#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1m h LEU 10 N 0.00 0.36 -2.94 -1.84 -0.00 -1.88 -3.41 115.31 105.59 3i1m h LEU 10 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 3i1m h LEU 10 Cb 0.00 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 40.55 3i1m h LEU 10 CO 0.00 0.31 -0.80 1.67 -0.00 0.00 0.00 178.44 179.62 3i1m n GLN 11 N -4.84 -1.61 -3.80 0.17 -0.06 -1.26 -3.62 117.38 102.35 3i1m n GLN 11 Ca -0.02 1.56 -0.14 0.00 -2.00 0.00 0.00 57.00 56.41 3i1m n GLN 11 Cb 0.06 -2.19 -0.15 0.00 -4.06 0.00 0.00 30.24 23.90 3i1m n GLN 11 CO 0.00 0.00 0.00 -1.83 -0.20 0.00 0.00 177.06 175.03 3i1m s GLU 12 N -0.81 0.01 0.02 3.69 -1.05 -1.26 -1.85 118.70 117.45 3i1m s GLU 12 Ca -0.03 0.17 0.01 0.00 -0.15 0.00 0.00 54.97 54.97 3i1m s GLU 12 Cb 0.00 -0.14 -0.01 0.00 -0.44 0.00 0.00 34.13 33.54 3i1m s GLU 12 CO 0.23 -0.11 -0.03 -1.59 0.95 0.00 0.00 175.26 174.71 3i1m s LYS 13 N 0.71 0.28 -0.25 -4.83 -2.85 -0.54 -5.01 119.74 107.26 3i1m s LYS 13 Ca -0.06 -0.41 -0.10 0.00 -1.00 0.00 0.00 55.97 54.41 3i1m s LYS 13 Cb -0.08 -0.08 -0.05 0.00 -2.06 0.00 0.00 37.83 35.56 3i1m s LYS 13 CO -0.02 0.01 0.15 -0.48 0.10 0.00 0.00 175.35 175.11 3i1m s LEU 14 N -0.88 4.02 0.03 2.77 -0.00 -1.26 -1.77 118.68 121.59 3i1m s LEU 14 Ca -0.08 0.05 -0.29 0.00 -0.00 0.00 0.00 54.13 53.82 3i1m s LEU 14 Cb -0.06 -2.08 -0.17 0.00 -0.00 0.00 0.00 46.19 43.88 3i1m s LEU 14 CO -0.00 0.03 1.28 0.40 -0.00 0.00 0.00 176.35 178.06 3i1m h ILE 15 N 5.14 0.22 -2.01 1.48 5.03 -0.76 -3.47 117.51 123.14 3i1m h ILE 15 Ca -0.37 -0.28 -0.04 0.00 -0.12 0.00 0.00 64.86 64.05 3i1m h ILE 15 Cb 1.18 0.29 -0.21 0.00 -3.03 0.00 0.00 36.82 35.05 3i1m h ILE 15 CO 0.62 0.03 0.13 0.00 -0.68 0.00 0.00 178.15 178.25 3i1m s ALA 16 N -5.24 -1.77 0.29 1.87 0.00 -1.17 -4.91 121.76 110.83 3i1m s ALA 16 Ca -0.15 1.96 0.06 0.00 0.00 0.00 0.00 51.96 53.83 3i1m s ALA 16 Cb 0.02 -1.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.03 3i1m s ALA 16 CO 0.50 -0.34 0.37 0.54 0.00 0.00 0.00 175.76 176.83 3i1m s VAL 17 N 0.26 4.41 0.07 0.00 0.11 -1.26 -0.61 120.40 123.38 3i1m s VAL 17 Ca -0.01 -1.11 -0.26 0.00 -2.93 0.00 0.00 61.98 57.67 3i1m s VAL 17 Cb -0.05 -3.51 0.08 0.00 -1.53 0.00 0.00 36.38 31.37 3i1m s VAL 17 CO 0.02 -0.24 0.71 0.21 -3.33 0.00 0.00 175.10 172.47 3i1m s ASN 18 N -4.04 -0.51 -0.13 3.54 3.84 0.14 -4.94 114.94 112.84 3i1m s ASN 18 Ca 0.39 0.09 0.02 0.00 0.21 0.00 0.00 52.86 53.57 3i1m s ASN 18 Cb -0.09 0.51 -0.00 0.00 -0.55 0.00 0.00 41.25 41.13 3i1m s ASN 18 CO 0.29 -0.80 -0.18 -0.60 -2.79 0.00 0.00 177.10 173.02 3i1m s ARG 19 N -3.17 3.17 0.19 0.43 3.52 -1.26 0.77 118.95 122.60 3i1m s ARG 19 Ca 0.01 -0.79 0.09 0.00 -0.13 0.00 0.00 55.73 54.91 3i1m s ARG 19 Cb -0.01 -2.50 -0.04 0.00 -1.56 0.00 0.00 34.95 30.83 3i1m s ARG 19 CO -0.09 0.09 -0.11 0.14 -0.81 0.00 0.00 175.30 174.52 3i1m s VAL 20 N 0.60 3.06 0.16 7.11 -7.23 -1.11 -4.97 120.40 118.02 3i1m s VAL 20 Ca -0.10 -1.75 0.09 0.00 -1.81 0.00 0.00 61.98 58.40 3i1m s VAL 20 Cb -0.16 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 3i1m s VAL 20 CO 0.03 -0.14 -0.14 -0.55 -0.31 0.00 0.00 175.10 173.99 3i1m s SER 21 N -2.89 4.03 -0.00 4.85 0.15 -1.26 -1.21 113.70 117.37 3i1m s SER 21 Ca 0.25 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.30 3i1m s SER 21 Cb -0.08 -0.61 -0.00 0.00 -1.71 0.00 0.00 66.02 63.62 3i1m s SER 21 CO 0.15 0.14 -0.00 1.17 1.20 0.00 0.00 173.24 175.89 3i1m n LYS 22 N 0.37 1.59 -1.73 5.44 4.81 -0.78 -4.95 118.16 122.90 3i1m n LYS 22 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 3i1m n LYS 22 Cb 0.54 -1.01 0.00 0.00 0.02 0.00 0.00 35.03 34.59 3i1m n LYS 22 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3i1m n THR 23 N -2.31-10.38 -4.06 3.15 -1.04 -1.26 -4.82 114.28 93.56 3i1m n THR 23 Ca -0.01 2.43 -0.11 0.00 -2.04 0.00 0.00 64.05 64.33 3i1m n THR 23 Cb 0.51 -4.78 -0.06 0.00 -1.82 0.00 0.00 70.33 64.18 3i1m n THR 23 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3i1m s VAL 24 N -0.39 0.00 0.15 12.58 -7.23 0.34 -4.89 120.40 120.97 3i1m s VAL 24 Ca 0.00 -1.56 -0.22 0.00 -1.81 0.00 0.00 61.98 58.39 3i1m s VAL 24 Cb 0.00 -2.40 0.02 0.00 0.56 0.00 0.00 36.38 34.55 3i1m s VAL 24 CO 0.00 0.00 1.27 0.29 -0.31 0.00 0.00 175.10 176.35 3i1m n LYS 25 N -0.42 -0.31 -1.63 4.82 5.02 -1.26 -0.88 118.16 123.49 3i1m n LYS 25 Ca -0.00 1.25 -0.32 0.00 -2.02 0.00 0.00 58.31 57.22 3i1m n LYS 25 Cb 0.62 -1.85 -0.04 0.00 -0.02 0.00 0.00 35.03 33.74 3i1m n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1m n GLY 26 N -1.26 4.56 1.27 0.72 0.00 -1.26 -4.96 105.19 104.26 3i1m n GLY 26 Ca 0.04 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.22 3i1m n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1m n GLY 27 N 1.76 -2.28 3.90 -0.02 0.00 -0.06 -4.94 105.19 103.55 3i1m n GLY 27 Ca 0.58 -1.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 3i1m n GLY 27 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i1m s ARG 28 N -0.24 3.51 -0.16 1.61 1.70 -1.26 0.13 118.95 124.24 3i1m s ARG 28 Ca 0.00 -0.22 0.01 0.00 -0.47 0.00 0.00 55.73 55.05 3i1m s ARG 28 Cb 0.00 -3.06 0.01 0.00 -0.57 0.00 0.00 34.95 31.33 3i1m s ARG 28 CO 0.00 0.64 -0.18 -1.50 -1.08 0.00 0.00 175.30 173.18 3i1m s ILE 29 N -1.37 2.41 0.30 4.99 1.10 -1.26 -4.74 121.20 122.62 3i1m s ILE 29 Ca 0.30 -0.85 -0.17 0.00 -0.51 0.00 0.00 60.65 59.42 3i1m s ILE 29 Cb -0.13 -2.00 -0.09 0.00 0.15 0.00 0.00 42.46 40.39 3i1m s ILE 29 CO 0.20 0.53 0.74 -0.36 -2.11 0.00 0.00 174.94 173.94 3i1m s PHE 30 N 0.92 3.45 0.13 3.50 0.40 -1.26 -1.87 117.98 123.26 3i1m s PHE 30 Ca -0.04 1.29 0.01 0.00 -0.60 0.00 0.00 56.93 57.59 3i1m s PHE 30 Cb -0.15 -2.58 -0.00 0.00 0.51 0.00 0.00 43.02 40.80 3i1m s PHE 30 CO -0.03 0.15 0.03 0.43 0.70 0.00 0.00 175.22 176.51 3i1m n SER 31 N -0.07 1.40 -4.19 1.36 7.64 -0.35 -4.83 113.62 114.59 3i1m n SER 31 Ca 0.02 -1.67 -0.15 0.00 1.01 0.00 0.00 58.87 58.08 3i1m n SER 31 Cb 0.53 0.26 -0.11 0.00 -1.01 0.00 0.00 64.21 63.88 3i1m n SER 31 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3i1m s PHE 32 N -1.89 1.13 0.10 1.43 0.08 -0.28 -2.74 117.98 115.80 3i1m s PHE 32 Ca 0.05 -0.65 0.08 0.00 0.12 0.00 0.00 56.93 56.53 3i1m s PHE 32 Cb 0.00 -0.61 -0.03 0.00 -0.57 0.00 0.00 43.02 41.81 3i1m s PHE 32 CO 0.03 0.03 -0.19 0.95 -0.10 0.00 0.00 175.22 175.94 3i1m s THR 33 N -2.46 1.61 -0.06 0.64 -4.23 0.23 -2.25 115.64 109.13 3i1m s THR 33 Ca 0.07 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 3i1m s THR 33 Cb -0.03 -1.50 0.02 0.00 1.34 0.00 0.00 72.50 72.34 3i1m s THR 33 CO 0.00 -0.11 -0.03 0.00 -0.54 0.00 0.00 174.62 173.94 3i1m s ALA 34 N -1.26 0.71 -0.23 3.99 0.00 -1.12 -0.69 121.76 123.17 3i1m s ALA 34 Ca 0.06 -0.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.84 3i1m s ALA 34 Cb -0.10 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 3i1m s ALA 34 CO 0.04 -0.17 0.06 -1.17 0.00 0.00 0.00 175.76 174.52 3i1m s LEU 35 N 1.27 3.51 0.15 0.00 2.96 0.22 -4.12 118.68 122.68 3i1m s LEU 35 Ca -0.05 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 3i1m s LEU 35 Cb -0.14 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 3i1m s LEU 35 CO -0.02 0.03 -0.03 0.42 -1.32 0.00 0.00 176.35 175.43 3i1m s THR 36 N 1.26 0.76 -0.02 3.68 -4.23 -0.48 0.01 115.64 116.62 3i1m s THR 36 Ca 0.05 -1.98 -0.02 0.00 -1.18 0.00 0.00 61.69 58.55 3i1m s THR 36 Cb -0.15 -1.99 0.01 0.00 1.34 0.00 0.00 72.50 71.72 3i1m s THR 36 CO 0.03 -0.60 0.06 -0.69 -0.54 0.00 0.00 174.62 172.88 3i1m s VAL 37 N -3.59 -0.00 0.09 2.29 1.01 -0.73 -1.24 120.40 118.23 3i1m s VAL 37 Ca 0.20 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.23 3i1m s VAL 37 Cb 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.30 3i1m s VAL 37 CO 0.02 0.00 -0.11 0.68 0.00 0.00 0.00 175.10 175.69 3i1m s VAL 38 N 0.09 0.96 -0.21 2.92 -7.23 -0.65 -1.46 120.40 114.81 3i1m s VAL 38 Ca -0.00 -1.56 -0.29 0.00 -1.81 0.00 0.00 61.98 58.32 3i1m s VAL 38 Cb -0.01 -1.28 0.14 0.00 0.56 0.00 0.00 36.38 35.79 3i1m s VAL 38 CO -0.00 -0.49 1.09 -0.83 -0.31 0.00 0.00 175.10 174.55 3i1m s GLY 39 N -2.29 -0.15 0.50 2.32 0.00 -0.77 -1.17 107.32 105.75 3i1m s GLY 39 Ca 0.04 2.38 0.28 0.00 0.00 0.00 0.00 44.72 47.41 3i1m s GLY 39 CO 0.01 1.27 1.97 1.29 0.00 0.00 0.00 173.10 177.63 3i1m h ASP 40 N 2.86 0.00 0.00 1.64 2.03 -1.58 -3.38 116.42 118.00 3i1m h ASP 40 Ca -0.19 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.11 3i1m h ASP 40 Cb 1.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 3i1m h ASP 40 CO 0.25 0.15 0.00 0.61 -1.03 0.00 0.00 179.24 179.21 3i1m n GLY 41 N -0.25 0.51 2.37 7.15 0.00 -0.84 -4.83 105.19 109.29 3i1m n GLY 41 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 3i1m n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i1m n ASN 42 N 0.00 -0.77 0.00 1.61 4.05 -1.25 -4.21 115.26 114.69 3i1m n ASN 42 Ca 0.00 -2.78 0.00 0.00 0.45 0.00 0.00 54.58 52.25 3i1m n ASN 42 Cb 0.00 0.01 0.00 0.00 1.23 0.00 0.00 39.78 41.02 3i1m n ASN 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3i1m n GLY 43 N 1.78 1.03 0.00 8.20 0.00 -0.55 -4.97 105.19 110.68 3i1m n GLY 43 Ca 0.20 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3i1m n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1m n ARG 44 N 4.20 0.00 -4.09 1.61 1.74 -1.24 -4.50 116.66 114.37 3i1m n ARG 44 Ca 0.00 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.90 3i1m n ARG 44 Cb 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.28 3i1m n ARG 44 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3i1m s VAL 45 N 0.00 0.39 0.09 1.55 1.01 -0.29 -2.28 120.40 120.86 3i1m s VAL 45 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 61.95 3i1m s VAL 45 Cb 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 3i1m s VAL 45 CO 0.00 0.17 -0.13 -0.83 0.00 0.00 0.00 175.10 174.31 3i1m s GLY 46 N 0.67 0.93 0.05 4.51 0.00 -0.32 -0.31 107.32 112.85 3i1m s GLY 46 Ca -0.08 -1.12 0.06 0.00 0.00 0.00 0.00 44.72 43.57 3i1m s GLY 46 CO -0.00 -1.17 -0.16 -0.11 0.00 0.00 0.00 173.10 171.66 3i1m s PHE 47 N -1.74 1.37 0.09 1.90 -0.71 -1.25 -1.64 117.98 115.99 3i1m s PHE 47 Ca 0.03 -0.38 0.03 0.00 -1.04 0.00 0.00 56.93 55.57 3i1m s PHE 47 Cb -0.07 -0.80 -0.04 0.00 -1.21 0.00 0.00 43.02 40.90 3i1m s PHE 47 CO 0.02 0.06 -0.08 0.20 -1.34 0.00 0.00 175.22 174.08 3i1m s GLY 48 N -1.28 0.75 0.00 1.99 0.00 -0.37 -4.32 107.32 104.09 3i1m s GLY 48 Ca 0.02 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.60 3i1m s GLY 48 CO 0.02 -1.23 0.00 2.98 0.00 0.00 0.00 173.10 174.87 3i1m n TYR 49 N 0.57 0.00 -1.04 1.90 -0.00 -1.26 -1.38 117.16 115.95 3i1m n TYR 49 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.74 3i1m n TYR 49 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.92 3i1m n TYR 49 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3i1m n GLY 50 N 4.48 -4.17 3.24 2.98 0.00 -1.26 -4.13 105.19 106.34 3i1m n GLY 50 Ca 0.00 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 3i1m n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1m s LYS 51 N -3.82 1.09 -0.23 1.61 -2.85 -1.26 -2.79 119.74 111.49 3i1m s LYS 51 Ca 0.00 -1.51 -0.36 0.00 -1.00 0.00 0.00 55.97 53.10 3i1m s LYS 51 Cb 0.00 -0.37 0.15 0.00 -2.06 0.00 0.00 37.83 35.54 3i1m s LYS 51 CO 0.00 -0.07 1.27 0.00 0.10 0.00 0.00 175.35 176.66 3i1m s ALA 52 N -3.56 -2.12 0.22 0.59 0.00 -0.95 -4.86 121.76 111.07 3i1m s ALA 52 Ca 0.21 1.72 -0.08 0.00 0.00 0.00 0.00 51.96 53.81 3i1m s ALA 52 Cb 0.05 -0.24 0.28 0.00 0.00 0.00 0.00 23.12 23.21 3i1m s ALA 52 CO 0.03 -0.57 1.81 -0.09 0.00 0.00 0.00 175.76 176.93 3i1m h ARG 53 N 2.00 0.68 -6.14 0.00 2.43 -1.88 -0.73 114.38 110.74 3i1m h ARG 53 Ca -0.06 -0.04 -0.53 0.00 -0.81 0.00 0.00 59.98 58.53 3i1m h ARG 53 Cb 1.15 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 3i1m h ARG 53 CO 0.21 0.45 -0.40 -1.21 -1.51 0.00 0.00 179.97 177.51 3i1m s GLU 54 N -6.08 3.47 0.01 0.20 2.02 -1.26 -4.31 118.70 112.75 3i1m s GLU 54 Ca -0.13 -0.49 -0.21 0.00 0.02 0.00 0.00 54.97 54.16 3i1m s GLU 54 Cb 0.17 -2.90 -0.19 0.00 0.10 0.00 0.00 34.13 31.31 3i1m s GLU 54 CO 0.76 0.45 1.19 0.28 0.02 0.00 0.00 175.26 177.97 3i1m h VAL 55 N 1.54 1.42 -0.31 2.63 2.07 -1.96 -2.25 116.25 119.40 3i1m h VAL 55 Ca -0.48 -1.72 0.03 0.00 0.82 0.00 0.00 66.70 65.34 3i1m h VAL 55 Cb 1.20 2.31 -0.03 0.00 -1.52 0.00 0.00 31.29 33.25 3i1m h VAL 55 CO 0.68 0.49 0.14 1.55 0.02 0.00 0.00 177.57 180.45 3i1m h PRO 56 N -0.15 0.28 -0.80 1.57 0.13 -1.97 -0.50 132.00 130.57 3i1m h PRO 56 Ca -0.02 -0.02 0.17 0.00 -0.87 0.00 0.00 66.00 65.26 3i1m h PRO 56 Cb 0.96 -0.06 -0.05 0.00 0.13 0.00 0.00 31.00 31.98 3i1m h PRO 56 CO 0.07 0.19 0.54 0.00 -0.23 0.00 0.00 178.00 178.56 3i1m h ALA 57 N 1.17 2.17 0.34 -0.56 0.00 -1.95 -1.61 119.26 118.82 3i1m h ALA 57 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3i1m h ALA 57 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3i1m h ALA 57 CO -0.11 -0.40 -0.16 0.00 0.00 0.00 0.00 179.25 178.58 3i1m h ALA 58 N 1.63 -0.45 -0.75 0.00 0.00 -0.58 -2.66 119.26 116.44 3i1m h ALA 58 Ca 0.40 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.37 3i1m h ALA 58 Cb 0.98 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 3i1m h ALA 58 CO -0.13 -0.43 0.51 -0.84 0.00 0.00 0.00 179.25 178.37 3i1m h ILE 59 N -1.11 0.73 0.23 0.00 -0.00 -0.91 -0.03 117.51 116.42 3i1m h ILE 59 Ca -0.05 -0.09 -0.01 0.00 -0.00 0.00 0.00 64.86 64.71 3i1m h ILE 59 Cb 0.38 0.43 0.00 0.00 -0.00 0.00 0.00 36.82 37.63 3i1m h ILE 59 CO 0.08 0.05 -0.11 -0.61 -0.00 0.00 0.00 178.15 177.56 3i1m h GLN 60 N 0.27 -0.29 -1.08 0.16 4.15 -1.38 0.10 115.11 117.04 3i1m h GLN 60 Ca 0.37 0.02 0.31 0.00 0.77 0.00 0.00 58.65 60.12 3i1m h GLN 60 Cb 1.06 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.77 3i1m h GLN 60 CO -0.09 -0.20 1.02 -0.22 -1.93 0.00 0.00 178.83 177.41 3i1m h LYS 61 N -0.71 0.00 0.16 1.69 3.64 -1.20 0.22 116.57 120.37 3i1m h LYS 61 Ca -0.03 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3i1m h LYS 61 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3i1m h LYS 61 CO 0.05 0.00 -0.08 0.00 -2.27 0.00 0.00 179.45 177.16 3i1m h ALA 62 N 0.97 -0.21 -0.59 5.00 0.00 -0.77 -2.93 119.26 120.73 3i1m h ALA 62 Ca 0.51 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 55.32 3i1m h ALA 62 Cb 2.55 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 20.32 3i1m h ALA 62 CO -0.01 -0.28 -0.04 0.52 0.00 0.00 0.00 179.25 179.44 3i1m h MET 63 N -0.88 0.08 0.06 0.00 2.86 0.15 -1.17 114.93 116.02 3i1m h MET 63 Ca -0.02 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.64 3i1m h MET 63 Cb 0.52 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.11 3i1m h MET 63 CO 0.04 0.05 -0.34 1.49 1.06 0.00 0.00 176.91 179.21 3i1m h GLU 64 N 0.08 -0.51 -1.08 1.72 4.22 -1.50 -0.91 114.58 116.61 3i1m h GLU 64 Ca 0.30 0.04 0.42 0.00 0.08 0.00 0.00 59.36 60.19 3i1m h GLU 64 Cb 0.47 0.12 -0.17 0.00 0.50 0.00 0.00 28.75 29.68 3i1m h GLU 64 CO -0.53 -0.34 0.62 0.87 -2.18 0.00 0.00 179.01 177.45 3i1m h LYS 65 N -0.53 0.05 0.00 1.92 1.79 -1.03 0.41 116.57 119.18 3i1m h LYS 65 Ca 0.04 -0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.46 3i1m h LYS 65 Cb 0.59 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 3i1m h LYS 65 CO -0.24 0.03 -0.53 0.00 -1.08 0.00 0.00 179.45 177.63 3i1m h ALA 66 N 1.89 0.76 -0.01 3.86 0.00 -0.79 -3.06 119.26 121.91 3i1m h ALA 66 Ca 0.84 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.51 3i1m h ALA 66 Cb 2.28 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 20.08 3i1m h ALA 66 CO -0.68 0.27 -0.09 0.00 0.00 0.00 0.00 179.25 178.75 3i1m h ARG 67 N 0.00 0.02 0.00 0.00 2.47 0.53 -3.37 114.38 114.03 3i1m h ARG 67 Ca -0.02 -0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.60 3i1m h ARG 67 Cb 1.17 -0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.49 3i1m h ARG 67 CO 0.02 0.11 -0.01 0.54 0.56 0.00 0.00 179.97 181.19 3i1m n ARG 68 N -4.42 0.85 -2.04 0.04 5.12 -1.14 -4.50 116.66 110.57 3i1m n ARG 68 Ca -0.03 -0.59 -0.11 0.00 -1.93 0.00 0.00 57.85 55.19 3i1m n ARG 68 Cb 0.17 -0.06 -0.02 0.00 -1.16 0.00 0.00 32.46 31.39 3i1m n ARG 68 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3i1m n ASN 69 N -2.89 -3.43 -4.63 0.55 2.85 -1.25 -4.64 115.26 101.82 3i1m n ASN 69 Ca 0.03 0.24 -0.39 0.00 -0.11 0.00 0.00 54.58 54.36 3i1m n ASN 69 Cb 0.12 -3.05 -0.09 0.00 1.24 0.00 0.00 39.78 38.00 3i1m n ASN 69 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 3i1m s MET 70 N -4.27 4.06 0.45 1.20 1.75 -1.26 -3.95 119.30 117.27 3i1m s MET 70 Ca 0.00 0.05 0.08 0.00 -1.25 0.00 0.00 55.69 54.57 3i1m s MET 70 Cb 0.00 -3.62 0.00 0.00 2.84 0.00 0.00 34.83 34.06 3i1m s MET 70 CO 0.00 -0.19 0.47 -1.50 -0.65 0.00 0.00 175.02 173.15 3i1m s ILE 71 N 1.79 2.60 -0.14 10.11 2.07 0.58 -4.84 121.20 133.38 3i1m s ILE 71 Ca 0.15 -1.23 -0.04 0.00 -1.41 0.00 0.00 60.65 58.12 3i1m s ILE 71 Cb -0.15 -2.83 -0.03 0.00 0.13 0.00 0.00 42.46 39.57 3i1m s ILE 71 CO 0.09 0.00 -0.01 0.20 -1.91 0.00 0.00 174.94 173.31 3i1m s ASN 72 N -4.26 5.04 -0.17 4.50 0.02 -1.26 -1.14 114.94 117.68 3i1m s ASN 72 Ca 0.50 -0.01 -0.05 0.00 -1.02 0.00 0.00 52.86 52.28 3i1m s ASN 72 Cb -0.05 -1.69 -0.03 0.00 0.02 0.00 0.00 41.25 39.50 3i1m s ASN 72 CO 0.30 0.24 -0.00 -0.69 0.02 0.00 0.00 177.10 176.96 3i1m s VAL 73 N -0.05 4.20 -0.60 1.60 1.01 -1.26 -4.55 120.40 120.75 3i1m s VAL 73 Ca 0.03 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 3i1m s VAL 73 Cb -0.13 -2.86 -0.10 0.00 0.00 0.00 0.00 36.38 33.28 3i1m s VAL 73 CO 0.02 0.48 3.13 0.00 0.00 0.00 0.00 175.10 178.73 3i1m n ALA 74 N 3.58 6.70 -1.51 5.51 0.00 -1.26 -4.60 120.51 128.92 3i1m n ALA 74 Ca -0.17 -2.75 -0.42 0.00 0.00 0.00 0.00 53.44 50.10 3i1m n ALA 74 Cb 0.52 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.43 3i1m n ALA 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i1m n LEU 75 N 2.22 0.87 -4.42 0.00 4.77 -1.26 -4.76 117.00 114.42 3i1m n LEU 75 Ca 0.54 1.00 -0.32 0.00 -0.03 0.00 0.00 56.01 57.19 3i1m n LEU 75 Cb 0.61 -1.19 -0.14 0.00 -2.33 0.00 0.00 43.42 40.37 3i1m n LEU 75 CO 0.39 -2.30 -0.49 0.21 -1.33 0.00 0.00 177.39 173.87 3i1m s ASN 76 N -0.84 3.75 0.57 -1.43 2.47 -0.29 -4.92 114.94 114.23 3i1m s ASN 76 Ca 0.63 -0.29 0.00 0.00 0.42 0.00 0.00 52.86 53.62 3i1m s ASN 76 Cb -0.63 -0.81 0.00 0.00 -1.45 0.00 0.00 41.25 38.36 3i1m s ASN 76 CO 0.58 0.32 0.00 -3.20 -3.72 0.00 0.00 177.10 171.07 3i1m n ASN 77 N 2.49 0.00 -0.89 -4.21 4.05 -1.26 -0.22 115.26 115.22 3i1m n ASN 77 Ca -0.17 0.00 -0.01 0.00 0.45 0.00 0.00 54.58 54.85 3i1m n ASN 77 Cb 0.52 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.52 3i1m n ASN 77 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3i1m n GLY 78 N 0.00 0.75 3.64 8.20 0.00 -1.26 -5.13 105.19 111.39 3i1m n GLY 78 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 3i1m n GLY 78 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i1m s THR 79 N 0.00 0.00 0.95 2.61 -1.32 0.70 -1.80 115.64 116.78 3i1m s THR 79 Ca 0.09 -1.32 -0.11 0.00 -1.21 0.00 0.00 61.69 59.13 3i1m s THR 79 Cb 0.10 -2.68 0.16 0.00 -1.51 0.00 0.00 72.50 68.58 3i1m s THR 79 CO -0.05 0.00 1.09 -0.76 -2.21 0.00 0.00 174.62 172.70 3i1m s LEU 80 N -3.14 2.16 -0.11 9.08 2.01 -1.26 -1.14 118.68 126.27 3i1m s LEU 80 Ca 0.23 1.73 -0.13 0.00 0.01 0.00 0.00 54.13 55.97 3i1m s LEU 80 Cb -0.03 -4.04 -0.04 0.00 0.01 0.00 0.00 46.19 42.09 3i1m s LEU 80 CO 0.15 -3.09 -0.26 0.00 1.01 0.00 0.00 176.35 174.16 3i1m n GLN 81 N -4.20 0.39 -4.17 1.70 3.00 -1.26 -4.73 117.38 108.10 3i1m n GLN 81 Ca 0.08 0.15 -0.22 0.00 -0.01 0.00 0.00 57.00 57.00 3i1m n GLN 81 Cb 0.54 -1.18 -0.05 0.00 0.00 0.00 0.00 30.24 29.55 3i1m n GLN 81 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.06 173.68 3i1m s HIS 82 N -2.64 2.96 0.27 1.08 -3.43 -1.26 -4.80 115.29 107.47 3i1m s HIS 82 Ca -0.21 -0.15 -0.29 0.00 -0.80 0.00 0.00 55.06 53.60 3i1m s HIS 82 Cb 0.03 -1.34 -0.09 0.00 -1.43 0.00 0.00 32.58 29.75 3i1m s HIS 82 CO 0.32 0.55 1.02 -1.25 -2.00 0.00 0.00 174.74 173.37 3i1m s PRO 83 N -3.79 4.72 -0.01 -0.38 0.04 -1.26 -4.64 135.00 129.68 3i1m s PRO 83 Ca 0.32 1.62 0.02 0.00 0.04 0.00 0.00 61.00 63.01 3i1m s PRO 83 Cb -0.07 -3.18 -0.00 0.00 0.04 0.00 0.00 34.50 31.28 3i1m s PRO 83 CO 0.23 0.34 -0.07 0.54 0.04 0.00 0.00 177.00 178.08 3i1m s VAL 84 N -1.22 0.58 0.22 -0.36 0.11 -0.88 -5.02 120.40 113.83 3i1m s VAL 84 Ca 0.44 -0.30 0.05 0.00 -2.93 0.00 0.00 61.98 59.24 3i1m s VAL 84 Cb -0.28 -0.50 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 3i1m s VAL 84 CO 0.35 0.17 0.26 -0.75 -3.33 0.00 0.00 175.10 171.80 3i1m s LYS 85 N -0.08 3.18 -0.10 1.54 2.20 -1.26 -2.47 119.74 122.74 3i1m s LYS 85 Ca 0.02 -0.86 -0.18 0.00 -0.36 0.00 0.00 55.97 54.59 3i1m s LYS 85 Cb -0.04 -2.75 0.04 0.00 -1.51 0.00 0.00 37.83 33.57 3i1m s LYS 85 CO -0.00 0.44 0.44 0.20 -0.36 0.00 0.00 175.35 176.07 3i1m s GLY 86 N -3.70 -0.32 0.31 5.54 0.00 -0.89 -4.76 107.32 103.50 3i1m s GLY 86 Ca 0.33 0.98 0.03 0.00 0.00 0.00 0.00 44.72 46.06 3i1m s GLY 86 CO 0.27 0.77 0.10 -1.34 0.00 0.00 0.00 173.10 172.89 3i1m s VAL 87 N -0.48 0.72 0.00 1.40 -7.23 -1.26 0.12 120.40 113.67 3i1m s VAL 87 Ca -0.06 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.11 3i1m s VAL 87 Cb -0.03 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 34.28 3i1m s VAL 87 CO 0.03 0.00 0.00 1.57 -0.31 0.00 0.00 175.10 176.39 3i1m n HIS 88 N -0.61 0.00 0.00 2.82 -0.00 -0.87 -4.59 115.22 111.96 3i1m n HIS 88 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 3i1m n HIS 88 Cb 0.66 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.53 3i1m n HIS 88 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 3i1m n THR 89 N 0.00 0.00 0.79 3.57 -1.04 -1.26 -1.06 114.28 115.28 3i1m n THR 89 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.14 3i1m n THR 89 Cb 0.00 0.00 0.35 0.00 -1.82 0.00 0.00 70.33 68.86 3i1m n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1m n GLY 90 N 0.00 -1.46 3.65 3.41 0.00 -1.26 -4.85 105.19 104.68 3i1m n GLY 90 Ca 0.00 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 3i1m n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i1m s SER 91 N -3.71 6.48 -0.33 1.61 0.01 -0.22 -1.44 113.70 116.10 3i1m s SER 91 Ca 0.10 0.57 -0.11 0.00 1.31 0.00 0.00 55.95 57.83 3i1m s SER 91 Cb 0.15 -2.27 -0.01 0.00 0.21 0.00 0.00 66.02 64.11 3i1m s SER 91 CO 0.64 -0.18 0.19 -0.13 0.41 0.00 0.00 173.24 174.18 3i1m s ARG 92 N 1.73 3.34 0.27 12.44 1.81 -0.60 -2.06 118.95 135.88 3i1m s ARG 92 Ca 0.21 -0.73 0.09 0.00 -1.72 0.00 0.00 55.73 53.59 3i1m s ARG 92 Cb -0.15 -3.67 -0.04 0.00 -0.45 0.00 0.00 34.95 30.63 3i1m s ARG 92 CO 0.09 -0.46 0.00 0.08 -0.68 0.00 0.00 175.30 174.34 3i1m s VAL 93 N 1.65 3.44 -0.29 3.52 1.01 0.12 0.12 120.40 129.97 3i1m s VAL 93 Ca 0.05 -1.90 -0.23 0.00 0.00 0.00 0.00 61.98 59.90 3i1m s VAL 93 Cb -0.17 -2.85 0.15 0.00 0.00 0.00 0.00 36.38 33.50 3i1m s VAL 93 CO 0.08 -0.37 1.14 0.12 0.00 0.00 0.00 175.10 176.07 3i1m s PHE 94 N -2.33 -0.36 0.02 5.22 2.19 -1.10 -2.10 117.98 119.51 3i1m s PHE 94 Ca 0.32 0.83 0.01 0.00 0.33 0.00 0.00 56.93 58.41 3i1m s PHE 94 Cb -0.06 0.37 -0.01 0.00 -1.31 0.00 0.00 43.02 42.00 3i1m s PHE 94 CO 0.20 -0.17 -0.04 0.00 1.83 0.00 0.00 175.22 177.04 3i1m s MET 95 N 0.44 0.30 -0.04 10.12 0.23 -1.03 -1.84 119.30 127.48 3i1m s MET 95 Ca 0.01 -0.46 -0.02 0.00 -1.03 0.00 0.00 55.69 54.19 3i1m s MET 95 Cb -0.05 -0.06 -0.04 0.00 -1.53 0.00 0.00 34.83 33.15 3i1m s MET 95 CO -0.11 0.00 0.09 -0.65 -2.03 0.00 0.00 175.02 172.33 3i1m s GLN 96 N -1.01 3.16 0.00 3.16 -1.52 0.03 -2.08 119.66 121.40 3i1m s GLN 96 Ca -0.09 -0.40 0.00 0.00 -1.95 0.00 0.00 55.36 52.92 3i1m s GLN 96 Cb -0.07 -2.93 0.00 0.00 -0.22 0.00 0.00 33.01 29.79 3i1m s GLN 96 CO -0.00 0.68 0.00 -0.35 -0.25 0.00 0.00 175.29 175.37 3i1m n PRO 97 N 1.42 0.00 -1.32 2.91 -0.04 -1.26 -2.11 135.00 134.60 3i1m n PRO 97 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 3i1m n PRO 97 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 3i1m n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i1m n ALA 98 N -3.00 -1.86 -1.45 0.55 0.00 -1.26 -3.98 120.51 109.51 3i1m n ALA 98 Ca 0.00 0.38 -0.35 0.00 0.00 0.00 0.00 53.44 53.47 3i1m n ALA 98 Cb 0.00 -1.26 0.08 0.00 0.00 0.00 0.00 19.45 18.27 3i1m n ALA 98 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3i1m s SER 99 N -3.29 4.43 0.26 0.00 1.04 -1.26 -4.32 113.70 110.56 3i1m s SER 99 Ca 0.00 2.36 -0.24 0.00 0.48 0.00 0.00 55.95 58.55 3i1m s SER 99 Cb 0.00 -2.59 -0.09 0.00 0.10 0.00 0.00 66.02 63.44 3i1m s SER 99 CO 0.00 -2.10 0.84 -1.83 0.98 0.00 0.00 173.24 171.13 3i1m s GLU 100 N -3.80 4.48 0.00 4.02 4.04 -1.26 -4.93 118.70 121.25 3i1m s GLU 100 Ca 0.75 1.15 0.12 0.00 0.04 0.00 0.00 54.97 57.03 3i1m s GLU 100 Cb -0.29 -2.93 -0.00 0.00 0.02 0.00 0.00 34.13 30.93 3i1m s GLU 100 CO 0.43 0.38 0.71 0.41 -1.84 0.00 0.00 175.26 175.35 3i1m n GLY 101 N 0.83 -0.12 0.00 -3.83 0.00 -1.26 -4.66 105.19 96.15 3i1m n GLY 101 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3i1m n GLY 101 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i1m n THR 102 N -0.22 0.00 -0.01 2.61 -1.04 -1.26 -5.15 114.28 109.21 3i1m n THR 102 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3i1m n THR 102 Cb 0.25 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 3i1m n THR 102 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1m n GLY 103 N -0.01 -3.30 3.59 3.41 0.00 -1.26 -4.92 105.19 102.69 3i1m n GLY 103 Ca 0.00 -0.98 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 3i1m n GLY 103 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3i1m n ILE 104 N -0.54 -4.47 -3.28 -0.61 3.06 0.16 -4.75 119.36 108.92 3i1m n ILE 104 Ca 0.00 0.05 -0.41 0.00 -2.50 0.00 0.00 62.75 59.90 3i1m n ILE 104 Cb 0.00 -3.69 -0.08 0.00 0.54 0.00 0.00 39.64 36.41 3i1m n ILE 104 CO 0.00 0.00 0.00 0.27 -2.50 0.00 0.00 176.55 174.32 3i1m s ILE 105 N -2.41 5.07 0.11 9.51 -4.36 -0.48 -4.98 121.20 123.66 3i1m s ILE 105 Ca 0.16 0.43 -0.24 0.00 -0.26 0.00 0.00 60.65 60.73 3i1m s ILE 105 Cb -0.02 -3.88 0.08 0.00 1.25 0.00 0.00 42.46 39.90 3i1m s ILE 105 CO 0.87 -0.09 1.13 0.00 0.24 0.00 0.00 174.94 177.09 3i1m s ALA 106 N 2.28 -1.91 0.61 2.27 0.00 -1.26 -1.32 121.76 122.44 3i1m s ALA 106 Ca 0.18 -0.20 -0.12 0.00 0.00 0.00 0.00 51.96 51.81 3i1m s ALA 106 Cb -0.16 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 3i1m s ALA 106 CO 0.12 -1.09 1.03 0.20 0.00 0.00 0.00 175.76 176.01 3i1m s GLY 107 N -3.55 1.78 0.85 0.00 0.00 -1.26 -4.83 107.32 100.31 3i1m s GLY 107 Ca 0.25 0.05 -0.15 0.00 0.00 0.00 0.00 44.72 44.87 3i1m s GLY 107 CO 0.03 0.33 0.36 0.61 0.00 0.00 0.00 173.10 174.44 3i1m n GLY 108 N -2.18 -2.02 1.82 0.20 0.00 -1.26 -2.03 105.19 99.71 3i1m n GLY 108 Ca 0.07 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3i1m n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1m n ALA 109 N -2.99 -2.00 -0.49 4.61 0.00 -1.26 -4.42 120.51 113.96 3i1m n ALA 109 Ca 0.07 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3i1m n ALA 109 Cb 0.52 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3i1m n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1m n MET 110 N -0.40 -1.01 0.00 0.00 -0.00 -1.26 -4.28 117.12 110.17 3i1m n MET 110 Ca 0.00 0.17 0.02 0.00 -0.00 0.00 0.00 57.70 57.88 3i1m n MET 110 Cb 0.00 -3.72 -0.01 0.00 -0.00 0.00 0.00 33.22 29.48 3i1m n MET 110 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 3i1m n ARG 111 N -0.15 4.79 0.00 3.17 0.63 -0.86 -4.19 116.66 120.05 3i1m n ARG 111 Ca 0.00 -0.12 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 3i1m n ARG 111 Cb 0.17 -0.74 0.00 0.00 0.45 0.00 0.00 32.46 32.34 3i1m n ARG 111 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i1m n ALA 112 N -0.87 0.00 -0.45 5.13 0.00 -1.26 -3.02 120.51 120.04 3i1m n ALA 112 Ca 0.01 -0.03 0.37 0.00 0.00 0.00 0.00 53.44 53.79 3i1m n ALA 112 Cb 0.06 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.18 3i1m n ALA 112 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3i1m h VAL 113 N 0.00 0.19 -0.12 0.00 -1.51 -1.89 0.78 116.25 113.70 3i1m h VAL 113 Ca 0.00 -0.04 -0.13 0.00 -1.23 0.00 0.00 66.70 65.31 3i1m h VAL 113 Cb 0.00 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.24 3i1m h VAL 113 CO 0.00 0.02 -0.42 0.25 -1.23 0.00 0.00 177.57 176.19 3i1m h LEU 114 N 0.11 0.58 0.85 4.19 5.85 -1.76 -1.28 115.31 123.84 3i1m h LEU 114 Ca 0.78 -0.61 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 3i1m h LEU 114 Cb 2.56 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 43.43 3i1m h LEU 114 CO -0.30 1.09 -0.41 -0.08 -0.34 0.00 0.00 178.44 178.41 3i1m h GLU 115 N 0.10 -1.10 0.00 1.25 4.81 0.65 -3.08 114.58 117.22 3i1m h GLU 115 Ca -0.02 0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3i1m h GLU 115 Cb 1.05 0.25 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 3i1m h GLU 115 CO 0.09 -0.72 -0.16 -0.39 -0.73 0.00 0.00 179.01 177.09 3i1m h VAL 116 N -1.22 0.73 -0.18 0.32 -1.51 -1.46 0.11 116.25 113.04 3i1m h VAL 116 Ca -0.12 -0.67 0.05 0.00 -1.23 0.00 0.00 66.70 64.74 3i1m h VAL 116 Cb 0.88 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 31.44 3i1m h VAL 116 CO 0.19 0.16 0.16 0.00 -1.23 0.00 0.00 177.57 176.86 3i1m h ALA 117 N 1.84 1.94 0.00 5.19 0.00 -1.14 -2.24 119.26 124.85 3i1m h ALA 117 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i1m h ALA 117 Cb 0.40 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3i1m h ALA 117 CO 0.02 -0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.42 3i1m n GLY 118 N -1.47 0.63 3.75 0.00 0.00 0.03 -1.48 105.19 106.65 3i1m n GLY 118 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3i1m n GLY 118 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i1m s VAL 119 N -2.14 3.63 -0.28 1.61 -7.23 -1.19 -4.75 120.40 110.05 3i1m s VAL 119 Ca 0.00 1.62 -0.02 0.00 -1.81 0.00 0.00 61.98 61.77 3i1m s VAL 119 Cb 0.00 -4.03 0.12 0.00 0.56 0.00 0.00 36.38 33.03 3i1m s VAL 119 CO 0.00 0.37 0.23 -1.00 -0.31 0.00 0.00 175.10 174.40 3i1m s HIS 120 N -1.06 -0.18 0.00 2.82 3.76 -0.75 -4.60 115.29 115.28 3i1m s HIS 120 Ca 0.44 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.97 3i1m s HIS 120 Cb -0.31 -0.61 0.00 0.00 1.11 0.00 0.00 32.58 32.78 3i1m s HIS 120 CO 0.39 -0.87 0.00 0.27 -0.85 0.00 0.00 174.74 173.68 3i1m n ASN 121 N 5.29 0.00 -4.34 1.40 2.04 -1.26 -4.75 115.26 113.64 3i1m n ASN 121 Ca -0.04 0.00 -0.38 0.00 -0.44 0.00 0.00 54.58 53.73 3i1m n ASN 121 Cb 0.45 0.00 0.04 0.00 -2.53 0.00 0.00 39.78 37.74 3i1m n ASN 121 CO 0.00 0.00 0.00 1.33 -0.44 0.00 0.00 177.26 178.15 3i1m n VAL 122 N 0.00 1.07 -3.80 3.53 0.24 -1.26 -0.67 118.33 117.45 3i1m n VAL 122 Ca 0.00 -0.47 -0.35 0.00 -2.04 0.00 0.00 64.34 61.49 3i1m n VAL 122 Cb 0.00 -0.38 -0.05 0.00 -1.47 0.00 0.00 33.84 31.93 3i1m n VAL 122 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i1m s LEU 123 N 2.75 4.37 0.22 1.34 1.02 -0.90 -1.39 118.68 126.10 3i1m s LEU 123 Ca 0.60 0.51 0.00 0.00 0.02 0.00 0.00 54.13 55.26 3i1m s LEU 123 Cb -0.41 -2.60 -0.04 0.00 0.02 0.00 0.00 46.19 43.16 3i1m s LEU 123 CO 0.63 0.27 0.11 0.00 0.02 0.00 0.00 176.35 177.38 3i1m s ALA 124 N -1.27 1.39 -0.28 4.21 0.00 -0.43 -0.79 121.76 124.59 3i1m s ALA 124 Ca 0.26 -1.76 -0.18 0.00 0.00 0.00 0.00 51.96 50.29 3i1m s ALA 124 Cb -0.13 1.20 0.11 0.00 0.00 0.00 0.00 23.12 24.30 3i1m s ALA 124 CO 0.15 -0.52 0.83 0.21 0.00 0.00 0.00 175.76 176.43 3i1m s LYS 125 N -4.10 0.58 -0.16 0.00 2.20 -0.77 -4.69 119.74 112.81 3i1m s LYS 125 Ca 0.37 0.93 -0.18 0.00 -0.36 0.00 0.00 55.97 56.74 3i1m s LYS 125 Cb 0.07 0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.51 3i1m s LYS 125 CO 0.12 -0.11 0.46 0.00 -0.36 0.00 0.00 175.35 175.46 3i1m s ALA 126 N 1.26 3.52 0.28 3.13 0.00 -1.26 -2.72 121.76 125.96 3i1m s ALA 126 Ca -0.07 -0.32 0.08 0.00 0.00 0.00 0.00 51.96 51.64 3i1m s ALA 126 Cb -0.04 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 3i1m s ALA 126 CO -0.15 -0.17 0.14 0.71 0.00 0.00 0.00 175.76 176.29 3i1m s TYR 127 N 1.02 2.91 0.00 0.00 1.51 0.32 -5.00 117.35 118.11 3i1m s TYR 127 Ca 0.24 -0.20 0.00 0.00 -1.01 0.00 0.00 57.07 56.09 3i1m s TYR 127 Cb -0.15 -1.42 0.00 0.00 -0.11 0.00 0.00 41.96 40.29 3i1m s TYR 127 CO 0.09 0.49 0.00 0.41 -1.11 0.00 0.00 175.55 175.43 3i1m n GLY 128 N -1.11 0.56 3.72 0.71 0.00 -1.26 -1.56 105.19 106.24 3i1m n GLY 128 Ca -0.06 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 3i1m n GLY 128 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i1m s SER 129 N -4.00 6.44 -0.27 1.61 0.15 -0.52 -4.85 113.70 112.26 3i1m s SER 129 Ca 0.00 2.80 0.08 0.00 0.70 0.00 0.00 55.95 59.53 3i1m s SER 129 Cb 0.00 -2.60 0.65 0.00 -1.71 0.00 0.00 66.02 62.36 3i1m s SER 129 CO 0.00 -0.93 1.65 1.07 1.20 0.00 0.00 173.24 176.23 3i1m n THR 130 N 3.90 2.55 -2.24 6.45 5.66 -1.26 -4.33 114.28 125.01 3i1m n THR 130 Ca 0.15 -1.36 -0.43 0.00 -3.05 0.00 0.00 64.05 59.36 3i1m n THR 130 Cb 0.36 -0.41 -0.02 0.00 -1.55 0.00 0.00 70.33 68.71 3i1m n THR 130 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 3i1m s ASN 131 N -0.77 6.22 0.13 1.09 3.84 -1.26 -4.90 114.94 119.29 3i1m s ASN 131 Ca 0.47 1.02 -0.28 0.00 0.21 0.00 0.00 52.86 54.28 3i1m s ASN 131 Cb 0.37 -2.54 -0.08 0.00 -0.55 0.00 0.00 41.25 38.46 3i1m s ASN 131 CO 0.12 -1.49 1.47 1.55 -2.79 0.00 0.00 177.10 175.96 3i1m h PRO 132 N 11.28 -0.15 -0.49 0.43 0.13 -1.96 -0.23 132.00 141.01 3i1m h PRO 132 Ca -0.30 0.01 0.14 0.00 -0.87 0.00 0.00 66.00 64.99 3i1m h PRO 132 Cb 1.13 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 3i1m h PRO 132 CO 1.06 -0.10 0.86 0.82 -0.23 0.00 0.00 178.00 180.42 3i1m h ILE 133 N -0.15 0.08 0.00 -3.56 5.03 -1.92 -0.48 117.51 116.50 3i1m h ILE 133 Ca 0.11 0.00 -0.34 0.00 -0.12 0.00 0.00 64.86 64.50 3i1m h ILE 133 Cb 0.43 0.24 -0.05 0.00 -3.03 0.00 0.00 36.82 34.41 3i1m h ILE 133 CO -0.69 0.00 -2.19 0.59 -0.68 0.00 0.00 178.15 175.18 3i1m n ASN 134 N -3.10 1.80 0.33 1.72 3.02 -0.20 -4.54 115.26 114.29 3i1m n ASN 134 Ca 0.10 0.15 -0.18 0.00 -0.03 0.00 0.00 54.58 54.62 3i1m n ASN 134 Cb 1.03 -0.54 -0.09 0.00 -0.61 0.00 0.00 39.78 39.57 3i1m n ASN 134 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 3i1m h VAL 135 N -0.54 0.15 -0.66 2.41 3.04 -0.35 0.90 116.25 121.21 3i1m h VAL 135 Ca -0.52 0.00 -0.41 0.00 -1.01 0.00 0.00 66.70 64.76 3i1m h VAL 135 Cb 1.55 0.15 -0.06 0.00 -2.01 0.00 0.00 31.29 30.92 3i1m h VAL 135 CO -0.25 0.00 1.24 0.54 -1.01 0.00 0.00 177.57 178.09 3i1m s VAL 136 N -5.97 3.66 0.00 1.51 0.11 -0.28 -1.83 120.40 117.61 3i1m s VAL 136 Ca -0.18 -0.96 0.00 0.00 -2.93 0.00 0.00 61.98 57.91 3i1m s VAL 136 Cb 0.04 -4.60 0.00 0.00 -1.53 0.00 0.00 36.38 30.29 3i1m s VAL 136 CO 0.62 -1.26 0.00 -1.14 -3.33 0.00 0.00 175.10 169.98 3i1m n ARG 137 N 8.50 0.00 0.26 1.54 0.63 -1.07 -4.66 116.66 121.85 3i1m n ARG 137 Ca 0.43 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.46 3i1m n ARG 137 Cb 0.47 0.00 0.70 0.00 0.45 0.00 0.00 32.46 34.08 3i1m n ARG 137 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i1m h ALA 138 N 0.00 1.91 0.13 5.13 0.00 0.15 0.43 119.26 127.01 3i1m h ALA 138 Ca 0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 3i1m h ALA 138 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3i1m h ALA 138 CO 0.00 -0.02 -1.00 1.79 0.00 0.00 0.00 179.25 180.02 3i1m h THR 139 N 0.00 1.36 -0.33 0.00 1.35 -1.58 -1.45 112.91 112.25 3i1m h THR 139 Ca 0.01 -2.49 0.05 0.00 -0.55 0.00 0.00 66.41 63.43 3i1m h THR 139 Cb 0.03 3.03 -0.05 0.00 -1.73 0.00 0.00 68.15 69.44 3i1m h THR 139 CO -0.00 0.70 0.04 0.40 -0.25 0.00 0.00 175.52 176.41 3i1m h ILE 140 N -0.38 0.81 0.00 6.82 5.03 -1.74 0.92 117.51 128.98 3i1m h ILE 140 Ca -0.19 -0.05 0.00 0.00 -0.12 0.00 0.00 64.86 64.49 3i1m h ILE 140 Cb 1.66 0.65 0.00 0.00 -3.03 0.00 0.00 36.82 36.10 3i1m h ILE 140 CO 0.11 0.03 0.00 -0.67 -0.68 0.00 0.00 178.15 176.94 3i1m n ASP 141 N -5.12 0.55 0.05 1.72 -0.08 0.11 -1.32 116.55 112.47 3i1m n ASP 141 Ca 0.01 0.63 0.13 0.00 -1.51 0.00 0.00 54.79 54.05 3i1m n ASP 141 Cb 0.16 -0.75 0.41 0.00 2.34 0.00 0.00 41.12 43.28 3i1m n ASP 141 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i1m n GLY 142 N 0.09 -1.54 0.10 0.27 0.00 0.30 -3.23 105.19 101.18 3i1m n GLY 142 Ca 0.03 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 3i1m n GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1m n LEU 143 N -1.91 2.69 -0.05 0.99 4.77 0.18 -4.28 117.00 119.39 3i1m n LEU 143 Ca 0.06 -0.10 -0.11 0.00 -0.03 0.00 0.00 56.01 55.83 3i1m n LEU 143 Cb 0.39 -0.63 -0.07 0.00 -2.33 0.00 0.00 43.42 40.78 3i1m n LEU 143 CO 0.31 0.81 0.50 -0.08 -1.33 0.00 0.00 177.39 177.61 3i1m h GLU 144 N 0.00 -0.35 -0.42 3.23 4.81 -1.39 -1.84 114.58 118.62 3i1m h GLU 144 Ca -0.47 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 58.90 3i1m h GLU 144 Cb 1.76 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 31.21 3i1m h GLU 144 CO -0.06 -0.23 0.41 -2.95 -0.73 0.00 0.00 179.01 175.44 3i1m h ASN 145 N -0.36 0.00 -2.64 1.04 -1.07 -1.79 -3.43 115.58 107.33 3i1m h ASN 145 Ca 0.04 0.00 -0.54 0.00 0.07 0.00 0.00 56.30 55.87 3i1m h ASN 145 Cb 0.47 0.00 0.06 0.00 -2.07 0.00 0.00 38.32 36.78 3i1m h ASN 145 CO -0.37 0.00 0.93 0.80 0.07 0.00 0.00 177.43 178.85 3i1m n MET 146 N -3.87 2.58 -3.72 4.14 0.00 -0.69 -4.94 117.12 110.62 3i1m n MET 146 Ca 0.07 0.93 -0.34 0.00 0.00 0.00 0.00 57.70 58.37 3i1m n MET 146 Cb 0.59 -2.74 -0.05 0.00 0.00 0.00 0.00 33.22 31.02 3i1m n MET 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3i1m s ASN 147 N 0.98 6.51 -0.81 6.12 2.20 -1.26 -4.69 114.94 123.99 3i1m s ASN 147 Ca 0.74 0.58 -0.22 0.00 -0.94 0.00 0.00 52.86 53.02 3i1m s ASN 147 Cb -0.55 -2.09 -0.19 0.00 -2.00 0.00 0.00 41.25 36.42 3i1m s ASN 147 CO 0.36 0.18 2.38 -1.54 -2.94 0.00 0.00 177.10 175.55 3i1m n SER 148 N 0.75 0.88 0.38 3.54 3.41 -1.26 -4.86 113.62 116.46 3i1m n SER 148 Ca -0.08 -0.86 -0.15 0.00 -0.26 0.00 0.00 58.87 57.52 3i1m n SER 148 Cb 0.52 -1.27 -0.07 0.00 -0.26 0.00 0.00 64.21 63.13 3i1m n SER 148 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3i1m h PRO 149 N 13.57 -0.96 0.00 4.33 0.13 -1.94 1.11 132.00 148.24 3i1m h PRO 149 Ca -0.04 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3i1m h PRO 149 Cb 1.12 0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3i1m h PRO 149 CO 1.24 -0.64 0.00 -0.85 -0.23 0.00 0.00 178.00 177.52 3i1m n GLU 150 N -5.43 0.73 -0.82 0.86 0.28 -1.26 -2.02 120.64 112.98 3i1m n GLU 150 Ca -0.12 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 56.90 3i1m n GLU 150 Cb 0.39 -1.36 0.03 0.00 1.43 0.00 0.00 31.44 31.93 3i1m n GLU 150 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 3i1m n MET 151 N -0.86 0.16 0.32 3.44 2.81 -1.08 -4.83 117.12 117.09 3i1m n MET 151 Ca 0.13 -1.56 0.21 0.00 -1.81 0.00 0.00 57.70 54.67 3i1m n MET 151 Cb 0.06 -0.45 1.10 0.00 -0.71 0.00 0.00 33.22 33.22 3i1m n MET 151 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 3i1m h VAL 152 N 6.24 0.04 -1.14 2.03 -1.51 0.19 -2.88 116.25 119.22 3i1m h VAL 152 Ca -0.08 -0.11 0.40 0.00 -1.23 0.00 0.00 66.70 65.68 3i1m h VAL 152 Cb 1.53 1.10 -0.15 0.00 -2.13 0.00 0.00 31.29 31.64 3i1m h VAL 152 CO 0.03 0.00 0.68 0.00 -1.23 0.00 0.00 177.57 177.06 3i1m h ALA 153 N 2.00 2.35 -0.22 5.19 0.00 -1.83 -0.40 119.26 126.35 3i1m h ALA 153 Ca -0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3i1m h ALA 153 Cb 0.10 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3i1m h ALA 153 CO 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 179.25 178.24 3i1m n ALA 154 N -2.38 0.00 0.15 0.00 0.00 -1.09 -0.26 120.51 116.93 3i1m n ALA 154 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3i1m n ALA 154 Cb 1.26 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.97 3i1m n ALA 154 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3i1m h LYS 155 N 0.00 0.02 0.00 0.00 5.09 -1.85 -3.41 116.57 116.43 3i1m h LYS 155 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.73 3i1m h LYS 155 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 3i1m h LYS 155 CO 0.00 0.51 0.00 0.54 -2.09 0.00 0.00 179.45 178.41 3i1m n ARG 156 N -3.96 -1.03 0.00 0.07 5.12 0.64 -3.94 116.66 113.57 3i1m n ARG 156 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 3i1m n ARG 156 Cb 0.51 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.81 3i1m n ARG 156 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i1m n GLY 157 N 0.00 -0.12 0.00 -0.13 0.00 -1.20 -4.80 105.19 98.95 3i1m n GLY 157 Ca 0.00 0.24 0.09 0.00 0.00 0.00 0.00 46.02 46.35 3i1m n GLY 157 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90