.00 0.00 174.62 174.59 3i7d s PHE 114 N -0.92 0.40 -0.17 4.92 -0.71 0.49 -1.21 117.98 120.78 3i7d s PHE 114 Ca 0.01 -0.67 -0.15 0.00 -1.04 0.00 0.00 56.93 55.08 3i7d s PHE 114 Cb -0.08 -0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 41.41 3i7d s PHE 114 CO 0.01 -0.22 0.35 -1.17 -1.34 0.00 0.00 175.22 172.85 3i7d s LEU 115 N -1.89 4.22 -0.11 -1.99 2.96 -1.26 -0.37 118.68 120.23 3i7d s LEU 115 Ca -0.09 0.54 0.04 0.00 -0.22 0.00 0.00 54.13 54.40 3i7d s LEU 115 Cb -0.05 -2.46 0.00 0.00 0.50 0.00 0.00 46.19 44.18 3i7d s LEU 115 CO -0.03 0.03 -0.23 0.54 -1.32 0.00 0.00 176.35 175.34 3i7d s VAL 116 N 0.77 2.12 -0.09 1.68 0.11 0.44 -4.21 120.40 121.23 3i7d s VAL 116 Ca 0.18 -0.99 0.02 0.00 -2.93 0.00 0.00 61.98 58.26 3i7d s VAL 116 Cb -0.14 -1.82 -0.02 0.00 -1.53 0.00 0.00 36.38 32.88 3i7d s VAL 116 CO 0.06 0.56 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.55 3i7d s VAL 117 N 0.39 2.96 -0.03 2.04 1.01 0.97 -1.16 120.40 126.58 3i7d s VAL 117 Ca -0.17 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 3i7d s VAL 117 Cb -0.18 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 34.03 3i7d s VAL 117 CO 0.08 0.56 0.06 -0.83 0.00 0.00 0.00 175.10 174.97 3i7d s GLY 118 N -0.19 -0.01 0.39 4.51 0.00 -0.46 -0.80 107.32 110.76 3i7d s GLY 118 Ca -0.00 0.25 -0.27 0.00 0.00 0.00 0.00 44.72 44.70 3i7d s GLY 118 CO 0.03 0.37 1.42 -1.59 0.00 0.00 0.00 173.10 173.33 3i7d s THR 119 N 0.42 2.25 -0.18 0.90 2.01 -1.00 0.24 115.64 120.28 3i7d s THR 119 Ca -0.03 0.24 -0.18 0.00 0.31 0.00 0.00 61.69 62.03 3i7d s THR 119 Cb -0.05 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 3i7d s THR 119 CO -0.01 0.05 0.48 -0.13 -0.69 0.00 0.00 174.62 174.32 3i7d s ARG 120 N -2.13 4.22 0.10 4.92 1.81 -0.58 -4.73 118.95 122.56 3i7d s ARG 120 Ca 0.54 0.37 0.05 0.00 -1.72 0.00 0.00 55.73 54.97 3i7d s ARG 120 Cb -0.44 -3.53 -0.04 0.00 -0.45 0.00 0.00 34.95 30.50 3i7d s ARG 120 CO 0.58 -0.05 -0.12 0.95 -0.68 0.00 0.00 175.30 175.98 3i7d s THR 121 N 1.33 1.11 0.30 0.02 -4.23 -1.26 -4.82 115.64 108.08 3i7d s THR 121 Ca 0.23 -1.61 -0.02 0.00 -1.18 0.00 0.00 61.69 59.12 3i7d s THR 121 Cb -0.15 -1.37 0.23 0.00 1.34 0.00 0.00 72.50 72.55 3i7d s THR 121 CO 0.09 -0.45 1.93 1.55 -0.54 0.00 0.00 174.62 177.20 3i7d h PRO 122 N 3.67 1.00 -5.48 3.99 0.13 -1.98 -3.44 132.00 129.90 3i7d h PRO 122 Ca -0.39 -0.10 -0.43 0.00 -0.87 0.00 0.00 66.00 64.22 3i7d h PRO 122 Cb 1.19 -0.21 -0.17 0.00 0.13 0.00 0.00 31.00 31.94 3i7d h PRO 122 CO 0.50 0.72 -0.75 0.95 -0.23 0.00 0.00 178.00 179.18 3i7d s THR 123 N -5.72 1.44 -0.02 1.56 -4.23 -1.26 -3.77 115.64 103.64 3i7d s THR 123 Ca -0.11 -1.84 -0.19 0.00 -1.18 0.00 0.00 61.69 58.37 3i7d s THR 123 Cb 0.17 -1.67 0.04 0.00 1.34 0.00 0.00 72.50 72.38 3i7d s THR 123 CO 0.79 -0.46 0.41 -0.70 -0.54 0.00 0.00 174.62 174.13 3i7d s GLU 124 N -2.91 0.77 -0.06 3.99 2.56 -0.86 -4.88 118.70 117.32 3i7d s GLU 124 Ca 0.12 -0.07 0.03 0.00 0.00 0.00 0.00 54.97 55.05 3i7d s GLU 124 Cb -0.04 0.35 0.01 0.00 2.00 0.00 0.00 34.13 36.45 3i7d s GLU 124 CO 0.04 -0.22 -0.14 0.99 -0.56 0.00 0.00 175.26 175.37 3i7d s THR 125 N -1.28 1.21 -0.09 -1.70 2.01 -1.26 -0.42 115.64 114.10 3i7d s THR 125 Ca -0.13 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.37 3i7d s THR 125 Cb -0.04 -1.08 -0.00 0.00 0.01 0.00 0.00 72.50 71.39 3i7d s THR 125 CO 0.06 0.36 -0.23 0.00 -0.69 0.00 0.00 174.62 174.12 3i7d s ALA 126 N 0.44 2.11 -0.12 7.40 0.00 -0.46 -4.44 121.76 126.68 3i7d s ALA 126 Ca -0.11 -0.94 -0.08 0.00 0.00 0.00 0.00 51.96 50.83 3i7d s ALA 126 Cb -0.14 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 3i7d s ALA 126 CO 0.03 0.30 0.16 0.71 0.00 0.00 0.00 175.76 176.95 3i7d s TYR 127 N 0.29 3.60 -0.17 0.00 2.02 -0.70 -1.15 117.35 121.24 3i7d s TYR 127 Ca -0.17 0.55 -0.14 0.00 -0.37 0.00 0.00 57.07 56.95 3i7d s TYR 127 Cb -0.17 -1.97 -0.05 0.00 -0.40 0.00 0.00 41.96 39.37 3i7d s TYR 127 CO 0.08 0.72 0.30 0.71 -1.57 0.00 0.00 175.55 175.79 3i7d s TYR 128 N -0.98 3.43 0.14 2.71 2.02 -1.26 -1.68 117.35 121.73 3i7d s TYR 128 Ca 0.15 0.57 0.06 0.00 -0.37 0.00 0.00 57.07 57.48 3i7d s TYR 128 Cb -0.12 -2.37 -0.14 0.00 -0.40 0.00 0.00 41.96 38.92 3i7d s TYR 128 CO 0.04 0.18 1.31 0.77 -1.57 0.00 0.00 175.55 176.28 3i7d h SER 129 N 6.87 0.07 -0.58 2.29 0.02 -1.46 -3.44 113.55 117.33 3i7d h SER 129 Ca -0.40 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 60.43 3i7d h SER 129 Cb 1.16 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.65 3i7d h SER 129 CO 0.74 1.00 0.06 0.47 -1.14 0.00 0.00 176.83 177.97 3i7d n ASP 130 N -3.45 5.31 -4.36 3.07 8.00 -1.26 -5.09 116.55 118.77 3i7d n ASP 130 Ca -0.01 -3.03 -0.45 0.00 0.71 0.00 0.00 54.79 52.01 3i7d n ASP 130 Cb 0.90 -0.69 -0.06 0.00 -0.02 0.00 0.00 41.12 41.26 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 -1.00 6.18 -0.09 -2.24 2.15 -1.26 -5.14 116.67 115.27 3i7d s ASP 132 Ca 0.53 -1.50 -0.07 0.00 0.43 0.00 0.00 52.55 51.94 3i7d s ASP 132 Cb 0.42 -2.22 0.02 0.00 -0.30 0.00 0.00 42.92 40.84 3i7d s ASP 132 CO 0.14 -0.82 0.22 0.54 -0.17 0.00 0.00 175.17 175.09 3i7d s VAL 135 N 1.86 -0.00 -0.07 1.11 0.11 -0.30 -4.21 120.40 118.90 3i7d s VAL 135 Ca 0.06 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.16 3i7d s VAL 135 Cb -0.26 -0.32 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 3i7d s VAL 135 CO 0.06 0.01 -0.19 -0.54 -3.33 0.00 0.00 175.10 171.10 3i7d s LYS 136 N 0.23 2.67 0.13 1.54 1.02 -0.94 -1.36 119.74 123.04 3i7d s LYS 136 Ca -0.01 -0.80 0.08 0.00 0.02 0.00 0.00 55.97 55.26 3i7d s LYS 136 Cb -0.02 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.93 3i7d s LYS 136 CO -0.01 0.44 -0.18 -1.14 -0.92 0.00 0.00 175.35 173.54 3i7d s GLN 137 N -0.27 1.15 0.00 1.68 0.74 0.44 -1.74 119.66 121.67 3i7d s GLN 137 Ca 0.01 -1.28 0.00 0.00 0.05 0.00 0.00 55.36 54.14 3i7d s GLN 137 Cb -0.13 -1.22 0.00 0.00 1.10 0.00 0.00 33.01 32.77 3i7d s GLN 137 CO 0.03 0.26 0.00 -0.40 -0.55 0.00 0.00 175.29 174.62 3i7d n ASP 138 N 0.61 0.00 -0.10 6.67 5.68 0.28 -2.02 116.55 127.67 3i7d n ASP 138 Ca -0.16 -0.33 -0.09 0.00 -0.50 0.00 0.00 54.79 53.71 3i7d n ASP 138 Cb 0.56 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.52 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 1.88 0.41 -0.97 2.12 0.00 -1.95 -3.04 119.26 117.72 3i7d h ALA 139 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.95 3i7d h ALA 139 Cb 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.58 3i7d h ALA 139 CO 0.00 -0.05 0.59 0.66 0.00 0.00 0.00 179.25 180.46 3i7d h SER 140 N 0.39 0.86 0.00 0.00 4.64 -1.96 -3.48 113.55 114.00 3i7d h SER 140 Ca 0.11 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3i7d h SER 140 Cb 0.08 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3i7d h SER 140 CO -0.02 0.44 0.00 0.61 -0.87 0.00 0.00 176.83 177.00 3i7d n GLY 141 N -1.34 -0.05 3.31 -0.77 0.00 -1.15 -5.15 105.19 100.04 3i7d n GLY 141 Ca 0.18 -1.23 -0.17 0.00 0.00 0.00 0.00 46.02 44.80 3i7d n GLY 141 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i7d s PHE 142 N -3.41 1.52 -0.15 1.61 -0.71 -1.26 -0.56 117.98 115.02 3i7d s PHE 142 Ca 0.00 -0.72 -0.05 0.00 -1.04 0.00 0.00 56.93 55.13 3i7d s PHE 142 Cb 0.00 -0.77 0.08 0.00 -1.21 0.00 0.00 43.02 41.11 3i7d s PHE 142 CO 0.00 0.17 0.28 0.00 -1.34 0.00 0.00 175.22 174.33 3i7d s ALA 143 N -3.20 -0.61 -0.09 1.99 0.00 -0.71 -5.01 121.76 114.12 3i7d s ALA 143 Ca 0.22 0.90 -0.23 0.00 0.00 0.00 0.00 51.96 52.84 3i7d s ALA 143 Cb 0.02 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 3i7d s ALA 143 CO 0.05 -0.77 0.69 -0.06 0.00 0.00 0.00 175.76 175.66 3i7d s PHE 144 N 2.44 3.54 0.29 0.00 0.40 -1.26 -2.22 117.98 121.16 3i7d s PHE 144 Ca 0.03 1.19 -0.00 0.00 -0.60 0.00 0.00 56.93 57.54 3i7d s PHE 144 Cb -0.13 -2.80 -0.02 0.00 0.51 0.00 0.00 43.02 40.58 3i7d s PHE 144 CO -0.10 0.04 0.33 0.95 0.70 0.00 0.00 175.22 177.13 3i7d s THR 145 N 1.02 0.00 0.91 0.64 -4.23 -1.26 -4.60 115.64 108.12 3i7d s THR 145 Ca 0.36 -1.80 -0.12 0.00 -1.18 0.00 0.00 61.69 58.95 3i7d s THR 145 Cb -0.17 -2.51 0.14 0.00 1.34 0.00 0.00 72.50 71.30 3i7d s THR 145 CO 0.16 0.00 1.10 -0.13 -0.54 0.00 0.00 174.62 175.21 3i7d s ARG 146 N -3.58 1.11 0.36 3.99 0.52 0.12 -4.68 118.95 116.80 3i7d s ARG 146 Ca 0.35 0.60 0.26 0.00 -0.52 0.00 0.00 55.73 56.42 3i7d s ARG 146 Cb 0.02 -1.81 1.23 0.00 0.52 0.00 0.00 34.95 34.91 3i7d s ARG 146 CO 0.19 -2.28 1.80 0.87 0.02 0.00 0.00 175.30 175.90 3i7d h LYS 147 N -1.57 0.00 -0.50 3.54 1.57 -1.88 0.50 116.57 118.23 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 -2.45 2.68 0.00 0.86 5.75 -1.26 -4.94 116.55 117.19 3i7d n ASP 148 Ca 0.00 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 3i7d n ASP 148 Cb 0.17 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 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 1.17 2.53 3.81 6.12 0.00 0.17 -5.02 105.19 113.97 3i7d n GLY 149 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.71 5.06 0.46 1.61 1.04 -1.26 -4.69 113.70 112.21 3i7d s SER 150 Ca 0.00 1.52 -0.24 0.00 0.48 0.00 0.00 55.95 57.71 3i7d s SER 150 Cb 0.00 -2.34 -0.07 0.00 0.10 0.00 0.00 66.02 63.71 3i7d s SER 150 CO 0.00 -1.63 1.26 -2.84 0.98 0.00 0.00 173.24 171.01 3i7d s PRO 151 N -5.08 3.68 0.49 4.02 0.02 -1.26 -0.70 135.00 136.17 3i7d s PRO 151 Ca 0.59 2.03 -0.23 0.00 0.02 0.00 0.00 61.00 63.41 3i7d s PRO 151 Cb -0.14 -2.50 -0.07 0.00 0.02 0.00 0.00 34.50 31.81 3i7d s PRO 151 CO 0.55 -0.69 1.34 -0.51 -0.33 0.00 0.00 177.00 177.36 3i7d s LEU 152 N -2.93 3.99 0.33 -5.54 1.43 -1.26 -4.61 118.68 110.09 3i7d s LEU 152 Ca 0.63 2.73 0.07 0.00 -1.03 0.00 0.00 54.13 56.53 3i7d s LEU 152 Cb -0.35 -4.14 -0.01 0.00 0.03 0.00 0.00 46.19 41.72 3i7d s LEU 152 CO 0.43 -1.29 0.42 0.42 0.23 0.00 0.00 176.35 176.56 3i7d s THR 153 N -1.30 3.93 0.25 5.49 -4.23 -1.26 -4.95 115.64 113.57 3i7d s THR 153 Ca 0.66 -1.10 -0.03 0.00 -1.18 0.00 0.00 61.69 60.04 3i7d s THR 153 Cb -0.39 -3.35 0.23 0.00 1.34 0.00 0.00 72.50 70.33 3i7d s THR 153 CO 0.48 -0.16 1.80 0.00 -0.54 0.00 0.00 174.62 176.20 3i7d h ALA 154 N 0.99 1.24 -0.41 3.99 0.00 -1.95 -0.02 119.26 123.10 3i7d h ALA 154 Ca -0.45 0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.56 3i7d h ALA 154 Cb 1.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3i7d h ALA 154 CO 0.54 0.06 0.28 -0.44 0.00 0.00 0.00 179.25 179.69 3i7d h ASP 155 N 0.76 0.29 0.02 0.00 5.19 -1.95 0.92 116.42 121.65 3i7d h ASP 155 Ca 0.43 -0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.70 3i7d h ASP 155 Cb 0.46 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.89 3i7d h ASP 155 CO -0.28 0.19 -0.75 1.56 -3.12 0.00 0.00 179.24 176.85 3i7d h GLN 156 N 0.34 0.04 0.00 3.56 4.20 -1.68 -3.42 115.11 118.14 3i7d h GLN 156 Ca 0.18 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3i7d h GLN 156 Cb 0.29 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3i7d h GLN 156 CO -0.04 1.03 0.00 0.44 -0.67 0.00 0.00 178.83 179.59 3i7d n ILE 157 N -4.44 0.90 -0.55 2.54 -5.35 -0.12 -4.96 119.36 107.39 3i7d n ILE 157 Ca -0.22 -0.93 0.00 0.00 -0.27 0.00 0.00 62.75 61.33 3i7d n ILE 157 Cb 0.63 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 39.08 3i7d n ILE 157 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40