#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1z n LYS 13 N 0.00 0.00 -0.37 2.89 4.76 -1.26 -4.78 118.16 119.40 3i1z n LYS 13 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3i1z n LYS 13 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3i1z n LYS 13 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 3i1z n GLN 14 N 0.00 0.00 0.00 1.97 -0.06 -1.26 -5.04 117.38 112.99 3i1z n GLN 14 Ca 0.00 0.37 0.00 0.00 -2.00 0.00 0.00 57.00 55.37 3i1z n GLN 14 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 3i1z n GLN 14 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 3i1z n VAL 15 N 0.63 0.00 0.00 1.69 3.14 -0.68 -5.00 118.33 118.11 3i1z n VAL 15 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3i1z n VAL 15 Cb 0.00 0.05 0.00 0.00 -1.06 0.00 0.00 33.84 32.83 3i1z n VAL 15 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3i1z n SER 16 N -0.69 0.00 -4.20 6.55 3.41 -1.10 -4.85 113.62 112.74 3i1z n SER 16 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 3i1z n SER 16 Cb 0.05 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.83 3i1z n SER 16 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3i1z s ASP 17 N 0.00 3.11 0.40 4.04 1.47 -1.26 0.23 116.67 124.66 3i1z s ASP 17 Ca 0.00 -0.58 0.00 0.00 1.18 0.00 0.00 52.55 53.15 3i1z s ASP 17 Cb 0.00 -1.43 0.00 0.00 -0.34 0.00 0.00 42.92 41.15 3i1z s ASP 17 CO 0.00 0.12 0.01 0.61 0.68 0.00 0.00 175.17 176.59 3i1z n GLY 18 N 3.81 3.66 3.20 2.12 0.00 -1.22 -4.51 105.19 112.25 3i1z n GLY 18 Ca -0.20 -2.34 -0.32 0.00 0.00 0.00 0.00 46.02 43.17 3i1z n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1z s VAL 19 N -2.43 2.05 -0.77 1.61 1.01 0.20 -1.83 120.40 120.24 3i1z s VAL 19 Ca 0.01 -1.00 -0.19 0.00 0.00 0.00 0.00 61.98 60.80 3i1z s VAL 19 Cb -0.00 -1.78 0.12 0.00 0.00 0.00 0.00 36.38 34.72 3i1z s VAL 19 CO 0.01 0.55 0.95 0.00 0.00 0.00 0.00 175.10 176.61 3i1z s ALA 20 N 0.47 3.40 -0.35 5.51 0.00 0.43 -1.72 121.76 129.50 3i1z s ALA 20 Ca -0.16 -2.48 -0.18 0.00 0.00 0.00 0.00 51.96 49.14 3i1z s ALA 20 Cb -0.17 -3.82 -0.01 0.00 0.00 0.00 0.00 23.12 19.12 3i1z s ALA 20 CO 0.06 -2.70 0.49 -1.01 0.00 0.00 0.00 175.76 172.60 3i1z s HIS 21 N 2.73 3.19 -0.00 0.00 3.76 -0.93 -1.08 115.29 122.95 3i1z s HIS 21 Ca 0.23 0.16 0.06 0.00 -0.15 0.00 0.00 55.06 55.37 3i1z s HIS 21 Cb -0.13 -2.89 -0.02 0.00 1.11 0.00 0.00 32.58 30.66 3i1z s HIS 21 CO -0.01 -0.52 -0.20 0.96 -0.85 0.00 0.00 174.74 174.12 3i1z s ILE 22 N 2.34 1.61 -0.75 0.60 -4.36 -1.22 0.39 121.20 119.81 3i1z s ILE 22 Ca 0.18 -0.95 0.04 0.00 -0.26 0.00 0.00 60.65 59.66 3i1z s ILE 22 Cb -0.16 -1.36 0.19 0.00 1.25 0.00 0.00 42.46 42.38 3i1z s ILE 22 CO 0.13 0.39 0.58 1.57 0.24 0.00 0.00 174.94 177.85 3i1z n HIS 23 N 2.40 3.49 -2.46 1.37 -0.00 -0.60 -3.85 115.22 115.56 3i1z n HIS 23 Ca -0.16 -4.26 -0.38 0.00 0.46 0.00 0.00 57.72 53.38 3i1z n HIS 23 Cb 0.53 -0.73 -0.03 0.00 -0.12 0.00 0.00 29.99 29.63 3i1z n HIS 23 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3i1z s ALA 24 N -1.54 2.54 0.74 1.57 0.00 -0.95 -3.34 121.76 120.78 3i1z s ALA 24 Ca 0.27 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 50.07 3i1z s ALA 24 Cb -0.03 -4.54 0.00 0.00 0.00 0.00 0.00 23.12 18.54 3i1z s ALA 24 CO -0.15 -3.85 0.00 -1.13 0.00 0.00 0.00 175.76 170.63 3i1z n SER 25 N 9.88 0.00 0.10 0.00 3.41 -0.49 -2.96 113.62 123.56 3i1z n SER 25 Ca 0.35 -0.79 -0.19 0.00 -0.26 0.00 0.00 58.87 57.99 3i1z n SER 25 Cb 0.50 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.30 3i1z n SER 25 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3i1z h PHE 26 N -0.59 0.61 0.13 7.33 -1.00 -1.93 -3.39 116.94 118.10 3i1z h PHE 26 Ca 0.00 -0.44 -0.26 0.00 2.81 0.00 0.00 57.97 60.08 3i1z h PHE 26 Cb 0.00 -0.02 0.01 0.00 3.61 0.00 0.00 35.95 39.54 3i1z h PHE 26 CO 0.00 1.40 -1.26 -0.91 -1.61 0.00 0.00 178.31 175.93 3i1z h ASN 27 N 0.09 0.44 -4.96 2.17 4.21 -1.94 -3.45 115.58 112.14 3i1z h ASN 27 Ca -0.21 -0.89 -0.17 0.00 1.21 0.00 0.00 56.30 56.25 3i1z h ASN 27 Cb 2.04 -0.14 -0.15 0.00 -1.12 0.00 0.00 38.32 38.95 3i1z h ASN 27 CO 0.21 1.57 -0.69 0.21 -1.29 0.00 0.00 177.43 177.43 3i1z s ASN 28 N -7.05 0.77 -0.24 5.81 3.84 -1.26 -4.07 114.94 112.74 3i1z s ASN 28 Ca -0.17 -0.99 -0.01 0.00 0.21 0.00 0.00 52.86 51.89 3i1z s ASN 28 Cb 0.03 0.15 0.07 0.00 -0.55 0.00 0.00 41.25 40.96 3i1z s ASN 28 CO 0.80 -0.54 0.04 -0.89 -2.79 0.00 0.00 177.10 173.72 3i1z s THR 29 N -3.75 0.84 0.03 -5.21 2.01 -1.26 -1.40 115.64 106.90 3i1z s THR 29 Ca 0.09 -0.99 -0.11 0.00 0.31 0.00 0.00 61.69 60.99 3i1z s THR 29 Cb 0.06 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 71.12 3i1z s THR 29 CO -0.08 -0.36 0.37 0.27 -0.69 0.00 0.00 174.62 174.14 3i1z s ILE 30 N 1.69 5.12 -0.20 1.82 -5.25 -1.21 -1.95 121.20 121.22 3i1z s ILE 30 Ca 0.02 0.56 0.01 0.00 -0.99 0.00 0.00 60.65 60.26 3i1z s ILE 30 Cb -0.17 -3.64 0.03 0.00 2.95 0.00 0.00 42.46 41.62 3i1z s ILE 30 CO -0.14 0.44 -0.18 -0.69 -1.79 0.00 0.00 174.94 172.58 3i1z s VAL 31 N -1.23 2.09 -0.23 8.37 1.01 0.44 -1.56 120.40 129.27 3i1z s VAL 31 Ca 0.27 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3i1z s VAL 31 Cb -0.15 -1.96 0.06 0.00 0.00 0.00 0.00 36.38 34.34 3i1z s VAL 31 CO 0.15 0.41 -0.03 -0.89 0.00 0.00 0.00 175.10 174.74 3i1z s THR 32 N 1.25 1.37 0.43 3.92 2.01 0.16 -0.15 115.64 124.63 3i1z s THR 32 Ca 0.02 -1.16 -0.23 0.00 0.31 0.00 0.00 61.69 60.63 3i1z s THR 32 Cb -0.15 -1.70 -0.09 0.00 0.01 0.00 0.00 72.50 70.58 3i1z s THR 32 CO -0.11 -0.15 1.07 -0.63 -0.69 0.00 0.00 174.62 174.11 3i1z s ILE 33 N 1.46 3.62 0.33 1.82 -1.09 0.11 -2.19 121.20 125.25 3i1z s ILE 33 Ca -0.04 1.19 -0.09 0.00 -2.23 0.00 0.00 60.65 59.48 3i1z s ILE 33 Cb -0.19 -3.59 0.01 0.00 -1.58 0.00 0.00 42.46 37.12 3i1z s ILE 33 CO -0.07 -0.04 0.56 0.28 -1.23 0.00 0.00 174.94 174.44 3i1z s THR 34 N -1.69 0.00 0.77 2.92 -1.32 -0.70 0.93 115.64 116.55 3i1z s THR 34 Ca 0.60 -1.38 -0.06 0.00 -1.21 0.00 0.00 61.69 59.64 3i1z s THR 34 Cb -0.22 -2.56 0.13 0.00 -1.51 0.00 0.00 72.50 68.33 3i1z s THR 34 CO 0.28 0.00 1.07 1.51 -2.21 0.00 0.00 174.62 175.27 3i1z s ASP 35 N -3.13 4.18 0.14 8.08 3.84 -1.26 0.62 116.67 129.15 3i1z s ASP 35 Ca 0.24 0.02 -0.23 0.00 -0.00 0.00 0.00 52.55 52.58 3i1z s ASP 35 Cb -0.02 -0.40 0.00 0.00 -1.38 0.00 0.00 42.92 41.13 3i1z s ASP 35 CO 0.15 -1.99 1.64 0.03 -0.00 0.00 0.00 175.17 175.00 3i1z h ARG 36 N -0.81 -0.23 0.00 2.11 3.08 -1.88 0.39 114.38 117.03 3i1z h ARG 36 Ca -0.41 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.66 3i1z h ARG 36 Cb 1.27 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3i1z h ARG 36 CO 0.45 -0.16 0.00 1.04 -1.07 0.00 0.00 179.97 180.23 3i1z n GLN 37 N -5.35 0.20 -1.98 0.04 1.13 -1.26 -4.94 117.38 105.23 3i1z n GLN 37 Ca -0.02 0.14 -0.01 0.00 -1.94 0.00 0.00 57.00 55.17 3i1z n GLN 37 Cb 0.26 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.10 3i1z n GLN 37 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i1z n GLY 38 N 0.12 -3.65 0.00 1.08 0.00 0.14 -5.05 105.19 97.82 3i1z n GLY 38 Ca 0.07 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3i1z n GLY 38 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i1z n ASN 39 N 0.47 0.01 -0.72 1.61 3.02 -1.26 -4.87 115.26 113.52 3i1z n ASN 39 Ca -0.08 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 3i1z n ASN 39 Cb 0.12 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 3i1z n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1z n ALA 40 N -0.00 -2.93 0.00 5.41 0.00 -1.26 -4.89 120.51 116.84 3i1z n ALA 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1z n ALA 40 Cb 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1z n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i1z n LEU 41 N 0.00 0.00 -3.60 0.00 4.77 0.26 -4.84 117.00 113.59 3i1z n LEU 41 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 3i1z n LEU 41 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3i1z n LEU 41 CO 0.00 0.00 0.99 -0.83 -1.33 0.00 0.00 177.39 176.22 3i1z s GLY 42 N -2.27 -0.34 -0.13 -0.72 0.00 -0.67 -4.87 107.32 98.33 3i1z s GLY 42 Ca 0.00 1.24 -0.29 0.00 0.00 0.00 0.00 44.72 45.67 3i1z s GLY 42 CO 0.00 0.38 0.70 0.66 0.00 0.00 0.00 173.10 174.84 3i1z s TRP 43 N -2.50 -0.70 -0.09 1.90 1.48 -1.26 0.08 118.94 117.85 3i1z s TRP 43 Ca 0.11 1.40 -0.09 0.00 -1.06 0.00 0.00 56.10 56.45 3i1z s TRP 43 Cb 0.01 0.36 0.02 0.00 -1.16 0.00 0.00 33.47 32.70 3i1z s TRP 43 CO -0.04 -0.53 0.26 0.00 -4.06 0.00 0.00 176.95 172.58 3i1z s ALA 44 N -0.65 -0.65 0.02 2.67 0.00 0.79 -4.88 121.76 119.06 3i1z s ALA 44 Ca -0.07 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.59 3i1z s ALA 44 Cb -0.02 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 3i1z s ALA 44 CO 0.07 -0.14 0.05 0.95 0.00 0.00 0.00 175.76 176.69 3i1z s THR 45 N 0.00 4.45 0.04 0.00 -4.23 -1.26 -0.42 115.64 114.22 3i1z s THR 45 Ca -0.01 -0.58 -0.18 0.00 -1.18 0.00 0.00 61.69 59.74 3i1z s THR 45 Cb -0.02 -3.04 -0.09 0.00 1.34 0.00 0.00 72.50 70.69 3i1z s THR 45 CO 0.01 0.30 1.28 0.00 -0.54 0.00 0.00 174.62 175.67 3i1z h ALA 46 N 3.99 -0.95 0.00 3.99 0.00 -1.70 0.29 119.26 124.88 3i1z h ALA 46 Ca -0.48 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3i1z h ALA 46 Cb 1.18 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.47 3i1z h ALA 46 CO 0.61 -0.97 0.00 0.41 0.00 0.00 0.00 179.25 179.30 3i1z n GLY 47 N -1.28 -0.95 0.12 0.00 0.00 -1.26 -2.58 105.19 99.23 3i1z n GLY 47 Ca -0.06 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 45.92 3i1z n GLY 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i1z h GLY 48 N 2.42 0.00 -1.05 -0.02 0.00 -1.34 -3.22 103.07 99.87 3i1z h GLY 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i1z h GLY 48 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 3i1z n SER 49 N -3.12 0.92 0.00 0.19 7.64 0.85 -4.85 113.62 115.25 3i1z n SER 49 Ca -0.02 -1.68 0.00 0.00 1.01 0.00 0.00 58.87 58.19 3i1z n SER 49 Cb 0.78 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 3i1z n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1z n GLY 50 N 0.11 1.95 3.69 0.23 0.00 -1.22 -4.98 105.19 104.98 3i1z n GLY 50 Ca 0.00 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 3i1z n GLY 50 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3i1z n PHE 51 N 0.00 1.86 -4.23 1.61 -1.74 -1.26 -4.96 117.46 108.74 3i1z n PHE 51 Ca 0.00 0.47 -0.15 0.00 -0.56 0.00 0.00 57.45 57.20 3i1z n PHE 51 Cb 0.00 -2.31 -0.11 0.00 1.52 0.00 0.00 39.48 38.58 3i1z n PHE 51 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 3i1z s ARG 52 N -2.55 0.99 1.41 3.97 1.81 -1.26 -4.10 118.95 119.22 3i1z s ARG 52 Ca 0.68 -1.31 0.00 0.00 -1.72 0.00 0.00 55.73 53.38 3i1z s ARG 52 Cb -0.46 -0.69 0.00 0.00 -0.45 0.00 0.00 34.95 33.35 3i1z s ARG 52 CO 0.52 0.11 0.00 0.41 -0.68 0.00 0.00 175.30 175.66 3i1z n GLY 53 N 0.23 0.84 0.33 -3.53 0.00 -1.26 -3.93 105.19 97.86 3i1z n GLY 53 Ca -0.13 -1.38 0.17 0.00 0.00 0.00 0.00 46.02 44.68 3i1z n GLY 53 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i1z h SER 54 N 2.97 0.00 0.10 1.61 4.64 -1.98 -2.34 113.55 118.56 3i1z h SER 54 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3i1z h SER 54 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3i1z h SER 54 CO 0.00 0.00 -0.05 0.03 -0.87 0.00 0.00 176.83 175.94 3i1z h ARG 55 N 0.00 -0.13 0.00 4.77 2.47 -1.93 -3.06 114.38 116.50 3i1z h ARG 55 Ca 0.04 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 3i1z h ARG 55 Cb 0.27 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 3i1z h ARG 55 CO -0.00 0.34 0.00 0.36 0.56 0.00 0.00 179.97 181.23 3i1z n LYS 56 N -4.90 0.07 -0.66 0.04 2.85 -0.90 -2.31 118.16 112.35 3i1z n LYS 56 Ca -0.08 0.26 0.06 0.00 -1.05 0.00 0.00 58.31 57.50 3i1z n LYS 56 Cb 0.27 -1.50 0.32 0.00 -0.65 0.00 0.00 35.03 33.47 3i1z n LYS 56 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3i1z n SER 57 N -1.33 4.57 -4.68 -5.58 7.64 -1.09 -4.56 113.62 108.59 3i1z n SER 57 Ca 0.03 -2.64 -0.23 0.00 1.01 0.00 0.00 58.87 57.04 3i1z n SER 57 Cb 0.06 -0.61 -0.07 0.00 -1.01 0.00 0.00 64.21 62.57 3i1z n SER 57 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3i1z s THR 58 N -2.24 3.27 0.36 0.44 -4.23 -0.98 -4.73 115.64 107.54 3i1z s THR 58 Ca 0.43 -1.83 0.09 0.00 -1.18 0.00 0.00 61.69 59.20 3i1z s THR 58 Cb 0.32 -2.90 0.11 0.00 1.34 0.00 0.00 72.50 71.36 3i1z s THR 58 CO 0.15 -0.30 1.84 1.55 -0.54 0.00 0.00 174.62 177.32 3i1z h PRO 59 N 1.76 0.18 0.00 3.99 0.13 -1.90 -2.49 132.00 133.66 3i1z h PRO 59 Ca -0.44 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3i1z h PRO 59 Cb 1.25 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3i1z h PRO 59 CO 0.62 0.44 0.00 0.35 -0.23 0.00 0.00 178.00 179.18 3i1z h PHE 60 N 0.16 0.00 0.18 1.56 3.57 -1.93 -2.78 116.94 117.69 3i1z h PHE 60 Ca 0.03 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.22 3i1z h PHE 60 Cb 0.56 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.32 3i1z h PHE 60 CO 0.01 0.00 -1.33 0.00 -2.23 0.00 0.00 178.31 174.75 3i1z h ALA 61 N 2.03 -0.02 0.00 2.41 0.00 -1.70 -3.20 119.26 118.78 3i1z h ALA 61 Ca 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 54.91 53.96 3i1z h ALA 61 Cb 0.61 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3i1z h ALA 61 CO 0.00 0.80 -0.49 0.00 0.00 0.00 0.00 179.25 179.56 3i1z h ALA 62 N 0.36 0.74 -0.09 0.00 0.00 -1.45 -2.72 119.26 116.09 3i1z h ALA 62 Ca -0.19 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 3i1z h ALA 62 Cb 2.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.74 3i1z h ALA 62 CO 0.24 0.62 0.02 0.37 0.00 0.00 0.00 179.25 180.49 3i1z h GLN 63 N 0.00 0.16 -0.63 0.00 4.15 -1.58 -1.50 115.11 115.70 3i1z h GLN 63 Ca -0.00 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.32 3i1z h GLN 63 Cb 1.28 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.92 3i1z h GLN 63 CO 0.06 0.36 0.19 -0.24 -1.93 0.00 0.00 178.83 177.27 3i1z h VAL 64 N -0.07 1.25 -0.44 2.39 3.04 -1.57 -1.93 116.25 118.91 3i1z h VAL 64 Ca 0.03 -0.86 0.03 0.00 -1.01 0.00 0.00 66.70 64.89 3i1z h VAL 64 Cb 0.28 0.62 -0.02 0.00 -2.01 0.00 0.00 31.29 30.15 3i1z h VAL 64 CO 0.00 0.33 0.29 0.00 -1.01 0.00 0.00 177.57 177.18 3i1z h ALA 65 N 1.07 1.82 -0.39 3.17 0.00 -1.44 -0.37 119.26 123.12 3i1z h ALA 65 Ca 0.20 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3i1z h ALA 65 Cb 0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3i1z h ALA 65 CO -0.00 0.13 -0.11 0.00 0.00 0.00 0.00 179.25 179.27 3i1z h ALA 66 N 1.75 1.09 -0.28 0.00 0.00 -0.51 -1.77 119.26 119.53 3i1z h ALA 66 Ca 0.18 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3i1z h ALA 66 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3i1z h ALA 66 CO -0.04 0.56 -0.03 0.93 0.00 0.00 0.00 179.25 180.67 3i1z h GLU 67 N 0.62 0.52 0.00 0.00 5.08 -0.57 0.66 114.58 120.89 3i1z h GLU 67 Ca 0.11 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3i1z h GLU 67 Cb 0.55 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3i1z h GLU 67 CO 0.03 0.69 0.00 0.54 -1.00 0.00 0.00 179.01 179.28 3i1z n ARG 68 N -4.55 0.14 0.00 2.33 1.74 -0.90 -0.45 116.66 114.97 3i1z n ARG 68 Ca -0.03 0.13 0.10 0.00 -0.77 0.00 0.00 57.85 57.28 3i1z n ARG 68 Cb 0.28 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.15 3i1z n ARG 68 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i1z n ALA 70 N -1.06 3.68 -2.83 0.00 0.00 0.22 -4.65 120.51 115.88 3i1z n ALA 70 Ca 0.06 -0.43 -0.30 0.00 0.00 0.00 0.00 53.44 52.76 3i1z n ALA 70 Cb 0.37 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.80 3i1z n ALA 70 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i1z s ASP 71 N -3.54 5.83 -1.18 0.00 -1.08 0.41 -4.14 116.67 112.96 3i1z s ASP 71 Ca 0.06 0.09 0.00 0.00 -0.52 0.00 0.00 52.55 52.18 3i1z s ASP 71 Cb 0.15 -1.65 0.00 0.00 -1.46 0.00 0.00 42.92 39.96 3i1z s ASP 71 CO 0.79 0.17 0.00 0.00 0.52 0.00 0.00 175.17 176.65 3i1z n ALA 72 N 0.36 -0.17 0.00 3.66 0.00 -1.26 -4.75 120.51 118.35 3i1z n ALA 72 Ca -0.07 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3i1z n ALA 72 Cb 0.51 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3i1z n ALA 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i1z n VAL 73 N -2.55 0.00 1.51 0.00 0.24 -1.26 -4.68 118.33 111.59 3i1z n VAL 73 Ca -0.11 -0.01 0.12 0.00 -2.04 0.00 0.00 64.34 62.30 3i1z n VAL 73 Cb 0.43 0.24 0.71 0.00 -1.47 0.00 0.00 33.84 33.75 3i1z n VAL 73 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3i1z n LYS 74 N -0.61 0.76 0.02 7.34 5.02 -1.26 -2.53 118.16 126.89 3i1z n LYS 74 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 3i1z n LYS 74 Cb 0.00 -1.49 0.14 0.00 -0.02 0.00 0.00 35.03 33.65 3i1z n LYS 74 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i1z n GLU 75 N -0.99 0.02 -0.51 1.97 -0.58 -1.26 -0.40 120.64 118.88 3i1z n GLU 75 Ca 0.18 0.44 0.04 0.00 -0.42 0.00 0.00 57.16 57.40 3i1z n GLU 75 Cb 0.08 -1.54 0.22 0.00 -0.57 0.00 0.00 31.44 29.63 3i1z n GLU 75 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3i1z n TYR 76 N -1.58 0.82 -3.61 -0.32 4.02 -1.05 -3.90 117.16 111.54 3i1z n TYR 76 Ca 0.01 -1.16 -0.23 0.00 -0.01 0.00 0.00 57.90 56.51 3i1z n TYR 76 Cb 0.05 -0.35 0.00 0.00 -0.02 0.00 0.00 39.34 39.03 3i1z n TYR 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i1z n GLY 77 N -0.88 -0.84 3.94 2.72 0.00 0.46 -1.68 105.19 108.91 3i1z n GLY 77 Ca 0.24 0.38 -0.24 0.00 0.00 0.00 0.00 46.02 46.40 3i1z n GLY 77 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i1z s ILE 78 N -3.09 4.49 0.00 -0.61 -4.36 -1.26 -2.72 121.20 113.65 3i1z s ILE 78 Ca 0.11 -0.31 0.00 0.00 -0.26 0.00 0.00 60.65 60.19 3i1z s ILE 78 Cb -0.06 -3.67 0.00 0.00 1.25 0.00 0.00 42.46 39.98 3i1z s ILE 78 CO 0.66 -0.52 0.00 0.29 0.24 0.00 0.00 174.94 175.62 3i1z n LYS 79 N -2.07 0.00 -3.30 0.37 4.01 0.62 -4.90 118.16 112.90 3i1z n LYS 79 Ca -0.00 0.00 -0.45 0.00 -0.51 0.00 0.00 58.31 57.34 3i1z n LYS 79 Cb 0.57 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 35.03 3i1z n LYS 79 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3i1z s ASN 80 N -2.99 6.18 0.12 4.39 4.22 -0.72 -0.59 114.94 125.56 3i1z s ASN 80 Ca 0.00 -1.64 0.10 0.00 -2.14 0.00 0.00 52.86 49.18 3i1z s ASN 80 Cb 0.00 -2.22 -0.04 0.00 1.28 0.00 0.00 41.25 40.27 3i1z s ASN 80 CO 0.00 -0.85 -0.24 -1.48 -2.04 0.00 0.00 177.10 172.49 3i1z s LEU 81 N 1.75 2.41 0.10 3.54 2.34 -1.23 -3.41 118.68 124.18 3i1z s LEU 81 Ca 0.04 -0.68 -0.01 0.00 0.06 0.00 0.00 54.13 53.54 3i1z s LEU 81 Cb -0.28 -1.31 -0.04 0.00 -0.56 0.00 0.00 46.19 43.99 3i1z s LEU 81 CO 0.04 0.19 0.28 -1.83 -1.06 0.00 0.00 176.35 173.97 3i1z s GLU 82 N -2.00 3.50 0.07 1.48 1.03 -0.76 0.16 118.70 122.19 3i1z s GLU 82 Ca 0.15 -0.33 0.02 0.00 0.03 0.00 0.00 54.97 54.83 3i1z s GLU 82 Cb -0.10 -2.96 -0.04 0.00 -0.80 0.00 0.00 34.13 30.23 3i1z s GLU 82 CO 0.07 0.55 0.11 0.08 -1.33 0.00 0.00 175.26 174.73 3i1z s VAL 83 N -1.60 4.75 -0.35 1.83 1.01 0.77 -0.43 120.40 126.38 3i1z s VAL 83 Ca 0.37 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3i1z s VAL 83 Cb -0.12 -3.29 0.14 0.00 0.00 0.00 0.00 36.38 33.11 3i1z s VAL 83 CO 0.27 0.15 0.24 -0.04 0.00 0.00 0.00 175.10 175.72 3i1z s MET 84 N -2.37 0.55 0.99 2.72 -1.94 -0.24 -0.62 119.30 118.40 3i1z s MET 84 Ca 0.30 -1.20 -0.16 0.00 -1.71 0.00 0.00 55.69 52.92 3i1z s MET 84 Cb -0.12 -1.17 0.20 0.00 2.01 0.00 0.00 34.83 35.75 3i1z s MET 84 CO 0.23 -1.20 1.24 0.08 -0.01 0.00 0.00 175.02 175.36 3i1z s VAL 85 N 1.18 1.92 -0.30 -6.03 1.01 0.65 -3.44 120.40 115.39 3i1z s VAL 85 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.97 3i1z s VAL 85 Cb -0.21 -2.87 0.20 0.00 0.00 0.00 0.00 36.38 33.51 3i1z s VAL 85 CO -0.01 0.00 1.32 -0.75 0.00 0.00 0.00 175.10 175.67 3i1z s LYS 86 N -5.69 0.05 0.32 2.72 2.20 -1.25 -1.31 119.74 116.77 3i1z s LYS 86 Ca 0.71 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 3i1z s LYS 86 Cb -0.07 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.27 3i1z s LYS 86 CO 0.53 -0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.92 3i1z n GLY 87 N 2.59 -3.78 3.67 5.54 0.00 -1.26 -2.23 105.19 109.71 3i1z n GLY 87 Ca -0.15 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 3i1z n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i1z s PRO 88 N -4.73 -0.86 0.00 1.61 0.04 -1.16 -4.35 135.00 125.55 3i1z s PRO 88 Ca 0.00 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 60.88 3i1z s PRO 88 Cb 0.00 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.89 3i1z s PRO 88 CO 0.00 -3.46 0.00 0.41 0.04 0.00 0.00 177.00 173.99 3i1z n GLY 89 N -1.56 1.50 3.74 0.56 0.00 -1.26 -3.75 105.19 104.41 3i1z n GLY 89 Ca 0.14 -2.16 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 3i1z n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i1z s PRO 90 N -1.57 2.76 0.00 1.61 0.04 -1.26 -2.80 135.00 133.78 3i1z s PRO 90 Ca 0.00 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.17 3i1z s PRO 90 Cb 0.00 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3i1z s PRO 90 CO 0.00 -1.45 0.00 0.41 0.04 0.00 0.00 177.00 176.00 3i1z n GLY 91 N 0.83 1.50 0.06 0.56 0.00 -1.26 -4.75 105.19 102.14 3i1z n GLY 91 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 3i1z n GLY 91 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3i1z h ARG 92 N 2.89 0.01 0.00 1.61 2.43 -1.87 -2.62 114.38 116.84 3i1z h ARG 92 Ca 0.00 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 58.92 3i1z h ARG 92 Cb 0.00 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 3i1z h ARG 92 CO 0.00 0.95 -1.87 -1.91 -1.51 0.00 0.00 179.97 175.63 3i1z n GLU 93 N -3.32 0.71 0.00 0.20 2.13 -1.26 -4.57 120.64 114.53 3i1z n GLU 93 Ca -0.02 0.07 0.11 0.00 0.66 0.00 0.00 57.16 57.98 3i1z n GLU 93 Cb 0.96 -1.31 0.65 0.00 0.27 0.00 0.00 31.44 32.01 3i1z n GLU 93 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3i1z n SER 94 N -2.85 0.00 0.01 4.31 2.88 -1.26 -2.71 113.62 114.00 3i1z n SER 94 Ca -0.26 -0.83 -0.18 0.00 -1.33 0.00 0.00 58.87 56.27 3i1z n SER 94 Cb 0.81 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.17 3i1z n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1z h THR 95 N 0.00 1.36 0.00 2.46 1.03 -1.71 -3.29 112.91 112.76 3i1z h THR 95 Ca 0.00 -2.12 -0.05 0.00 -0.01 0.00 0.00 66.41 64.23 3i1z h THR 95 Cb 0.00 2.45 -0.01 0.00 -1.07 0.00 0.00 68.15 69.52 3i1z h THR 95 CO 0.00 0.64 -0.22 0.16 -0.01 0.00 0.00 175.52 176.08 3i1z h ILE 96 N 0.14 0.45 0.00 0.00 3.07 -1.79 -3.31 117.51 116.07 3i1z h ILE 96 Ca -0.09 -1.32 0.00 0.00 1.55 0.00 0.00 64.86 65.00 3i1z h ILE 96 Cb 1.46 1.97 0.00 0.00 -0.27 0.00 0.00 36.82 39.97 3i1z h ILE 96 CO 0.15 0.22 0.00 0.54 -1.05 0.00 0.00 178.15 178.01 3i1z n ARG 97 N -3.25 0.00 -0.73 0.16 5.12 -1.24 -0.11 116.66 116.61 3i1z n ARG 97 Ca 0.02 0.53 -0.07 0.00 -1.93 0.00 0.00 57.85 56.39 3i1z n ARG 97 Cb 0.52 -1.36 -0.03 0.00 -1.16 0.00 0.00 32.46 30.44 3i1z n ARG 97 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i1z n ALA 98 N -1.86 4.80 0.00 7.54 0.00 -1.25 -3.25 120.51 126.49 3i1z n ALA 98 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.61 3i1z n ALA 98 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.07 3i1z n ALA 98 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1z n LEU 99 N 1.42 0.08 -0.27 0.00 7.94 -0.98 -4.34 117.00 120.85 3i1z n LEU 99 Ca 0.17 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 55.02 3i1z n LEU 99 Cb 0.60 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.61 3i1z n LEU 99 CO 0.12 -0.30 1.17 -1.13 -1.11 0.00 0.00 177.39 176.14 3i1z h ASN 100 N 0.00 0.88 -1.20 1.96 -0.73 -0.51 -2.20 115.58 113.79 3i1z h ASN 100 Ca 0.00 -0.04 -0.68 0.00 1.87 0.00 0.00 56.30 57.45 3i1z h ASN 100 Cb 0.08 -0.22 -0.30 0.00 0.27 0.00 0.00 38.32 38.14 3i1z h ASN 100 CO 0.00 0.66 0.69 0.00 -0.37 0.00 0.00 177.43 178.41 3i1z n ALA 101 N -2.32 6.21 -0.14 1.57 0.00 -1.20 -4.08 120.51 120.55 3i1z n ALA 101 Ca 0.07 -3.67 0.00 0.00 0.00 0.00 0.00 53.44 49.84 3i1z n ALA 101 Cb 0.03 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 17.85 3i1z n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1z n ALA 102 N -0.81 1.89 0.00 0.00 0.00 -0.82 -4.94 120.51 115.83 3i1z n ALA 102 Ca 0.58 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3i1z n ALA 102 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3i1z n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1z n GLY 103 N 0.23 1.03 2.63 0.00 0.00 -1.25 -5.01 105.19 102.81 3i1z n GLY 103 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3i1z n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1z s PHE 104 N -2.00 0.02 -0.83 1.61 0.08 -1.25 -4.64 117.98 110.97 3i1z s PHE 104 Ca 0.00 -0.58 -0.26 0.00 0.12 0.00 0.00 56.93 56.21 3i1z s PHE 104 Cb 0.00 -0.72 -0.13 0.00 -0.57 0.00 0.00 43.02 41.60 3i1z s PHE 104 CO 0.00 -0.85 2.33 0.50 -0.10 0.00 0.00 175.22 177.10 3i1z s ARG 105 N 2.20 1.70 0.21 0.44 3.52 0.24 -4.65 118.95 122.62 3i1z s ARG 105 Ca 0.09 0.31 -0.32 0.00 -0.13 0.00 0.00 55.73 55.68 3i1z s ARG 105 Cb -0.15 -4.84 -0.15 0.00 -1.56 0.00 0.00 34.95 28.25 3i1z s ARG 105 CO -0.34 -4.39 1.19 1.51 -0.81 0.00 0.00 175.30 172.47 3i1z n ILE 106 N 8.69 1.11 0.00 4.11 0.00 -1.26 -3.57 119.36 128.43 3i1z n ILE 106 Ca 0.46 -0.28 0.00 0.00 0.00 0.00 0.00 62.75 62.93 3i1z n ILE 106 Cb 0.44 -1.03 0.00 0.00 0.00 0.00 0.00 39.64 39.05 3i1z n ILE 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3i1z n THR 107 N 1.36 0.00 -4.23 9.51 -1.04 0.12 -4.83 114.28 115.18 3i1z n THR 107 Ca 0.13 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.95 3i1z n THR 107 Cb 0.28 -0.30 -0.11 0.00 -1.82 0.00 0.00 70.33 68.37 3i1z n THR 107 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3i1z s ASN 108 N -1.00 1.98 0.01 8.00 0.02 -1.26 -4.94 114.94 117.76 3i1z s ASN 108 Ca 0.00 -0.74 0.04 0.00 -1.02 0.00 0.00 52.86 51.13 3i1z s ASN 108 Cb 0.00 -0.07 -0.03 0.00 0.02 0.00 0.00 41.25 41.16 3i1z s ASN 108 CO 0.00 -0.10 -0.08 -0.63 0.02 0.00 0.00 177.10 176.31 3i1z s ILE 109 N -1.78 3.56 -0.06 0.60 1.01 -1.26 0.27 121.20 123.54 3i1z s ILE 109 Ca 0.06 -0.83 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 3i1z s ILE 109 Cb -0.07 -2.55 0.02 0.00 0.01 0.00 0.00 42.46 39.87 3i1z s ILE 109 CO 0.03 0.38 0.22 0.42 0.00 0.00 0.00 174.94 175.99 3i1z s THR 110 N -1.00 0.03 -0.20 2.92 -4.23 0.21 -4.90 115.64 108.47 3i1z s THR 110 Ca 0.17 -0.22 -0.04 0.00 -1.18 0.00 0.00 61.69 60.42 3i1z s THR 110 Cb -0.11 -0.39 -0.01 0.00 1.34 0.00 0.00 72.50 73.33 3i1z s THR 110 CO 0.08 -0.12 -0.05 -0.62 -0.54 0.00 0.00 174.62 173.37 3i1z s ASP 111 N -0.42 4.37 -0.28 3.99 -1.08 -1.26 -0.25 116.67 121.74 3i1z s ASP 111 Ca -0.05 -0.34 0.09 0.00 -0.52 0.00 0.00 52.55 51.73 3i1z s ASP 111 Cb -0.03 -1.74 0.46 0.00 -1.46 0.00 0.00 42.92 40.15 3i1z s ASP 111 CO 0.01 0.03 1.18 1.33 0.52 0.00 0.00 175.17 178.24 3i1z n VAL 112 N 4.47 2.33 -1.75 1.11 0.24 -0.43 -4.95 118.33 119.35 3i1z n VAL 112 Ca -0.18 -3.95 -0.43 0.00 -2.04 0.00 0.00 64.34 57.74 3i1z n VAL 112 Cb 0.51 -0.76 -0.03 0.00 -1.47 0.00 0.00 33.84 32.09 3i1z n VAL 112 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3i1z s THR 113 N -4.34 3.18 0.07 3.34 -4.23 -1.26 -4.76 115.64 107.65 3i1z s THR 113 Ca 0.47 0.20 -0.32 0.00 -1.18 0.00 0.00 61.69 60.86 3i1z s THR 113 Cb 0.40 -3.20 -0.11 0.00 1.34 0.00 0.00 72.50 70.93 3i1z s THR 113 CO 0.02 -0.09 1.83 -2.65 -0.54 0.00 0.00 174.62 173.19 3i1z n PRO 114 N 8.19 2.60 -3.88 3.99 -0.02 -1.26 -4.92 135.00 139.70 3i1z n PRO 114 Ca 0.24 0.95 -0.32 0.00 -2.02 0.00 0.00 63.50 62.35 3i1z n PRO 114 Cb 0.44 -2.82 -0.13 0.00 -0.02 0.00 0.00 33.50 30.97 3i1z n PRO 114 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i1z s ILE 115 N 3.01 2.94 0.31 4.25 -1.09 -1.26 -5.05 121.20 124.29 3i1z s ILE 115 Ca 0.85 -3.30 -0.29 0.00 -2.23 0.00 0.00 60.65 55.67 3i1z s ILE 115 Cb -0.54 -2.99 -0.12 0.00 -1.58 0.00 0.00 42.46 37.23 3i1z s ILE 115 CO 0.41 -0.84 1.42 -0.81 -1.23 0.00 0.00 174.94 173.90 3i1z n PRO 116 N 3.12 2.31 -0.48 2.79 -0.04 -1.26 -4.86 135.00 136.59 3i1z n PRO 116 Ca 0.07 0.82 -0.03 0.00 -0.04 0.00 0.00 63.50 64.32 3i1z n PRO 116 Cb 0.34 -2.49 0.01 0.00 -0.04 0.00 0.00 33.50 31.32 3i1z n PRO 116 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3i1z n HIS 117 N 1.23 0.27 -1.66 0.54 8.25 -1.26 -4.79 115.22 117.80 3i1z n HIS 117 Ca 0.07 -1.06 -0.00 0.00 -0.26 0.00 0.00 57.72 56.47 3i1z n HIS 117 Cb 0.35 -0.53 -0.00 0.00 1.12 0.00 0.00 29.99 30.93 3i1z n HIS 117 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3i1z n ASN 118 N 1.11 -2.54 0.15 0.41 5.03 -1.26 -5.09 115.26 113.07 3i1z n ASN 118 Ca 0.05 0.19 0.00 0.00 0.87 0.00 0.00 54.58 55.69 3i1z n ASN 118 Cb 0.53 -1.58 0.00 0.00 -1.02 0.00 0.00 39.78 37.71 3i1z n ASN 118 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i1z n GLY 119 N 0.13 -0.42 3.81 7.41 0.00 -1.26 -5.11 105.19 109.75 3i1z n GLY 119 Ca -0.02 0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3i1z n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1z s ARG 121 N -2.55 3.92 0.53 0.00 3.52 -1.26 -5.03 118.95 118.09 3i1z s ARG 121 Ca 0.53 0.85 -0.20 0.00 -0.13 0.00 0.00 55.73 56.78 3i1z s ARG 121 Cb -0.14 -3.81 -0.06 0.00 -1.56 0.00 0.00 34.95 29.39 3i1z s ARG 121 CO 0.19 -1.10 1.14 -1.25 -0.81 0.00 0.00 175.30 173.47 3i1z s PRO 122 N 3.98 3.39 0.80 5.12 0.04 -1.26 -5.01 135.00 142.06 3i1z s PRO 122 Ca 0.46 1.65 -0.12 0.00 0.04 0.00 0.00 61.00 63.04 3i1z s PRO 122 Cb -0.10 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.39 3i1z s PRO 122 CO 0.22 -0.83 -0.27 -0.35 0.04 0.00 0.00 177.00 175.81 3i1z n PRO 123 N -1.20 -0.77 -0.04 0.56 -0.04 -1.26 -5.01 135.00 127.25 3i1z n PRO 123 Ca 0.11 -0.22 -0.08 0.00 -0.04 0.00 0.00 63.50 63.27 3i1z n PRO 123 Cb 0.50 -1.18 -0.03 0.00 -0.04 0.00 0.00 33.50 32.76 3i1z n PRO 123 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3i1z n LYS 124 N 0.75 0.31 0.00 0.54 4.81 -1.26 -5.09 118.16 118.22 3i1z n LYS 124 Ca 0.01 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 3i1z n LYS 124 Cb 0.32 -1.04 0.00 0.00 0.02 0.00 0.00 35.03 34.32 3i1z n LYS 124 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 3i1z n LYS 125 N -3.99 -0.03 0.00 1.64 0.00 -1.26 -4.86 118.16 109.66 3i1z n LYS 125 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 3i1z n LYS 125 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.41 3i1z n LYS 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3i1z n ARG 126 N -1.01 0.00 -2.58 -1.58 5.12 -1.26 -5.05 116.66 110.30 3i1z n ARG 126 Ca 0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.49 3i1z n ARG 126 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3i1z n ARG 126 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3i1z n ARG 127 N -0.28 3.21 0.00 5.56 3.00 -1.26 -5.33 116.66 121.56 3i1z n ARG 127 Ca 0.00 -3.34 0.00 0.00 -0.00 0.00 0.00 57.85 54.51 3i1z n ARG 127 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 32.46 29.07 3i1z n ARG 127 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96