#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1z h LEU 10 N 0.00 1.02 -3.25 -1.84 -0.00 -1.87 -3.41 115.31 105.97 3i1z h LEU 10 Ca 0.00 -0.02 -0.31 0.00 -0.00 0.00 0.00 57.88 57.55 3i1z h LEU 10 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.42 3i1z h LEU 10 CO 0.00 0.72 -0.70 1.67 -0.00 0.00 0.00 178.44 180.13 3i1z n GLN 11 N -4.42 -1.46 -4.35 0.17 -0.06 -1.26 -3.99 117.38 102.01 3i1z n GLN 11 Ca 0.11 1.02 -0.26 0.00 -2.00 0.00 0.00 57.00 55.88 3i1z n GLN 11 Cb 0.06 -3.56 -0.13 0.00 -4.06 0.00 0.00 30.24 22.56 3i1z n GLN 11 CO 0.00 0.00 0.00 -1.83 -0.20 0.00 0.00 177.06 175.03 3i1z s GLU 12 N -4.27 1.23 -0.29 3.69 -1.05 -1.26 -3.62 118.70 113.13 3i1z s GLU 12 Ca 0.01 -1.20 -0.15 0.00 -0.15 0.00 0.00 54.97 53.47 3i1z s GLU 12 Cb -0.00 -1.56 0.12 0.00 -0.44 0.00 0.00 34.13 32.25 3i1z s GLU 12 CO 0.84 0.37 0.84 -1.59 0.95 0.00 0.00 175.26 176.67 3i1z s LYS 13 N -1.89 0.50 0.67 -4.83 -2.85 -1.17 -5.05 119.74 105.12 3i1z s LYS 13 Ca 0.09 0.95 -0.07 0.00 -1.00 0.00 0.00 55.97 55.94 3i1z s LYS 13 Cb -0.10 0.23 0.04 0.00 -2.06 0.00 0.00 37.83 35.95 3i1z s LYS 13 CO 0.05 -0.12 0.99 -0.48 0.10 0.00 0.00 175.35 175.89 3i1z s LEU 14 N 1.75 2.93 0.00 2.77 -0.00 -1.26 -2.71 118.68 122.16 3i1z s LEU 14 Ca -0.08 0.56 0.00 0.00 -0.00 0.00 0.00 54.13 54.61 3i1z s LEU 14 Cb -0.05 -3.26 0.00 0.00 -0.00 0.00 0.00 46.19 42.87 3i1z s LEU 14 CO -0.17 -1.44 0.00 -0.38 -0.00 0.00 0.00 176.35 174.35 3i1z n ILE 15 N -2.84 0.00 -3.79 1.48 -0.00 0.16 -4.87 119.36 109.49 3i1z n ILE 15 Ca 0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 62.75 62.69 3i1z n ILE 15 Cb 0.60 -0.89 -0.11 0.00 -0.00 0.00 0.00 39.64 39.24 3i1z n ILE 15 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3i1z s ALA 16 N -4.62 -0.62 0.04 -1.39 0.00 -1.22 -4.98 121.76 108.97 3i1z s ALA 16 Ca 0.00 0.49 0.08 0.00 0.00 0.00 0.00 51.96 52.53 3i1z s ALA 16 Cb 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 3i1z s ALA 16 CO 0.00 -0.17 -0.21 0.54 0.00 0.00 0.00 175.76 175.92 3i1z s VAL 17 N -0.44 1.73 -0.24 0.00 0.11 -1.26 -2.21 120.40 118.09 3i1z s VAL 17 Ca -0.06 -1.21 -0.26 0.00 -2.93 0.00 0.00 61.98 57.52 3i1z s VAL 17 Cb -0.04 -1.50 0.07 0.00 -1.53 0.00 0.00 36.38 33.39 3i1z s VAL 17 CO 0.01 0.24 0.71 0.21 -3.33 0.00 0.00 175.10 172.94 3i1z s ASN 18 N -1.16 -0.73 -0.02 3.54 3.84 -0.62 -4.95 114.94 114.84 3i1z s ASN 18 Ca 0.08 1.34 -0.18 0.00 0.21 0.00 0.00 52.86 54.30 3i1z s ASN 18 Cb -0.09 1.33 -0.05 0.00 -0.55 0.00 0.00 41.25 41.88 3i1z s ASN 18 CO 0.02 -0.30 0.51 -0.60 -2.79 0.00 0.00 177.10 173.94 3i1z s ARG 19 N 0.14 4.21 0.16 0.43 3.52 -1.22 -1.11 118.95 125.08 3i1z s ARG 19 Ca -0.02 0.58 0.10 0.00 -0.13 0.00 0.00 55.73 56.27 3i1z s ARG 19 Cb -0.04 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 29.99 3i1z s ARG 19 CO 0.02 0.44 -0.22 0.14 -0.81 0.00 0.00 175.30 174.86 3i1z s VAL 20 N -0.34 2.10 0.24 7.11 -7.23 0.31 -4.80 120.40 117.78 3i1z s VAL 20 Ca 0.28 -1.88 0.05 0.00 -1.81 0.00 0.00 61.98 58.62 3i1z s VAL 20 Cb -0.17 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 3i1z s VAL 20 CO 0.15 -0.13 0.31 -0.55 -0.31 0.00 0.00 175.10 174.57 3i1z s SER 21 N -2.45 6.11 0.10 4.85 0.15 -1.26 0.39 113.70 121.58 3i1z s SER 21 Ca 0.16 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.80 3i1z s SER 21 Cb -0.08 -1.74 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 3i1z s SER 21 CO 0.07 -0.06 0.00 1.17 1.20 0.00 0.00 173.24 175.63 3i1z n LYS 22 N -1.30 0.00 -1.91 5.44 4.81 -1.04 -4.97 118.16 119.18 3i1z n LYS 22 Ca -0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.35 3i1z n LYS 22 Cb 0.57 -0.41 0.00 0.00 0.02 0.00 0.00 35.03 35.21 3i1z n LYS 22 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3i1z n THR 23 N -3.33 -5.20 0.00 3.15 -1.04 -1.26 -4.94 114.28 101.66 3i1z n THR 23 Ca 0.00 0.51 0.00 0.00 -2.04 0.00 0.00 64.05 62.52 3i1z n THR 23 Cb 0.12 -5.00 0.00 0.00 -1.82 0.00 0.00 70.33 63.63 3i1z n THR 23 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3i1z n VAL 24 N 0.02 0.00 -0.06 12.58 0.24 -1.14 -4.98 118.33 124.99 3i1z n VAL 24 Ca 0.01 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.25 3i1z n VAL 24 Cb 0.05 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.34 3i1z n VAL 24 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3i1z n LYS 25 N 0.00 1.64 -2.09 7.34 5.02 -1.26 -4.71 118.16 124.10 3i1z n LYS 25 Ca 0.00 0.02 -0.35 0.00 -2.02 0.00 0.00 58.31 55.96 3i1z n LYS 25 Cb 0.00 -1.27 0.03 0.00 -0.02 0.00 0.00 35.03 33.77 3i1z n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1z n GLY 26 N 2.52 5.73 0.69 0.72 0.00 -1.26 -5.00 105.19 108.59 3i1z n GLY 26 Ca -0.19 -2.58 0.00 0.00 0.00 0.00 0.00 46.02 43.25 3i1z n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1z n GLY 27 N -0.54 1.02 3.56 -0.02 0.00 -1.26 -4.95 105.19 103.01 3i1z n GLY 27 Ca 0.49 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 3i1z n GLY 27 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i1z s ARG 28 N 0.00 0.76 -0.23 1.61 1.70 -1.26 -2.88 118.95 118.65 3i1z s ARG 28 Ca 0.00 0.93 -0.09 0.00 -0.47 0.00 0.00 55.73 56.10 3i1z s ARG 28 Cb 0.00 0.35 -0.05 0.00 -0.57 0.00 0.00 34.95 34.69 3i1z s ARG 28 CO 0.00 -0.10 0.13 -1.50 -1.08 0.00 0.00 175.30 172.75 3i1z s ILE 29 N 0.44 5.09 -0.10 4.99 1.10 -1.26 -4.84 121.20 126.62 3i1z s ILE 29 Ca -0.01 0.08 -0.03 0.00 -0.51 0.00 0.00 60.65 60.18 3i1z s ILE 29 Cb -0.05 -3.36 -0.04 0.00 0.15 0.00 0.00 42.46 39.17 3i1z s ILE 29 CO -0.01 0.37 0.04 -0.36 -2.11 0.00 0.00 174.94 172.87 3i1z s PHE 30 N 0.97 3.27 0.29 3.50 0.40 -1.26 -2.50 117.98 122.66 3i1z s PHE 30 Ca 0.06 0.27 0.02 0.00 -0.60 0.00 0.00 56.93 56.68 3i1z s PHE 30 Cb -0.13 -1.84 -0.05 0.00 0.51 0.00 0.00 43.02 41.51 3i1z s PHE 30 CO 0.03 0.52 0.10 -1.12 0.70 0.00 0.00 175.22 175.45 3i1z s SER 31 N -0.85 1.63 -0.14 1.36 0.01 0.16 -4.83 113.70 111.05 3i1z s SER 31 Ca 0.13 -1.43 -0.02 0.00 1.31 0.00 0.00 55.95 55.94 3i1z s SER 31 Cb -0.12 0.17 -0.02 0.00 0.21 0.00 0.00 66.02 66.26 3i1z s SER 31 CO 0.03 -0.74 -0.08 -0.36 0.41 0.00 0.00 173.24 172.49 3i1z s PHE 32 N -3.59 2.92 0.34 2.43 0.08 0.18 0.11 117.98 120.45 3i1z s PHE 32 Ca 0.36 -0.44 0.05 0.00 0.12 0.00 0.00 56.93 57.02 3i1z s PHE 32 Cb 0.07 -1.89 -0.07 0.00 -0.57 0.00 0.00 43.02 40.57 3i1z s PHE 32 CO 0.15 -0.09 0.04 0.95 -0.10 0.00 0.00 175.22 176.16 3i1z s THR 33 N 0.28 1.39 0.31 0.64 -4.23 -0.27 0.17 115.64 113.93 3i1z s THR 33 Ca -0.06 -2.01 -0.18 0.00 -1.18 0.00 0.00 61.69 58.25 3i1z s THR 33 Cb -0.15 -2.82 0.06 0.00 1.34 0.00 0.00 72.50 70.94 3i1z s THR 33 CO 0.04 -0.02 0.88 0.00 -0.54 0.00 0.00 174.62 174.98 3i1z s ALA 34 N -3.16 -1.08 -0.25 3.99 0.00 -1.23 -1.59 121.76 118.44 3i1z s ALA 34 Ca 0.36 -0.56 -0.06 0.00 0.00 0.00 0.00 51.96 51.69 3i1z s ALA 34 Cb 0.09 0.71 0.13 0.00 0.00 0.00 0.00 23.12 24.04 3i1z s ALA 34 CO 0.16 -1.02 0.51 -1.17 0.00 0.00 0.00 175.76 174.24 3i1z s LEU 35 N -3.17 -0.91 0.40 0.00 2.96 -0.94 -4.29 118.68 112.72 3i1z s LEU 35 Ca 0.17 1.00 0.08 0.00 -0.22 0.00 0.00 54.13 55.16 3i1z s LEU 35 Cb -0.04 1.72 -0.00 0.00 0.50 0.00 0.00 46.19 48.36 3i1z s LEU 35 CO 0.09 -0.25 0.49 0.42 -1.32 0.00 0.00 176.35 175.78 3i1z s THR 36 N 2.72 3.14 -0.18 3.68 -4.23 -1.13 0.36 115.64 120.00 3i1z s THR 36 Ca 0.04 -1.11 -0.05 0.00 -1.18 0.00 0.00 61.69 59.39 3i1z s THR 36 Cb -0.13 -3.08 0.07 0.00 1.34 0.00 0.00 72.50 70.70 3i1z s THR 36 CO -0.16 -0.04 0.13 -0.69 -0.54 0.00 0.00 174.62 173.32 3i1z s VAL 37 N -2.35 -0.17 0.31 2.29 1.01 -1.10 -2.95 120.40 117.44 3i1z s VAL 37 Ca 0.51 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.44 3i1z s VAL 37 Cb -0.08 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 3i1z s VAL 37 CO 0.31 -0.24 0.16 0.68 0.00 0.00 0.00 175.10 176.01 3i1z s VAL 38 N 2.20 3.47 0.00 2.92 -7.23 -0.62 -3.04 120.40 118.11 3i1z s VAL 38 Ca 0.04 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 3i1z s VAL 38 Cb -0.16 -3.08 0.00 0.00 0.56 0.00 0.00 36.38 33.71 3i1z s VAL 38 CO -0.10 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.06 3i1z n GLY 39 N -1.16 2.05 0.01 2.32 0.00 -1.24 -0.50 105.19 106.67 3i1z n GLY 39 Ca -0.04 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 45.83 3i1z n GLY 39 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i1z n ASP 40 N 0.00 0.05 0.00 1.61 5.75 -1.20 -4.27 116.55 118.50 3i1z n ASP 40 Ca 0.00 0.51 0.00 0.00 -0.01 0.00 0.00 54.79 55.29 3i1z n ASP 40 Cb 0.00 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.56 3i1z n ASP 40 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i1z n GLY 41 N -0.14 0.78 2.50 6.12 0.00 -0.87 -4.79 105.19 108.78 3i1z n GLY 41 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3i1z n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i1z n ASN 42 N 0.00 3.04 0.00 1.61 4.05 -1.26 -3.83 115.26 118.86 3i1z n ASN 42 Ca 0.00 -2.90 0.00 0.00 0.45 0.00 0.00 54.58 52.13 3i1z n ASN 42 Cb 0.00 -0.44 0.00 0.00 1.23 0.00 0.00 39.78 40.57 3i1z n ASN 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3i1z n GLY 43 N -0.54 3.01 3.55 8.20 0.00 -0.95 -4.86 105.19 113.59 3i1z n GLY 43 Ca 0.23 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 3i1z n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1z n ARG 44 N 0.00 1.22 -4.72 1.61 1.74 -1.26 -1.24 116.66 114.02 3i1z n ARG 44 Ca 0.00 0.18 -0.33 0.00 -0.77 0.00 0.00 57.85 56.93 3i1z n ARG 44 Cb 0.00 -3.11 -0.12 0.00 -1.02 0.00 0.00 32.46 28.21 3i1z n ARG 44 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3i1z s VAL 45 N 10.28 3.47 -0.22 1.55 1.01 0.04 -3.26 120.40 133.27 3i1z s VAL 45 Ca 1.03 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 62.42 3i1z s VAL 45 Cb -0.39 -2.40 0.12 0.00 0.00 0.00 0.00 36.38 33.70 3i1z s VAL 45 CO 0.33 0.59 0.32 -0.83 0.00 0.00 0.00 175.10 175.52 3i1z s GLY 46 N -0.72 -0.26 0.19 4.51 0.00 0.34 -0.07 107.32 111.31 3i1z s GLY 46 Ca 0.11 0.71 -0.01 0.00 0.00 0.00 0.00 44.72 45.54 3i1z s GLY 46 CO 0.01 2.45 0.37 -0.11 0.00 0.00 0.00 173.10 175.82 3i1z s PHE 47 N 2.47 3.48 -0.22 1.90 -0.71 -1.25 -1.58 117.98 122.06 3i1z s PHE 47 Ca 0.10 0.32 -0.10 0.00 -1.04 0.00 0.00 56.93 56.21 3i1z s PHE 47 Cb -0.15 -1.83 0.09 0.00 -1.21 0.00 0.00 43.02 39.91 3i1z s PHE 47 CO -0.14 0.41 0.51 0.20 -1.34 0.00 0.00 175.22 174.85 3i1z s GLY 48 N -3.11 -0.47 0.00 1.99 0.00 -1.15 -4.08 107.32 100.49 3i1z s GLY 48 Ca 0.38 1.83 0.00 0.00 0.00 0.00 0.00 44.72 46.93 3i1z s GLY 48 CO 0.29 2.37 0.00 2.98 0.00 0.00 0.00 173.10 178.73 3i1z n TYR 49 N 4.96 0.00 -1.30 1.90 4.19 -1.26 -2.84 117.16 122.81 3i1z n TYR 49 Ca -0.15 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.06 3i1z n TYR 49 Cb 0.52 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.35 3i1z n TYR 49 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3i1z n GLY 50 N 3.47 -4.53 3.59 2.98 0.00 -1.26 -3.38 105.19 106.06 3i1z n GLY 50 Ca 0.00 -0.60 -0.26 0.00 0.00 0.00 0.00 46.02 45.16 3i1z n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1z s LYS 51 N -2.73 1.95 0.04 1.61 -2.85 -1.26 -3.50 119.74 113.00 3i1z s LYS 51 Ca 0.00 -1.88 -0.02 0.00 -1.00 0.00 0.00 55.97 53.08 3i1z s LYS 51 Cb 0.00 -1.80 0.01 0.00 -2.06 0.00 0.00 37.83 33.98 3i1z s LYS 51 CO 0.00 0.11 0.08 0.00 0.10 0.00 0.00 175.35 175.64 3i1z n ALA 52 N -0.89 -0.19 0.12 0.59 0.00 0.45 -4.93 120.51 115.66 3i1z n ALA 52 Ca -0.04 -0.12 -0.24 0.00 0.00 0.00 0.00 53.44 53.03 3i1z n ALA 52 Cb 0.63 0.09 -0.16 0.00 0.00 0.00 0.00 19.45 20.02 3i1z n ALA 52 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i1z h ARG 53 N 0.00 0.48 -6.77 0.00 2.43 -1.89 0.51 114.38 109.15 3i1z h ARG 53 Ca -0.03 -0.83 -0.67 0.00 -0.81 0.00 0.00 59.98 57.64 3i1z h ARG 53 Cb 0.12 0.31 -0.20 0.00 -0.42 0.00 0.00 29.97 29.78 3i1z h ARG 53 CO 0.04 1.39 -0.84 -1.21 -1.51 0.00 0.00 179.97 177.85 3i1z s GLU 54 N -2.59 1.54 0.30 0.20 2.02 -1.26 -3.95 118.70 114.96 3i1z s GLU 54 Ca -0.12 -1.36 0.05 0.00 0.02 0.00 0.00 54.97 53.57 3i1z s GLU 54 Cb 0.05 -1.94 0.70 0.00 0.10 0.00 0.00 34.13 33.03 3i1z s GLU 54 CO 0.91 0.44 1.79 0.28 0.02 0.00 0.00 175.26 178.71 3i1z h VAL 55 N 3.57 0.76 0.00 2.63 2.07 -1.91 -1.23 116.25 122.14 3i1z h VAL 55 Ca -0.49 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3i1z h VAL 55 Cb 1.18 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3i1z h VAL 55 CO 0.44 0.15 0.00 -0.81 0.02 0.00 0.00 177.57 177.36 3i1z n PRO 56 N -4.73 0.00 0.00 1.57 -0.04 -1.26 -2.30 135.00 128.24 3i1z n PRO 56 Ca 0.22 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 3i1z n PRO 56 Cb 0.52 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 3i1z n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i1z n ALA 57 N -0.66 1.20 -1.05 0.55 0.00 -1.18 -1.32 120.51 118.05 3i1z n ALA 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1z n ALA 57 Cb 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3i1z n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1z n ALA 58 N -0.79 0.00 0.32 0.00 0.00 -0.47 -3.47 120.51 116.11 3i1z n ALA 58 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 3i1z n ALA 58 Cb 0.00 0.00 0.84 0.00 0.00 0.00 0.00 19.45 20.29 3i1z n ALA 58 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3i1z h ILE 59 N 0.00 0.00 0.21 0.00 6.09 -1.32 -1.13 117.51 121.36 3i1z h ILE 59 Ca 0.00 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.48 3i1z h ILE 59 Cb 0.00 0.68 0.00 0.00 0.47 0.00 0.00 36.82 37.97 3i1z h ILE 59 CO 0.00 0.00 -0.12 -0.61 -3.07 0.00 0.00 178.15 174.35 3i1z h GLN 60 N 0.00 -0.30 0.00 2.19 4.15 -1.40 -1.89 115.11 117.86 3i1z h GLN 60 Ca 0.00 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3i1z h GLN 60 Cb 0.56 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.32 3i1z h GLN 60 CO 0.00 -0.20 0.00 1.63 -1.93 0.00 0.00 178.83 178.33 3i1z n LYS 61 N -2.91 0.50 0.00 1.69 5.02 -0.52 0.21 118.16 122.14 3i1z n LYS 61 Ca -0.04 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.38 3i1z n LYS 61 Cb 0.12 -1.08 0.29 0.00 -0.02 0.00 0.00 35.03 34.34 3i1z n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1z n ALA 62 N -0.58 3.18 -0.13 7.82 0.00 -0.63 -4.06 120.51 126.11 3i1z n ALA 62 Ca 0.02 -0.47 -0.22 0.00 0.00 0.00 0.00 53.44 52.77 3i1z n ALA 62 Cb 0.01 -1.05 -0.11 0.00 0.00 0.00 0.00 19.45 18.30 3i1z n ALA 62 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3i1z n MET 63 N -0.45 0.63 0.24 0.00 2.81 0.13 -3.63 117.12 116.85 3i1z n MET 63 Ca 0.12 0.20 0.07 0.00 -1.81 0.00 0.00 57.70 56.28 3i1z n MET 63 Cb 0.38 -1.52 0.58 0.00 -0.71 0.00 0.00 33.22 31.96 3i1z n MET 63 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3i1z h GLU 64 N -0.36 0.00 0.00 0.03 4.22 -1.74 0.10 114.58 116.83 3i1z h GLU 64 Ca -0.62 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.82 3i1z h GLU 64 Cb 1.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.05 3i1z h GLU 64 CO -0.21 0.12 -0.26 1.63 -2.18 0.00 0.00 179.01 178.11 3i1z n LYS 65 N -4.29 0.16 0.07 1.92 4.76 -1.26 -3.70 118.16 115.82 3i1z n LYS 65 Ca -0.03 0.09 -0.23 0.00 -2.87 0.00 0.00 58.31 55.28 3i1z n LYS 65 Cb 0.19 -1.65 -0.15 0.00 -1.84 0.00 0.00 35.03 31.59 3i1z n LYS 65 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i1z h ALA 66 N 2.72 0.15 -0.13 7.82 0.00 -0.97 -3.23 119.26 125.62 3i1z h ALA 66 Ca 0.00 -1.14 0.03 0.00 0.00 0.00 0.00 54.91 53.80 3i1z h ALA 66 Cb 0.64 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 3i1z h ALA 66 CO 0.00 1.00 -0.53 0.00 0.00 0.00 0.00 179.25 179.72 3i1z h ARG 67 N 0.07 -0.55 0.00 0.00 2.47 -1.16 -3.34 114.38 111.87 3i1z h ARG 67 Ca -0.34 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 3i1z h ARG 67 Cb 2.07 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 30.51 3i1z h ARG 67 CO 0.17 -0.37 0.00 0.54 0.56 0.00 0.00 179.97 180.87 3i1z n ARG 68 N -5.35 -0.25 -1.55 0.04 5.12 -1.25 -3.98 116.66 109.45 3i1z n ARG 68 Ca -0.06 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.73 3i1z n ARG 68 Cb 0.37 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.62 3i1z n ARG 68 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3i1z n ASN 69 N -2.65 -3.56 -4.64 0.55 2.85 -1.26 -4.53 115.26 102.02 3i1z n ASN 69 Ca 0.00 0.30 -0.43 0.00 -0.11 0.00 0.00 54.58 54.34 3i1z n ASN 69 Cb 0.00 -3.27 -0.02 0.00 1.24 0.00 0.00 39.78 37.73 3i1z n ASN 69 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 3i1z s MET 70 N -3.41 4.11 -0.05 1.20 1.75 -1.26 -4.50 119.30 117.14 3i1z s MET 70 Ca 0.00 1.21 0.03 0.00 -1.25 0.00 0.00 55.69 55.68 3i1z s MET 70 Cb 0.00 -3.73 -0.03 0.00 2.84 0.00 0.00 34.83 33.91 3i1z s MET 70 CO 0.00 -0.84 -0.13 -1.50 -0.65 0.00 0.00 175.02 171.90 3i1z s ILE 71 N 3.60 3.18 -0.01 10.11 2.07 0.89 -4.87 121.20 136.18 3i1z s ILE 71 Ca 0.47 -0.69 -0.30 0.00 -1.41 0.00 0.00 60.65 58.72 3i1z s ILE 71 Cb -0.14 -2.26 -0.04 0.00 0.13 0.00 0.00 42.46 40.15 3i1z s ILE 71 CO 0.14 0.59 1.21 0.20 -1.91 0.00 0.00 174.94 175.17 3i1z s ASN 72 N -0.76 7.05 -0.24 4.50 0.02 -1.26 -0.78 114.94 123.46 3i1z s ASN 72 Ca 0.12 1.91 -0.23 0.00 -1.02 0.00 0.00 52.86 53.63 3i1z s ASN 72 Cb -0.11 -2.57 -0.01 0.00 0.02 0.00 0.00 41.25 38.59 3i1z s ASN 72 CO 0.01 -0.54 0.78 -0.69 0.02 0.00 0.00 177.10 176.67 3i1z s VAL 73 N 1.78 4.88 -0.87 1.60 1.01 -0.38 -4.76 120.40 123.65 3i1z s VAL 73 Ca 0.57 1.45 -0.25 0.00 0.00 0.00 0.00 61.98 63.76 3i1z s VAL 73 Cb -0.27 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 31.95 3i1z s VAL 73 CO 0.25 -0.05 2.15 0.00 0.00 0.00 0.00 175.10 177.46 3i1z s ALA 74 N 2.75 1.21 0.15 5.51 0.00 -1.26 -4.64 121.76 125.48 3i1z s ALA 74 Ca 0.33 -1.22 -0.09 0.00 0.00 0.00 0.00 51.96 50.98 3i1z s ALA 74 Cb -0.15 -4.57 -0.06 0.00 0.00 0.00 0.00 23.12 18.33 3i1z s ALA 74 CO 0.08 -5.37 0.45 -0.51 0.00 0.00 0.00 175.76 170.41 3i1z s LEU 75 N 12.36 4.26 -0.26 0.00 1.43 -1.26 -4.79 118.68 130.43 3i1z s LEU 75 Ca 0.80 0.80 -0.02 0.00 -1.03 0.00 0.00 54.13 54.67 3i1z s LEU 75 Cb -0.09 -3.33 0.11 0.00 0.03 0.00 0.00 46.19 42.91 3i1z s LEU 75 CO 0.04 0.05 0.23 0.21 0.23 0.00 0.00 176.35 177.11 3i1z s ASN 76 N -2.15 2.00 0.00 2.29 2.47 -1.21 -4.93 114.94 113.40 3i1z s ASN 76 Ca 0.40 -0.70 0.00 0.00 0.42 0.00 0.00 52.86 52.99 3i1z s ASN 76 Cb -0.13 0.26 0.00 0.00 -1.45 0.00 0.00 41.25 39.94 3i1z s ASN 76 CO 0.21 -0.38 0.00 -3.20 -3.72 0.00 0.00 177.10 170.01 3i1z n ASN 77 N 5.30 0.00 0.00 -4.21 4.05 -1.26 -4.28 115.26 114.86 3i1z n ASN 77 Ca -0.04 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.99 3i1z n ASN 77 Cb 0.46 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.47 3i1z n ASN 77 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3i1z n GLY 78 N 0.00 0.00 0.00 8.20 0.00 -1.26 -5.16 105.19 106.97 3i1z n GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i1z n GLY 78 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3i1z n THR 79 N 0.00 0.00 -2.66 2.61 5.66 -1.26 -3.26 114.28 115.37 3i1z n THR 79 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 3i1z n THR 79 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 3i1z n THR 79 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3i1z s LEU 80 N 0.00 4.17 0.01 1.09 2.01 -1.26 -3.36 118.68 121.34 3i1z s LEU 80 Ca 0.00 1.46 -0.15 0.00 0.01 0.00 0.00 54.13 55.46 3i1z s LEU 80 Cb 0.00 -3.55 -0.08 0.00 0.01 0.00 0.00 46.19 42.57 3i1z s LEU 80 CO 0.00 -0.58 0.98 1.56 1.01 0.00 0.00 176.35 179.32 3i1z h GLN 81 N 7.33 -0.51 -6.02 1.70 7.50 -1.87 -3.43 115.11 119.82 3i1z h GLN 81 Ca -0.24 0.03 -0.61 0.00 0.50 0.00 0.00 58.65 58.33 3i1z h GLN 81 Cb 1.10 0.12 -0.04 0.00 0.05 0.00 0.00 27.48 28.70 3i1z h GLN 81 CO 0.93 -0.34 -0.35 -3.38 -1.50 0.00 0.00 178.83 174.19 3i1z s HIS 82 N -3.74 3.55 0.13 2.96 -3.43 -1.26 -4.64 115.29 108.85 3i1z s HIS 82 Ca -0.08 0.58 -0.31 0.00 -0.80 0.00 0.00 55.06 54.45 3i1z s HIS 82 Cb 0.01 -2.01 -0.09 0.00 -1.43 0.00 0.00 32.58 29.06 3i1z s HIS 82 CO 0.23 0.54 1.59 -1.25 -2.00 0.00 0.00 174.74 173.85 3i1z s PRO 83 N -2.10 4.21 -0.08 -0.38 0.04 -1.26 -4.77 135.00 130.66 3i1z s PRO 83 Ca 0.33 2.34 -0.01 0.00 0.04 0.00 0.00 61.00 63.70 3i1z s PRO 83 Cb -0.13 -3.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.08 3i1z s PRO 83 CO 0.20 -0.64 -0.00 0.54 0.04 0.00 0.00 177.00 177.14 3i1z s VAL 84 N 1.61 4.26 0.14 -0.36 0.11 -1.26 -4.95 120.40 119.95 3i1z s VAL 84 Ca 0.71 -0.30 0.09 0.00 -2.93 0.00 0.00 61.98 59.56 3i1z s VAL 84 Cb -0.42 -2.80 -0.04 0.00 -1.53 0.00 0.00 36.38 31.59 3i1z s VAL 84 CO 0.31 0.58 -0.16 -0.75 -3.33 0.00 0.00 175.10 171.76 3i1z s LYS 85 N -0.95 1.86 -0.02 1.54 2.20 -1.26 -1.36 119.74 121.75 3i1z s LYS 85 Ca 0.14 -1.22 -0.28 0.00 -0.36 0.00 0.00 55.97 54.24 3i1z s LYS 85 Cb -0.11 -2.12 0.10 0.00 -1.51 0.00 0.00 37.83 34.19 3i1z s LYS 85 CO 0.03 0.46 0.84 0.20 -0.36 0.00 0.00 175.35 176.52 3i1z s GLY 86 N -2.38 -0.46 0.02 5.54 0.00 -1.13 -4.76 107.32 104.14 3i1z s GLY 86 Ca 0.20 1.18 0.00 0.00 0.00 0.00 0.00 44.72 46.11 3i1z s GLY 86 CO 0.12 0.53 -0.03 -1.34 0.00 0.00 0.00 173.10 172.38 3i1z s VAL 87 N -2.56 0.13 -0.26 1.40 -7.23 -1.26 -0.60 120.40 110.03 3i1z s VAL 87 Ca 0.01 -0.80 -0.07 0.00 -1.81 0.00 0.00 61.98 59.31 3i1z s VAL 87 Cb -0.01 -0.25 0.12 0.00 0.56 0.00 0.00 36.38 36.80 3i1z s VAL 87 CO -0.05 -0.42 0.53 -2.28 -0.31 0.00 0.00 175.10 172.56 3i1z s HIS 88 N -1.26 -1.12 0.00 2.82 2.46 -0.18 -4.83 115.29 113.18 3i1z s HIS 88 Ca -0.13 1.79 0.00 0.00 0.47 0.00 0.00 55.06 57.19 3i1z s HIS 88 Cb -0.09 0.50 0.00 0.00 -0.13 0.00 0.00 32.58 32.87 3i1z s HIS 88 CO -0.01 -0.63 0.00 2.41 -2.47 0.00 0.00 174.74 174.04 3i1z n THR 89 N 5.42 0.00 0.25 0.89 -1.04 -1.26 -0.73 114.28 117.80 3i1z n THR 89 Ca -0.08 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.97 3i1z n THR 89 Cb 0.50 0.00 0.19 0.00 -1.82 0.00 0.00 70.33 69.20 3i1z n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1z n GLY 90 N 0.00 1.87 3.61 3.41 0.00 -1.26 -4.91 105.19 107.90 3i1z n GLY 90 Ca 0.00 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 3i1z n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i1z s SER 91 N -0.53 5.37 -0.54 1.61 0.01 0.09 0.31 113.70 120.02 3i1z s SER 91 Ca 0.26 0.04 0.04 0.00 1.31 0.00 0.00 55.95 57.60 3i1z s SER 91 Cb 0.19 -1.87 0.39 0.00 0.21 0.00 0.00 66.02 64.95 3i1z s SER 91 CO 0.10 0.20 1.24 0.54 0.41 0.00 0.00 173.24 175.73 3i1z n ARG 92 N 3.34 3.37 -0.86 12.44 5.12 0.11 -1.01 116.66 139.18 3i1z n ARG 92 Ca -0.17 -4.43 -0.33 0.00 -1.93 0.00 0.00 57.85 50.98 3i1z n ARG 92 Cb 0.52 -2.26 0.11 0.00 -1.16 0.00 0.00 32.46 29.68 3i1z n ARG 92 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3i1z n VAL 93 N -0.44 0.21 -3.65 1.55 0.31 0.23 -3.14 118.33 113.41 3i1z n VAL 93 Ca 0.40 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 3i1z n VAL 93 Cb 0.54 -0.61 -0.06 0.00 -0.91 0.00 0.00 33.84 32.80 3i1z n VAL 93 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3i1z s PHE 94 N -2.32 -0.16 0.54 3.52 2.19 -1.26 -2.86 117.98 117.62 3i1z s PHE 94 Ca 0.57 0.33 0.05 0.00 0.33 0.00 0.00 56.93 58.22 3i1z s PHE 94 Cb -0.23 0.17 0.03 0.00 -1.31 0.00 0.00 43.02 41.68 3i1z s PHE 94 CO 0.67 -0.08 0.35 0.00 1.83 0.00 0.00 175.22 177.99 3i1z s MET 95 N 0.91 2.25 -0.01 10.12 0.23 -0.46 -3.07 119.30 129.27 3i1z s MET 95 Ca -0.06 -2.06 -0.06 0.00 -1.03 0.00 0.00 55.69 52.48 3i1z s MET 95 Cb -0.03 -2.03 0.00 0.00 -1.53 0.00 0.00 34.83 31.25 3i1z s MET 95 CO -0.11 -0.57 0.12 -0.65 -2.03 0.00 0.00 175.02 171.78 3i1z s GLN 96 N -4.22 0.37 0.00 3.16 -1.52 0.57 -4.12 119.66 113.90 3i1z s GLN 96 Ca 0.31 -0.23 0.00 0.00 -1.95 0.00 0.00 55.36 53.48 3i1z s GLN 96 Cb -0.02 0.15 0.00 0.00 -0.22 0.00 0.00 33.01 32.93 3i1z s GLN 96 CO 0.19 -0.08 0.00 -0.35 -0.25 0.00 0.00 175.29 174.80 3i1z n PRO 97 N 1.95 0.00 -1.36 2.91 -0.04 -1.26 -1.95 135.00 135.25 3i1z n PRO 97 Ca -0.20 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.43 3i1z n PRO 97 Cb 0.57 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.94 3i1z n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i1z n ALA 98 N -3.00 -3.56 -1.92 0.55 0.00 -1.26 -3.02 120.51 108.29 3i1z n ALA 98 Ca 0.00 0.80 -0.19 0.00 0.00 0.00 0.00 53.44 54.06 3i1z n ALA 98 Cb 0.00 -1.44 0.16 0.00 0.00 0.00 0.00 19.45 18.17 3i1z n ALA 98 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i1z n SER 99 N -4.21 0.27 -4.71 0.00 3.41 -1.26 -3.90 113.62 103.22 3i1z n SER 99 Ca -0.07 -1.51 -0.38 0.00 -0.26 0.00 0.00 58.87 56.65 3i1z n SER 99 Cb 0.64 -0.81 -0.06 0.00 -0.26 0.00 0.00 64.21 63.72 3i1z n SER 99 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3i1z s GLU 100 N -5.34 4.34 -0.16 4.33 4.04 -1.20 -4.57 118.70 120.13 3i1z s GLU 100 Ca 0.63 0.51 0.09 0.00 0.04 0.00 0.00 54.97 56.24 3i1z s GLU 100 Cb -0.02 -3.46 -0.16 0.00 0.02 0.00 0.00 34.13 30.51 3i1z s GLU 100 CO 0.44 0.10 -0.03 0.41 -1.84 0.00 0.00 175.26 174.34 3i1z n GLY 101 N 3.32 -0.57 0.00 -3.83 0.00 -1.26 -4.74 105.19 98.12 3i1z n GLY 101 Ca -0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 46.02 45.75 3i1z n GLY 101 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i1z n THR 102 N -2.74 0.05 0.00 2.61 -1.04 -1.26 -5.12 114.28 106.78 3i1z n THR 102 Ca -0.28 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 3i1z n THR 102 Cb 0.94 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 3i1z n THR 102 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1z n GLY 103 N 3.20 1.44 3.74 3.41 0.00 -1.26 -4.92 105.19 110.80 3i1z n GLY 103 Ca -0.01 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 3i1z n GLY 103 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3i1z n ILE 104 N 1.29 -3.94 -2.59 -0.61 3.06 -1.26 -4.85 119.36 110.46 3i1z n ILE 104 Ca 0.00 -0.06 -0.43 0.00 -2.50 0.00 0.00 62.75 59.76 3i1z n ILE 104 Cb 0.00 -3.27 -0.02 0.00 0.54 0.00 0.00 39.64 36.89 3i1z n ILE 104 CO 0.00 0.00 0.00 0.27 -2.50 0.00 0.00 176.55 174.32 3i1z s ILE 105 N -3.02 4.23 0.02 9.51 -4.36 -1.24 -4.97 121.20 121.38 3i1z s ILE 105 Ca 0.02 1.29 -0.28 0.00 -0.26 0.00 0.00 60.65 61.42 3i1z s ILE 105 Cb -0.01 -4.55 0.10 0.00 1.25 0.00 0.00 42.46 39.24 3i1z s ILE 105 CO 0.89 -0.91 0.95 0.00 0.24 0.00 0.00 174.94 176.11 3i1z s ALA 106 N 4.39 -1.82 0.00 2.27 0.00 -1.26 -4.47 121.76 120.87 3i1z s ALA 106 Ca 0.48 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.26 3i1z s ALA 106 Cb -0.08 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.47 3i1z s ALA 106 CO 0.29 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.67 3i1z n GLY 107 N -0.30 2.25 3.73 0.00 0.00 -1.26 -4.91 105.19 104.69 3i1z n GLY 107 Ca -0.07 -1.78 -0.62 0.00 0.00 0.00 0.00 46.02 43.54 3i1z n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1z n GLY 108 N 5.00 0.56 7.00 -0.02 0.00 -1.26 -4.45 105.19 112.02 3i1z n GLY 108 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 46.02 46.98 3i1z n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1z n ALA 109 N 4.73 0.00 -1.28 4.61 0.00 -1.26 -4.79 120.51 122.52 3i1z n ALA 109 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 3i1z n ALA 109 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 3i1z n ALA 109 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3i1z n MET 110 N 5.85 -0.90 0.00 0.00 2.00 -1.26 -3.69 117.12 119.12 3i1z n MET 110 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3i1z n MET 110 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 3i1z n MET 110 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 3i1z n ARG 111 N -0.41 0.00 -0.10 0.03 0.63 -1.26 -4.70 116.66 110.85 3i1z n ARG 111 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 3i1z n ARG 111 Cb 0.00 -0.06 -0.04 0.00 0.45 0.00 0.00 32.46 32.81 3i1z n ARG 111 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i1z n ALA 112 N 0.00 0.85 0.24 5.13 0.00 -1.24 -3.32 120.51 122.17 3i1z n ALA 112 Ca 0.00 -0.78 0.08 0.00 0.00 0.00 0.00 53.44 52.74 3i1z n ALA 112 Cb 0.11 0.01 0.58 0.00 0.00 0.00 0.00 19.45 20.16 3i1z n ALA 112 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3i1z h VAL 113 N -1.00 0.92 0.04 0.00 -1.51 -1.88 -1.10 116.25 111.72 3i1z h VAL 113 Ca -0.15 -0.62 -0.00 0.00 -1.23 0.00 0.00 66.70 64.69 3i1z h VAL 113 Cb 1.04 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 3i1z h VAL 113 CO -0.09 0.17 -0.02 -0.07 -1.23 0.00 0.00 177.57 176.32 3i1z h LEU 114 N 0.00 -0.05 -1.69 4.19 4.07 -1.85 0.09 115.31 120.07 3i1z h LEU 114 Ca -0.00 -0.26 0.20 0.00 0.08 0.00 0.00 57.88 57.89 3i1z h LEU 114 Cb 0.34 0.01 -0.05 0.00 1.08 0.00 0.00 40.66 42.05 3i1z h LEU 114 CO 0.02 0.57 0.56 -0.08 -1.08 0.00 0.00 178.44 178.43 3i1z h GLU 115 N -1.00 0.26 0.08 1.13 4.22 -1.54 -0.47 114.58 117.26 3i1z h GLU 115 Ca -0.01 -0.02 -0.28 0.00 0.08 0.00 0.00 59.36 59.14 3i1z h GLU 115 Cb 0.31 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3i1z h GLU 115 CO 0.01 0.17 -1.41 -0.39 -2.18 0.00 0.00 179.01 175.21 3i1z h VAL 116 N 0.27 1.27 0.00 0.32 -1.51 -1.30 -3.18 116.25 112.12 3i1z h VAL 116 Ca 0.41 -2.94 0.00 0.00 -1.23 0.00 0.00 66.70 62.94 3i1z h VAL 116 Cb 1.20 2.76 0.00 0.00 -2.13 0.00 0.00 31.29 33.12 3i1z h VAL 116 CO -0.11 0.82 0.00 0.00 -1.23 0.00 0.00 177.57 177.05 3i1z n ALA 117 N -2.58 1.53 0.00 5.19 0.00 0.02 -2.06 120.51 122.61 3i1z n ALA 117 Ca -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3i1z n ALA 117 Cb 1.02 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 19.34 3i1z n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1z n GLY 118 N -0.61 2.74 3.65 0.00 0.00 -0.72 -2.24 105.19 108.00 3i1z n GLY 118 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3i1z n GLY 118 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i1z s VAL 119 N -2.50 3.69 -0.31 1.61 -7.23 -1.05 -4.61 120.40 110.01 3i1z s VAL 119 Ca 0.00 0.82 -0.02 0.00 -1.81 0.00 0.00 61.98 60.97 3i1z s VAL 119 Cb 0.00 -3.61 0.12 0.00 0.56 0.00 0.00 36.38 33.45 3i1z s VAL 119 CO 0.00 -0.16 0.19 -1.00 -0.31 0.00 0.00 175.10 173.82 3i1z s HIS 120 N 4.50 0.23 0.00 2.82 0.09 -1.20 -4.09 115.29 117.64 3i1z s HIS 120 Ca 0.71 -0.92 0.00 0.00 -0.00 0.00 0.00 55.06 54.85 3i1z s HIS 120 Cb -0.29 -0.79 0.00 0.00 -0.00 0.00 0.00 32.58 31.50 3i1z s HIS 120 CO 0.28 -0.86 0.00 0.27 -0.00 0.00 0.00 174.74 174.43 3i1z n ASN 121 N 4.93 0.00 -4.80 1.40 2.04 -1.26 -4.78 115.26 112.79 3i1z n ASN 121 Ca -0.00 0.00 -0.32 0.00 -0.44 0.00 0.00 54.58 53.82 3i1z n ASN 121 Cb 0.42 0.00 0.05 0.00 -2.53 0.00 0.00 39.78 37.71 3i1z n ASN 121 CO 0.00 0.00 0.00 0.68 -0.44 0.00 0.00 177.26 177.50 3i1z s VAL 122 N 0.00 3.72 0.60 3.53 -7.23 -1.25 -3.23 120.40 116.54 3i1z s VAL 122 Ca 0.00 0.67 0.02 0.00 -1.81 0.00 0.00 61.98 60.86 3i1z s VAL 122 Cb 0.00 -3.26 0.12 0.00 0.56 0.00 0.00 36.38 33.80 3i1z s VAL 122 CO 0.00 -0.62 0.83 0.18 -0.31 0.00 0.00 175.10 175.18 3i1z n LEU 123 N -2.76 0.00 0.00 1.32 4.32 -0.82 -3.71 117.00 115.34 3i1z n LEU 123 Ca 0.09 -1.97 0.00 0.00 -0.02 0.00 0.00 56.01 54.11 3i1z n LEU 123 Cb 0.53 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 3i1z n LEU 123 CO 0.51 -0.86 0.00 0.00 -1.22 0.00 0.00 177.39 175.83 3i1z n ALA 124 N -2.77 0.00 -3.64 -1.18 0.00 -1.26 -0.31 120.51 111.35 3i1z n ALA 124 Ca -0.14 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.23 3i1z n ALA 124 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 3i1z n ALA 124 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3i1z s LYS 125 N -2.00 0.59 0.32 0.00 2.20 -1.17 -4.96 119.74 114.72 3i1z s LYS 125 Ca 0.00 0.92 -0.04 0.00 -0.36 0.00 0.00 55.97 56.50 3i1z s LYS 125 Cb 0.00 0.17 -0.05 0.00 -1.51 0.00 0.00 37.83 36.44 3i1z s LYS 125 CO 0.00 -0.11 0.57 0.00 -0.36 0.00 0.00 175.35 175.45 3i1z s ALA 126 N 1.17 3.62 0.10 3.13 0.00 -1.26 -4.32 121.76 124.19 3i1z s ALA 126 Ca -0.06 -0.62 0.05 0.00 0.00 0.00 0.00 51.96 51.32 3i1z s ALA 126 Cb -0.05 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 3i1z s ALA 126 CO -0.14 0.15 -0.12 0.71 0.00 0.00 0.00 175.76 176.36 3i1z s TYR 127 N -2.18 1.18 0.00 0.00 1.51 -1.19 -4.98 117.35 111.70 3i1z s TYR 127 Ca 0.43 -0.57 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 3i1z s TYR 127 Cb -0.10 -0.64 0.00 0.00 -0.11 0.00 0.00 41.96 41.10 3i1z s TYR 127 CO 0.32 0.05 0.00 0.41 -1.11 0.00 0.00 175.55 175.23 3i1z n GLY 128 N 0.78 0.93 3.56 0.71 0.00 -1.26 0.09 105.19 110.00 3i1z n GLY 128 Ca -0.17 -1.43 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 3i1z n GLY 128 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i1z s SER 129 N -4.00 5.67 0.49 1.61 0.15 0.91 -4.84 113.70 113.69 3i1z s SER 129 Ca 0.00 0.24 0.15 0.00 0.70 0.00 0.00 55.95 57.04 3i1z s SER 129 Cb 0.00 -2.54 1.16 0.00 -1.71 0.00 0.00 66.02 62.93 3i1z s SER 129 CO 0.00 -2.08 2.09 0.00 1.20 0.00 0.00 173.24 174.45 3i1z h THR 130 N 6.61 1.05 -0.03 6.45 1.03 -1.86 -3.36 112.91 122.80 3i1z h THR 130 Ca -0.27 -0.23 -0.02 0.00 -0.01 0.00 0.00 66.41 65.88 3i1z h THR 130 Cb 1.13 1.10 0.00 0.00 -1.07 0.00 0.00 68.15 69.31 3i1z h THR 130 CO 1.21 0.07 0.01 -3.20 -0.01 0.00 0.00 175.52 173.59 3i1z n ASN 131 N -4.46 0.01 0.00 0.00 2.85 -1.26 -4.19 115.26 108.21 3i1z n ASN 131 Ca -0.03 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 3i1z n ASN 131 Cb 0.14 -0.03 0.00 0.00 1.24 0.00 0.00 39.78 41.14 3i1z n ASN 131 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3i1z n PRO 132 N 0.07 0.00 0.07 1.20 -0.04 -1.26 -1.48 135.00 133.55 3i1z n PRO 132 Ca 0.01 0.57 0.03 0.00 -0.04 0.00 0.00 63.50 64.07 3i1z n PRO 132 Cb 0.00 -0.99 0.15 0.00 -0.04 0.00 0.00 33.50 32.62 3i1z n PRO 132 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3i1z n ILE 133 N -1.65 1.00 -0.07 0.52 -0.00 -1.26 -0.49 119.36 117.41 3i1z n ILE 133 Ca 0.00 0.60 -0.09 0.00 -0.00 0.00 0.00 62.75 63.26 3i1z n ILE 133 Cb 0.00 -1.60 -0.07 0.00 -0.00 0.00 0.00 39.64 37.97 3i1z n ILE 133 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 3i1z n ASN 134 N -1.62 2.76 -0.25 4.38 3.02 -1.05 -4.52 115.26 117.99 3i1z n ASN 134 Ca -0.00 -0.06 -0.07 0.00 -0.03 0.00 0.00 54.58 54.42 3i1z n ASN 134 Cb 0.23 0.02 0.06 0.00 -0.61 0.00 0.00 39.78 39.49 3i1z n ASN 134 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 3i1z h VAL 135 N 0.00 1.26 -2.69 2.41 3.04 0.35 -2.86 116.25 117.76 3i1z h VAL 135 Ca -0.31 -0.97 -0.77 0.00 -1.01 0.00 0.00 66.70 63.65 3i1z h VAL 135 Cb 1.53 0.54 -0.31 0.00 -2.01 0.00 0.00 31.29 31.04 3i1z h VAL 135 CO -0.03 0.37 0.53 0.55 -1.01 0.00 0.00 177.57 177.98 3i1z n VAL 136 N -4.23 4.85 -0.29 1.51 3.14 -0.84 -3.94 118.33 118.54 3i1z n VAL 136 Ca 0.05 -5.82 0.00 0.00 -2.96 0.00 0.00 64.34 55.62 3i1z n VAL 136 Cb 0.26 -2.00 0.00 0.00 -1.06 0.00 0.00 33.84 31.04 3i1z n VAL 136 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 3i1z n ARG 137 N 1.03 0.00 0.00 1.45 0.63 -1.14 -4.85 116.66 113.78 3i1z n ARG 137 Ca 0.29 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 57.31 3i1z n ARG 137 Cb 0.34 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.26 3i1z n ARG 137 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i1z n ALA 138 N 0.00 3.13 0.05 5.13 0.00 -1.09 -2.86 120.51 124.86 3i1z n ALA 138 Ca 0.00 -0.57 -0.22 0.00 0.00 0.00 0.00 53.44 52.65 3i1z n ALA 138 Cb 0.00 -0.60 -0.14 0.00 0.00 0.00 0.00 19.45 18.70 3i1z n ALA 138 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3i1z h THR 139 N 2.11 0.83 0.01 0.00 1.35 -1.85 -0.23 112.91 115.14 3i1z h THR 139 Ca 0.00 -2.44 -0.00 0.00 -0.55 0.00 0.00 66.41 63.42 3i1z h THR 139 Cb 0.60 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 3i1z h THR 139 CO 0.00 0.86 -0.01 0.40 -0.25 0.00 0.00 175.52 176.53 3i1z h ILE 140 N 0.06 1.33 0.00 6.82 5.03 -1.90 0.05 117.51 128.90 3i1z h ILE 140 Ca -0.37 -1.02 0.00 0.00 -0.12 0.00 0.00 64.86 63.35 3i1z h ILE 140 Cb 2.05 2.02 0.00 0.00 -3.03 0.00 0.00 36.82 37.86 3i1z h ILE 140 CO 0.14 0.26 0.00 -0.67 -0.68 0.00 0.00 178.15 177.20 3i1z n ASP 141 N -4.89 0.32 -1.75 1.72 -0.08 -1.14 -0.93 116.55 109.81 3i1z n ASP 141 Ca -0.08 0.58 -0.16 0.00 -1.51 0.00 0.00 54.79 53.62 3i1z n ASP 141 Cb 0.23 -0.65 0.17 0.00 2.34 0.00 0.00 41.12 43.21 3i1z n ASP 141 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i1z n GLY 142 N -0.10 4.94 0.00 0.27 0.00 -0.10 -4.07 105.19 106.13 3i1z n GLY 142 Ca 0.03 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.68 3i1z n GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1z n LEU 143 N -1.09 0.00 0.12 0.99 4.77 -0.06 -4.65 117.00 117.08 3i1z n LEU 143 Ca 0.47 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.46 3i1z n LEU 143 Cb 1.24 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.33 3i1z n LEU 143 CO 0.43 0.00 0.39 -0.08 -1.33 0.00 0.00 177.39 176.79 3i1z h GLU 144 N 0.00 0.00 0.00 3.23 4.22 -1.19 -3.24 114.58 117.59 3i1z h GLU 144 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3i1z h GLU 144 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3i1z h GLU 144 CO 0.00 0.57 -0.23 -2.95 -2.18 0.00 0.00 179.01 174.22 3i1z h ASN 145 N 0.00 0.00 -2.70 1.04 -1.07 -1.83 -3.46 115.58 107.56 3i1z h ASN 145 Ca -0.01 -0.02 -0.53 0.00 0.07 0.00 0.00 56.30 55.80 3i1z h ASN 145 Cb 1.46 0.00 0.03 0.00 -2.07 0.00 0.00 38.32 37.73 3i1z h ASN 145 CO 0.07 0.01 0.99 -0.32 0.07 0.00 0.00 177.43 178.25 3i1z s MET 146 N -3.21 4.19 0.28 4.14 1.75 -1.22 -5.01 119.30 120.23 3i1z s MET 146 Ca 0.07 2.36 0.04 0.00 -1.25 0.00 0.00 55.69 56.90 3i1z s MET 146 Cb 0.08 -3.52 -0.03 0.00 2.84 0.00 0.00 34.83 34.20 3i1z s MET 146 CO 0.68 -0.72 0.42 0.54 -0.65 0.00 0.00 175.02 175.29 3i1z s ASN 147 N 2.22 6.27 -0.17 1.11 2.20 -1.26 -4.54 114.94 120.77 3i1z s ASN 147 Ca 0.74 0.14 -0.29 0.00 -0.94 0.00 0.00 52.86 52.50 3i1z s ASN 147 Cb -0.41 -1.83 -0.00 0.00 -2.00 0.00 0.00 41.25 37.01 3i1z s ASN 147 CO 0.32 -0.17 1.05 -0.44 -2.94 0.00 0.00 177.10 174.92 3i1z s SER 148 N -4.02 7.14 0.29 3.54 0.01 -1.26 -4.92 113.70 114.47 3i1z s SER 148 Ca 0.37 1.48 0.16 0.00 1.31 0.00 0.00 55.95 59.26 3i1z s SER 148 Cb -0.09 -2.55 0.08 0.00 0.21 0.00 0.00 66.02 63.67 3i1z s SER 148 CO 0.31 -0.59 1.44 1.55 0.41 0.00 0.00 173.24 176.36 3i1z h PRO 149 N 7.38 0.00 0.00 12.44 0.13 -1.93 -3.04 132.00 146.99 3i1z h PRO 149 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3i1z h PRO 149 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3i1z h PRO 149 CO 0.93 0.46 -0.57 -0.85 -0.23 0.00 0.00 178.00 177.74 3i1z n GLU 150 N -3.21 0.16 -0.09 0.86 0.28 -1.26 -3.54 120.64 113.84 3i1z n GLU 150 Ca 0.02 0.04 0.05 0.00 -0.16 0.00 0.00 57.16 57.11 3i1z n GLU 150 Cb 0.72 -1.60 0.09 0.00 1.43 0.00 0.00 31.44 32.09 3i1z n GLU 150 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 3i1z n MET 151 N -1.82 2.41 0.29 3.44 2.81 -1.25 -4.82 117.12 118.18 3i1z n MET 151 Ca 0.04 -2.07 0.04 0.00 -1.81 0.00 0.00 57.70 53.90 3i1z n MET 151 Cb 0.39 -1.29 0.19 0.00 -0.71 0.00 0.00 33.22 31.81 3i1z n MET 151 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 3i1z h VAL 152 N 0.45 0.00 0.00 2.03 -1.51 -1.57 -2.64 116.25 113.00 3i1z h VAL 152 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3i1z h VAL 152 Cb 0.79 0.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.11 3i1z h VAL 152 CO 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.36 3i1z n ALA 153 N -1.54 1.68 0.03 5.19 0.00 -1.26 -2.51 120.51 122.11 3i1z n ALA 153 Ca -0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 3i1z n ALA 153 Cb 0.79 -1.19 -0.09 0.00 0.00 0.00 0.00 19.45 18.96 3i1z n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1z h ALA 154 N 2.53 -0.16 -0.20 0.00 0.00 -1.89 -3.28 119.26 116.27 3i1z h ALA 154 Ca 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 3i1z h ALA 154 Cb 0.12 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3i1z h ALA 154 CO 0.00 -0.29 -0.48 1.57 0.00 0.00 0.00 179.25 180.05 3i1z h LYS 155 N -0.75 0.52 -7.52 0.00 5.09 -1.83 -3.43 116.57 108.64 3i1z h LYS 155 Ca -0.02 -0.29 -0.48 0.00 0.09 0.00 0.00 60.65 59.95 3i1z h LYS 155 Cb 0.55 0.02 0.09 0.00 0.10 0.00 0.00 32.23 32.99 3i1z h LYS 155 CO 0.03 0.88 0.39 1.03 -2.09 0.00 0.00 179.45 179.69 3i1z s ARG 156 N -4.10 2.37 0.00 0.07 0.52 -1.04 -3.87 118.95 112.89 3i1z s ARG 156 Ca -0.07 0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.36 3i1z s ARG 156 Cb 0.12 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.58 3i1z s ARG 156 CO 0.83 -1.32 0.00 0.41 0.02 0.00 0.00 175.30 175.24 3i1z n GLY 157 N -3.14 1.23 0.13 -3.53 0.00 -1.26 -4.79 105.19 93.83 3i1z n GLY 157 Ca 0.07 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.02 3i1z n GLY 157 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90