#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dcq s THR 2 N 0.00 2.82 0.08 0.00 2.01 -1.26 -5.03 115.64 114.26 3dcq s THR 2 Ca 0.00 0.72 0.02 0.00 0.31 0.00 0.00 61.69 62.74 3dcq s THR 2 Cb 0.00 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 3dcq s THR 2 CO 0.00 0.10 -0.07 -1.10 -0.69 0.00 0.00 174.62 172.86 3dcq s GLN 3 N -2.21 0.73 0.00 4.92 -1.52 -1.26 -4.84 119.66 115.48 3dcq s GLN 3 Ca 0.56 -1.13 0.00 0.00 -1.95 0.00 0.00 55.36 52.85 3dcq s GLN 3 Cb -0.36 -0.24 0.00 0.00 -0.22 0.00 0.00 33.01 32.19 3dcq s GLN 3 CO 0.46 0.01 0.00 0.41 -0.25 0.00 0.00 175.29 175.91 3dcq n GLY 4 N 0.51 0.71 3.46 3.09 0.00 -1.26 -4.89 105.19 106.80 3dcq n GLY 4 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 3dcq n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dcq s VAL 5 N -2.65 3.46 -0.00 1.61 1.01 -1.26 -0.24 120.40 122.33 3dcq s VAL 5 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3dcq s VAL 5 Cb 0.00 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 3dcq s VAL 5 CO 0.00 0.53 -0.03 -0.36 0.00 0.00 0.00 175.10 175.24 3dcq s PHE 6 N 0.10 0.29 -0.33 5.22 0.08 0.71 -5.00 117.98 119.05 3dcq s PHE 6 Ca -0.03 -0.07 -0.11 0.00 0.12 0.00 0.00 56.93 56.83 3dcq s PHE 6 Cb -0.14 -0.19 -0.01 0.00 -0.57 0.00 0.00 43.02 42.11 3dcq s PHE 6 CO 0.04 -0.01 0.20 0.99 -0.10 0.00 0.00 175.22 176.34 3dcq s THR 7 N -0.14 4.98 0.34 0.64 2.01 -1.26 -0.99 115.64 121.22 3dcq s THR 7 Ca 0.01 -0.30 0.07 0.00 0.31 0.00 0.00 61.69 61.78 3dcq s THR 7 Cb -0.02 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 3dcq s THR 7 CO -0.00 0.03 0.40 -0.76 -0.69 0.00 0.00 174.62 173.60 3dcq s LEU 8 N 1.68 3.82 0.46 4.42 1.02 0.13 -5.01 118.68 125.19 3dcq s LEU 8 Ca 0.05 -0.32 -0.24 0.00 0.02 0.00 0.00 54.13 53.65 3dcq s LEU 8 Cb -0.17 -2.53 -0.07 0.00 0.02 0.00 0.00 46.19 43.43 3dcq s LEU 8 CO 0.09 -0.40 1.31 -2.16 0.02 0.00 0.00 176.35 175.21 3dcq s PRO 9 N -4.10 3.67 0.70 1.29 0.04 -1.26 -4.36 135.00 130.98 3dcq s PRO 9 Ca 0.43 2.15 -0.16 0.00 0.04 0.00 0.00 61.00 63.46 3dcq s PRO 9 Cb -0.08 -2.55 0.02 0.00 0.04 0.00 0.00 34.50 31.93 3dcq s PRO 9 CO 0.29 -0.74 1.25 0.00 0.04 0.00 0.00 177.00 177.84 3dcq s ALA 10 N -1.31 2.20 -1.49 8.56 0.00 -1.26 -3.55 121.76 124.91 3dcq s ALA 10 Ca 0.62 1.04 -0.04 0.00 0.00 0.00 0.00 51.96 53.59 3dcq s ALA 10 Cb -0.38 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.26 3dcq s ALA 10 CO 0.47 -1.80 0.42 0.09 0.00 0.00 0.00 175.76 174.95 3dcq n ASN 11 N -2.40 -0.66 -4.16 0.00 3.02 0.21 -4.86 115.26 106.41 3dcq n ASN 11 Ca 0.15 -1.05 -0.28 0.00 -0.03 0.00 0.00 54.58 53.36 3dcq n ASN 11 Cb 0.49 -2.76 -0.16 0.00 -0.61 0.00 0.00 39.78 36.73 3dcq n ASN 11 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dcq s THR 12 N -3.90 1.64 0.31 3.41 2.01 -1.23 -4.84 115.64 113.04 3dcq s THR 12 Ca 0.14 -0.81 -0.29 0.00 0.31 0.00 0.00 61.69 61.04 3dcq s THR 12 Cb -0.08 -1.42 -0.10 0.00 0.01 0.00 0.00 72.50 70.91 3dcq s THR 12 CO 0.91 0.47 1.17 -0.13 -0.69 0.00 0.00 174.62 176.35 3dcq s ARG 13 N 0.20 4.49 0.04 4.92 0.52 -1.26 -0.38 118.95 127.49 3dcq s ARG 13 Ca -0.10 1.92 -0.06 0.00 -0.52 0.00 0.00 55.73 56.98 3dcq s ARG 13 Cb -0.14 -3.09 -0.01 0.00 0.52 0.00 0.00 34.95 32.22 3dcq s ARG 13 CO 0.04 0.04 0.11 -0.59 0.02 0.00 0.00 175.30 174.92 3dcq s PHE 14 N -1.19 0.19 0.07 -0.53 -0.71 0.44 -4.02 117.98 112.21 3dcq s PHE 14 Ca 0.47 -0.48 0.00 0.00 -1.04 0.00 0.00 56.93 55.88 3dcq s PHE 14 Cb -0.34 -0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.30 3dcq s PHE 14 CO 0.44 -0.37 0.21 0.20 -1.34 0.00 0.00 175.22 174.36 3dcq s GLY 15 N -2.11 2.16 -0.04 1.99 0.00 -0.10 -0.84 107.32 108.38 3dcq s GLY 15 Ca -0.05 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 43.83 3dcq s GLY 15 CO -0.04 -0.83 -0.03 0.54 0.00 0.00 0.00 173.10 172.73 3dcq s VAL 16 N -1.52 0.46 -0.01 1.40 0.11 -0.40 -1.49 120.40 118.94 3dcq s VAL 16 Ca 0.35 -0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.36 3dcq s VAL 16 Cb -0.13 -0.51 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 3dcq s VAL 16 CO 0.28 0.21 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.32 3dcq s THR 17 N 1.04 0.45 0.06 5.04 2.01 -0.43 -0.91 115.64 122.91 3dcq s THR 17 Ca -0.09 -0.22 0.09 0.00 0.31 0.00 0.00 61.69 61.78 3dcq s THR 17 Cb -0.14 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 3dcq s THR 17 CO -0.01 0.14 -0.26 0.00 -0.69 0.00 0.00 174.62 173.80 3dcq s ALA 18 N 0.03 2.30 -0.03 7.40 0.00 0.36 -0.79 121.76 131.03 3dcq s ALA 18 Ca 0.00 -1.30 0.05 0.00 0.00 0.00 0.00 51.96 50.70 3dcq s ALA 18 Cb -0.04 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 3dcq s ALA 18 CO -0.00 0.54 -0.17 -0.06 0.00 0.00 0.00 175.76 176.07 3dcq s PHE 19 N -0.86 1.59 -0.03 0.00 0.08 0.67 -1.18 117.98 118.25 3dcq s PHE 19 Ca 0.12 -0.36 0.04 0.00 0.12 0.00 0.00 56.93 56.85 3dcq s PHE 19 Cb -0.10 -1.04 -0.03 0.00 -0.57 0.00 0.00 43.02 41.28 3dcq s PHE 19 CO 0.03 -0.08 -0.15 0.00 -0.10 0.00 0.00 175.22 174.92 3dcq s ALA 20 N -0.21 2.66 -0.44 5.36 0.00 -0.54 -0.30 121.76 128.29 3dcq s ALA 20 Ca 0.02 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 51.02 3dcq s ALA 20 Cb -0.09 -0.92 0.22 0.00 0.00 0.00 0.00 23.12 22.34 3dcq s ALA 20 CO 0.00 0.56 0.63 0.09 0.00 0.00 0.00 175.76 177.05 3dcq n ASN 21 N 2.10 -1.44 -3.55 0.00 3.02 -0.42 -1.89 115.26 113.08 3dcq n ASN 21 Ca -0.17 -2.85 -0.09 0.00 -0.03 0.00 0.00 54.58 51.44 3dcq n ASN 21 Cb 0.52 0.49 -0.04 0.00 -0.61 0.00 0.00 39.78 40.14 3dcq n ASN 21 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3dcq s SER 22 N -0.78 -0.35 0.39 6.41 0.15 0.53 -3.92 113.70 116.14 3dcq s SER 22 Ca 0.33 0.22 0.27 0.00 0.70 0.00 0.00 55.95 57.47 3dcq s SER 22 Cb 0.14 0.32 0.83 0.00 -1.71 0.00 0.00 66.02 65.59 3dcq s SER 22 CO -0.16 -0.43 1.76 0.28 1.20 0.00 0.00 173.24 175.90 3dcq h SER 23 N 2.31 0.00 -3.45 5.45 0.02 -1.96 -3.28 113.55 112.64 3dcq h SER 23 Ca -0.19 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.22 3dcq h SER 23 Cb 1.19 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.70 3dcq h SER 23 CO 0.30 0.00 0.20 -0.83 -1.14 0.00 0.00 176.83 175.36 3dcq s GLY 24 N -3.95 2.82 0.06 -3.77 0.00 -1.26 -4.92 107.32 96.30 3dcq s GLY 24 Ca 0.06 0.34 -0.31 0.00 0.00 0.00 0.00 44.72 44.81 3dcq s GLY 24 CO 0.57 1.19 1.74 -1.59 0.00 0.00 0.00 173.10 175.01 3dcq s THR 25 N 0.06 2.99 0.05 0.90 2.01 -1.26 -4.76 115.64 115.62 3dcq s THR 25 Ca 0.41 0.35 -0.10 0.00 0.31 0.00 0.00 61.69 62.65 3dcq s THR 25 Cb -0.21 -3.22 -0.06 0.00 0.01 0.00 0.00 72.50 69.02 3dcq s THR 25 CO 0.24 -0.01 0.38 -1.10 -0.69 0.00 0.00 174.62 173.44 3dcq s GLN 26 N 3.10 3.76 -0.12 4.92 -1.52 0.66 -3.84 119.66 126.63 3dcq s GLN 26 Ca 0.78 0.18 -0.01 0.00 -1.95 0.00 0.00 55.36 54.35 3dcq s GLN 26 Cb -0.41 -3.06 0.03 0.00 -0.22 0.00 0.00 33.01 29.36 3dcq s GLN 26 CO 0.34 0.60 -0.03 0.99 -0.25 0.00 0.00 175.29 176.95 3dcq s THR 27 N -1.31 0.73 -0.15 -0.19 2.01 0.09 -2.08 115.64 114.73 3dcq s THR 27 Ca 0.30 -0.22 -0.02 0.00 0.31 0.00 0.00 61.69 62.06 3dcq s THR 27 Cb -0.14 -0.88 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 3dcq s THR 27 CO 0.16 0.22 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.53 3dcq s VAL 28 N 1.82 3.36 -0.09 3.82 1.01 0.89 -0.65 120.40 130.55 3dcq s VAL 28 Ca 0.04 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.51 3dcq s VAL 28 Cb -0.13 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 3dcq s VAL 28 CO -0.07 0.50 -0.18 0.21 0.00 0.00 0.00 175.10 175.56 3dcq s ASN 29 N 0.56 3.62 -0.19 3.32 2.47 0.49 -0.65 114.94 124.56 3dcq s ASN 29 Ca -0.06 -0.38 -0.01 0.00 0.42 0.00 0.00 52.86 52.83 3dcq s ASN 29 Cb -0.15 -1.20 0.01 0.00 -1.45 0.00 0.00 41.25 38.46 3dcq s ASN 29 CO 0.03 0.23 -0.15 -0.69 -3.72 0.00 0.00 177.10 172.80 3dcq s VAL 30 N -0.03 2.49 -0.07 -5.21 1.01 0.20 -0.83 120.40 117.97 3dcq s VAL 30 Ca -0.05 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 3dcq s VAL 30 Cb -0.14 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 3dcq s VAL 30 CO 0.05 0.50 0.04 -0.76 0.00 0.00 0.00 175.10 174.93 3dcq s LEU 31 N 1.32 3.78 -0.11 3.92 1.02 0.14 0.50 118.68 129.26 3dcq s LEU 31 Ca 0.05 0.20 0.02 0.00 0.02 0.00 0.00 54.13 54.41 3dcq s LEU 31 Cb -0.14 -1.96 0.01 0.00 0.02 0.00 0.00 46.19 44.13 3dcq s LEU 31 CO -0.09 0.36 -0.15 -0.69 0.02 0.00 0.00 176.35 175.79 3dcq s VAL 32 N -0.98 1.52 -1.48 -1.59 1.01 0.70 -0.73 120.40 118.84 3dcq s VAL 32 Ca 0.16 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 3dcq s VAL 32 Cb -0.12 -1.39 0.06 0.00 0.00 0.00 0.00 36.38 34.94 3dcq s VAL 32 CO 0.05 0.45 0.86 -3.20 0.00 0.00 0.00 175.10 173.26 3dcq n ASN 33 N 4.24 -3.48 -0.27 3.32 5.15 0.36 -1.64 115.26 122.94 3dcq n ASN 33 Ca -0.19 -0.82 -0.03 0.00 -0.60 0.00 0.00 54.58 52.93 3dcq n ASN 33 Cb 0.51 -3.77 -0.01 0.00 -0.53 0.00 0.00 39.78 35.97 3dcq n ASN 33 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3dcq n ASN 34 N -2.89 -4.95 -4.27 1.20 3.02 -1.26 -4.99 115.26 101.11 3dcq n ASN 34 Ca -0.06 0.09 -0.32 0.00 -0.03 0.00 0.00 54.58 54.25 3dcq n ASN 34 Cb 0.57 -2.76 -0.16 0.00 -0.61 0.00 0.00 39.78 36.82 3dcq n ASN 34 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3dcq s GLU 35 N -1.80 2.87 0.11 3.52 8.01 -0.65 -5.03 118.70 125.73 3dcq s GLU 35 Ca 0.00 -0.85 -0.32 0.00 0.01 0.00 0.00 54.97 53.81 3dcq s GLU 35 Cb 0.00 -2.30 -0.11 0.00 -4.31 0.00 0.00 34.13 27.41 3dcq s GLU 35 CO 0.00 0.29 1.82 2.41 0.01 0.00 0.00 175.26 179.79 3dcq n THR 36 N 3.23 0.35 0.06 3.63 -1.04 -1.26 -0.22 114.28 119.02 3dcq n THR 36 Ca -0.18 -0.06 0.01 0.00 -2.04 0.00 0.00 64.05 61.78 3dcq n THR 36 Cb 0.52 -2.07 -0.02 0.00 -1.82 0.00 0.00 70.33 66.95 3dcq n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dcq n ALA 37 N 5.52 2.22 -3.51 2.41 0.00 0.18 -4.87 120.51 122.46 3dcq n ALA 37 Ca 0.18 -0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.37 3dcq n ALA 37 Cb 0.36 -0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.65 3dcq n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dcq s ALA 38 N -1.78 -1.73 -0.07 0.00 0.00 -1.05 -5.00 121.76 112.14 3dcq s ALA 38 Ca -0.00 1.31 -0.04 0.00 0.00 0.00 0.00 51.96 53.23 3dcq s ALA 38 Cb 0.02 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.12 3dcq s ALA 38 CO 0.11 -0.36 0.17 0.99 0.00 0.00 0.00 175.76 176.67 3dcq s THR 39 N -1.12 -0.04 0.15 0.00 2.01 -1.26 -0.63 115.64 114.76 3dcq s THR 39 Ca -0.11 0.13 0.06 0.00 0.31 0.00 0.00 61.69 62.09 3dcq s THR 39 Cb -0.00 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.20 3dcq s THR 39 CO 0.09 0.05 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.58 3dcq s PHE 40 N 0.92 1.47 0.07 4.92 0.08 0.17 -4.98 117.98 120.63 3dcq s PHE 40 Ca -0.07 -0.60 -0.24 0.00 0.12 0.00 0.00 56.93 56.14 3dcq s PHE 40 Cb -0.09 -0.74 0.06 0.00 -0.57 0.00 0.00 43.02 41.69 3dcq s PHE 40 CO -0.05 0.19 0.57 0.45 -0.10 0.00 0.00 175.22 176.29 3dcq s SER 41 N -2.84 -0.52 0.00 1.36 0.15 -1.26 -0.08 113.70 110.52 3dcq s SER 41 Ca 0.14 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.00 3dcq s SER 41 Cb -0.02 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 3dcq s SER 41 CO 0.04 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.31 3dcq n GLY 42 N 0.24 -0.31 2.75 9.45 0.00 -0.88 -4.85 105.19 111.60 3dcq n GLY 42 Ca -0.18 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 44.68 3dcq n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dcq s GLN 43 N -2.00 0.21 -0.12 1.61 -0.44 -1.26 -0.24 119.66 117.42 3dcq s GLN 43 Ca 0.00 0.18 -0.18 0.00 -2.50 0.00 0.00 55.36 52.86 3dcq s GLN 43 Cb 0.00 -1.14 0.04 0.00 -1.64 0.00 0.00 33.01 30.28 3dcq s GLN 43 CO 0.00 -0.69 0.46 0.45 0.50 0.00 0.00 175.29 176.00 3dcq s SER 44 N 2.33 -0.43 -0.16 6.67 0.15 -1.24 -5.00 113.70 116.02 3dcq s SER 44 Ca 0.07 0.69 0.16 0.00 0.70 0.00 0.00 55.95 57.58 3dcq s SER 44 Cb -0.16 0.74 0.50 0.00 -1.71 0.00 0.00 66.02 65.39 3dcq s SER 44 CO -0.14 -0.29 1.40 0.35 1.20 0.00 0.00 173.24 175.75 3dcq n THR 45 N 2.17 2.12 -2.25 6.45 -2.24 -1.26 -0.35 114.28 118.94 3dcq n THR 45 Ca -0.16 -1.77 -0.06 0.00 -2.27 0.00 0.00 64.05 59.78 3dcq n THR 45 Cb 0.57 -0.16 0.07 0.00 -2.10 0.00 0.00 70.33 68.70 3dcq n THR 45 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3dcq n ASN 46 N -0.39 2.67 -2.66 3.42 5.15 -1.26 -4.82 115.26 117.37 3dcq n ASN 46 Ca 0.20 -3.00 -0.22 0.00 -0.60 0.00 0.00 54.58 50.96 3dcq n ASN 46 Cb 0.83 -0.41 0.01 0.00 -0.53 0.00 0.00 39.78 39.68 3dcq n ASN 46 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3dcq n ASN 47 N -0.56 -6.04 -4.72 1.20 5.15 -0.79 -4.92 115.26 104.58 3dcq n ASN 47 Ca 0.22 -0.13 -0.42 0.00 -0.60 0.00 0.00 54.58 53.65 3dcq n ASN 47 Cb 0.89 -4.97 -0.01 0.00 -0.53 0.00 0.00 39.78 35.17 3dcq n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dcq n ALA 48 N -2.67 1.65 -2.78 5.20 0.00 -1.19 -4.54 120.51 116.18 3dcq n ALA 48 Ca -0.19 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.18 3dcq n ALA 48 Cb 0.66 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.77 3dcq n ALA 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dcq s VAL 49 N -0.84 4.45 -0.18 0.00 1.01 -1.26 -1.46 120.40 122.11 3dcq s VAL 49 Ca 0.57 -1.45 0.27 0.00 0.00 0.00 0.00 61.98 61.37 3dcq s VAL 49 Cb -0.55 -4.92 0.28 0.00 0.00 0.00 0.00 36.38 31.19 3dcq s VAL 49 CO 0.59 -1.70 1.81 0.16 0.00 0.00 0.00 175.10 175.96 3dcq h ILE 50 N 6.00 0.00 -1.32 2.22 3.07 -1.47 -3.45 117.51 122.56 3dcq h ILE 50 Ca 0.21 -0.18 0.18 0.00 1.55 0.00 0.00 64.86 66.62 3dcq h ILE 50 Cb 0.99 0.91 -0.24 0.00 -0.27 0.00 0.00 36.82 38.21 3dcq h ILE 50 CO 1.25 0.00 0.77 -0.83 -1.05 0.00 0.00 178.15 178.30 3dcq s GLY 51 N -3.71 -0.11 -0.12 0.16 0.00 -1.21 -4.41 107.32 97.92 3dcq s GLY 51 Ca 0.01 2.33 -0.17 0.00 0.00 0.00 0.00 44.72 46.89 3dcq s GLY 51 CO 0.36 0.99 0.43 -1.08 0.00 0.00 0.00 173.10 173.80 3dcq s THR 52 N -1.28 0.01 0.09 0.90 -1.32 -1.26 -0.49 115.64 112.30 3dcq s THR 52 Ca 0.05 -0.12 -0.25 0.00 -1.21 0.00 0.00 61.69 60.16 3dcq s THR 52 Cb -0.01 -0.65 0.07 0.00 -1.51 0.00 0.00 72.50 70.40 3dcq s THR 52 CO -0.04 -0.07 0.62 -1.58 -2.21 0.00 0.00 174.62 171.35 3dcq s GLN 53 N -0.28 1.21 -0.17 7.08 0.74 -0.08 -5.00 119.66 123.15 3dcq s GLN 53 Ca -0.04 -0.24 -0.06 0.00 0.05 0.00 0.00 55.36 55.07 3dcq s GLN 53 Cb -0.03 0.56 -0.03 0.00 1.10 0.00 0.00 33.01 34.60 3dcq s GLN 53 CO 0.02 -0.48 0.02 0.08 -0.55 0.00 0.00 175.29 174.38 3dcq s VAL 54 N -2.94 4.36 0.32 1.34 1.01 -1.26 -1.28 120.40 121.95 3dcq s VAL 54 Ca -0.03 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 61.81 3dcq s VAL 54 Cb -0.01 -2.94 -0.06 0.00 0.00 0.00 0.00 36.38 33.37 3dcq s VAL 54 CO -0.06 0.47 0.03 -0.76 0.00 0.00 0.00 175.10 174.78 3dcq s LEU 55 N 0.40 2.30 -0.10 3.92 1.43 -0.02 -4.97 118.68 121.65 3dcq s LEU 55 Ca -0.00 -1.33 0.02 0.00 -1.03 0.00 0.00 54.13 51.79 3dcq s LEU 55 Cb -0.13 -0.47 -0.01 0.00 0.03 0.00 0.00 46.19 45.60 3dcq s LEU 55 CO 0.02 -0.54 -0.18 0.21 0.23 0.00 0.00 176.35 176.09 3dcq s ASN 56 N -3.49 3.62 0.37 2.29 3.84 -1.26 -0.42 114.94 119.89 3dcq s ASN 56 Ca 0.35 -0.40 0.27 0.00 0.21 0.00 0.00 52.86 53.29 3dcq s ASN 56 Cb 0.08 -1.34 1.25 0.00 -0.55 0.00 0.00 41.25 40.69 3dcq s ASN 56 CO 0.15 0.20 1.81 0.77 -2.79 0.00 0.00 177.10 177.24 3dcq h SER 57 N 6.43 0.00 -2.90 -4.21 4.64 -1.01 -3.46 113.55 113.04 3dcq h SER 57 Ca -0.27 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.16 3dcq h SER 57 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 3dcq h SER 57 CO 0.51 0.00 -0.16 0.61 -0.87 0.00 0.00 176.83 176.93 3dcq n GLY 58 N -0.47 -1.73 0.28 -0.77 0.00 -1.26 -1.85 105.19 99.39 3dcq n GLY 58 Ca 0.00 -1.24 0.05 0.00 0.00 0.00 0.00 46.02 44.83 3dcq n GLY 58 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dcq h SER 59 N -0.41 0.28 0.95 1.61 4.64 -1.93 0.60 113.55 119.30 3dcq h SER 59 Ca 0.01 -0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.12 3dcq h SER 59 Cb 0.40 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 3dcq h SER 59 CO 0.00 0.23 -1.12 0.77 -0.87 0.00 0.00 176.83 175.85 3dcq h SER 60 N 0.33 0.00 0.00 4.97 4.64 -1.96 -3.44 113.55 118.08 3dcq h SER 60 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3dcq h SER 60 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3dcq h SER 60 CO -0.01 0.80 0.00 0.61 -0.87 0.00 0.00 176.83 177.35 3dcq n GLY 61 N 1.37 0.42 3.67 -0.77 0.00 -0.77 -4.82 105.19 104.29 3dcq n GLY 61 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3dcq n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dcq s LYS 62 N -0.67 4.32 -0.04 1.61 2.20 -1.26 0.22 119.74 126.13 3dcq s LYS 62 Ca 0.00 1.08 0.04 0.00 -0.36 0.00 0.00 55.97 56.73 3dcq s LYS 62 Cb 0.00 -3.57 -0.00 0.00 -1.51 0.00 0.00 37.83 32.75 3dcq s LYS 62 CO 0.00 -0.32 -0.15 0.08 -0.36 0.00 0.00 175.35 174.60 3dcq s VAL 63 N 2.10 1.26 -0.01 4.02 1.01 -0.16 -0.49 120.40 128.13 3dcq s VAL 63 Ca 0.40 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.77 3dcq s VAL 63 Cb -0.17 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.13 3dcq s VAL 63 CO 0.13 0.37 -0.05 -1.58 0.00 0.00 0.00 175.10 173.97 3dcq s GLN 64 N 0.02 0.50 -0.12 2.72 0.74 0.09 -0.21 119.66 123.40 3dcq s GLN 64 Ca -0.02 -0.19 -0.01 0.00 0.05 0.00 0.00 55.36 55.19 3dcq s GLN 64 Cb -0.10 -0.49 -0.02 0.00 1.10 0.00 0.00 33.01 33.49 3dcq s GLN 64 CO 0.01 0.10 -0.09 0.08 -0.55 0.00 0.00 175.29 174.84 3dcq s VAL 65 N 0.01 3.46 0.02 1.34 1.01 0.67 0.28 120.40 127.19 3dcq s VAL 65 Ca 0.00 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.51 3dcq s VAL 65 Cb -0.04 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 3dcq s VAL 65 CO -0.00 0.53 -0.16 -1.10 0.00 0.00 0.00 175.10 174.37 3dcq s GLN 66 N 0.04 1.16 -0.03 2.72 -0.21 -0.01 -4.71 119.66 118.63 3dcq s GLN 66 Ca -0.02 -0.73 0.01 0.00 0.02 0.00 0.00 55.36 54.64 3dcq s GLN 66 Cb -0.14 -1.18 0.01 0.00 1.00 0.00 0.00 33.01 32.71 3dcq s GLN 66 CO 0.04 0.31 -0.04 0.08 -2.12 0.00 0.00 175.29 173.55 3dcq s VAL 67 N -0.67 0.44 0.04 1.09 1.01 -1.26 -0.38 120.40 120.68 3dcq s VAL 67 Ca 0.05 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.92 3dcq s VAL 67 Cb -0.07 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 3dcq s VAL 67 CO 0.01 0.17 -0.09 -0.44 0.00 0.00 0.00 175.10 174.75 3dcq s SER 68 N 0.51 1.07 -0.12 3.32 0.01 0.17 -0.04 113.70 118.63 3dcq s SER 68 Ca -0.06 -0.52 -0.01 0.00 1.31 0.00 0.00 55.95 56.67 3dcq s SER 68 Cb -0.10 -0.00 0.03 0.00 0.21 0.00 0.00 66.02 66.17 3dcq s SER 68 CO -0.00 -0.14 -0.02 -0.69 0.41 0.00 0.00 173.24 172.80 3dcq s VAL 69 N -1.21 0.71 -1.56 3.43 1.01 0.10 -0.73 120.40 122.16 3dcq s VAL 69 Ca -0.06 -0.24 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 3dcq s VAL 69 Cb -0.09 -0.89 0.09 0.00 0.00 0.00 0.00 36.38 35.49 3dcq s VAL 69 CO 0.01 0.19 0.86 0.59 0.00 0.00 0.00 175.10 176.74 3dcq n ASN 70 N 5.03 -3.71 0.00 3.32 5.03 -1.25 -1.39 115.26 122.28 3dcq n ASN 70 Ca -0.10 -0.87 0.00 0.00 0.87 0.00 0.00 54.58 54.48 3dcq n ASN 70 Cb 0.49 -3.50 0.00 0.00 -1.02 0.00 0.00 39.78 35.75 3dcq n ASN 70 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3dcq n GLY 71 N -1.62 0.75 3.21 7.41 0.00 -1.26 -5.06 105.19 108.61 3dcq n GLY 71 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3dcq n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dcq s ARG 72 N -0.46 3.05 0.26 1.61 0.52 -0.49 -5.09 118.95 118.36 3dcq s ARG 72 Ca 0.00 -0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 54.05 3dcq s ARG 72 Cb 0.00 -2.37 -0.10 0.00 0.52 0.00 0.00 34.95 33.00 3dcq s ARG 72 CO 0.00 0.10 1.41 -2.14 0.02 0.00 0.00 175.30 174.69 3dcq s PRO 73 N 0.55 4.28 0.56 3.54 0.02 -1.26 0.03 135.00 142.71 3dcq s PRO 73 Ca -0.14 2.28 -0.08 0.00 0.02 0.00 0.00 61.00 63.08 3dcq s PRO 73 Cb -0.17 -3.11 -0.03 0.00 0.02 0.00 0.00 34.50 31.21 3dcq s PRO 73 CO 0.04 -0.38 0.91 -1.12 -0.33 0.00 0.00 177.00 176.12 3dcq s SER 74 N 0.24 6.19 0.06 2.53 0.01 0.95 -4.88 113.70 118.80 3dcq s SER 74 Ca 0.58 1.15 -0.30 0.00 1.31 0.00 0.00 55.95 58.68 3dcq s SER 74 Cb -0.41 -2.31 -0.05 0.00 0.21 0.00 0.00 66.02 63.46 3dcq s SER 74 CO 0.45 -0.76 0.98 -0.62 0.41 0.00 0.00 173.24 173.69 3dcq s ASP 75 N -4.16 7.43 0.13 2.44 2.15 -0.71 -4.80 116.67 119.15 3dcq s ASP 75 Ca 0.51 1.75 0.04 0.00 0.43 0.00 0.00 52.55 55.28 3dcq s ASP 75 Cb -0.11 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.89 3dcq s ASP 75 CO 0.49 -0.16 0.12 -0.76 -0.17 0.00 0.00 175.17 174.69 3dcq s LEU 76 N 0.46 3.83 0.02 -1.34 1.43 -1.26 -0.99 118.68 120.81 3dcq s LEU 76 Ca 0.49 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 3dcq s LEU 76 Cb -0.23 -2.46 -0.01 0.00 0.03 0.00 0.00 46.19 43.52 3dcq s LEU 76 CO 0.29 0.11 -0.05 0.68 0.23 0.00 0.00 176.35 177.60 3dcq s VAL 77 N -1.62 0.38 0.21 -1.59 -7.23 -0.50 -4.84 120.40 105.22 3dcq s VAL 77 Ca 0.30 -0.60 -0.22 0.00 -1.81 0.00 0.00 61.98 59.65 3dcq s VAL 77 Cb -0.11 -0.40 0.05 0.00 0.56 0.00 0.00 36.38 36.48 3dcq s VAL 77 CO 0.23 -0.16 0.67 -0.94 -0.31 0.00 0.00 175.10 174.59 3dcq s SER 78 N -0.82 -0.41 0.03 4.85 1.04 -1.26 0.09 113.70 117.22 3dcq s SER 78 Ca -0.05 -0.29 -0.28 0.00 0.48 0.00 0.00 55.95 55.81 3dcq s SER 78 Cb -0.06 0.65 0.09 0.00 0.10 0.00 0.00 66.02 66.81 3dcq s SER 78 CO -0.00 -1.14 0.92 0.00 0.98 0.00 0.00 173.24 174.00 3dcq s ALA 79 N -3.81 -1.80 -0.04 5.32 0.00 -0.80 -4.90 121.76 115.74 3dcq s ALA 79 Ca 0.06 0.82 0.07 0.00 0.00 0.00 0.00 51.96 52.90 3dcq s ALA 79 Cb -0.03 0.46 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 3dcq s ALA 79 CO -0.03 -0.77 -0.24 -1.14 0.00 0.00 0.00 175.76 173.58 3dcq s GLN 80 N -3.13 2.17 -0.01 0.00 0.74 -1.26 -0.02 119.66 118.15 3dcq s GLN 80 Ca 0.07 -0.85 0.04 0.00 0.05 0.00 0.00 55.36 54.67 3dcq s GLN 80 Cb -0.01 -1.96 -0.01 0.00 1.10 0.00 0.00 33.01 32.13 3dcq s GLN 80 CO -0.06 0.43 -0.14 0.54 -0.55 0.00 0.00 175.29 175.51 3dcq s VAL 81 N -0.33 1.08 -0.11 1.34 0.11 -0.02 -4.99 120.40 117.48 3dcq s VAL 81 Ca 0.03 -0.57 0.03 0.00 -2.93 0.00 0.00 61.98 58.54 3dcq s VAL 81 Cb -0.11 -0.91 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 3dcq s VAL 81 CO 0.01 0.31 -0.23 -0.63 -3.33 0.00 0.00 175.10 171.23 3dcq s ILE 82 N -0.24 2.02 -0.10 7.04 1.01 -1.26 -1.23 121.20 128.44 3dcq s ILE 82 Ca 0.04 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.68 3dcq s ILE 82 Cb -0.06 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 3dcq s ILE 82 CO -0.00 0.55 0.00 -0.76 0.00 0.00 0.00 174.94 174.73 3dcq s LEU 83 N 0.51 3.55 -1.44 2.97 1.43 0.44 -4.54 118.68 121.60 3dcq s LEU 83 Ca -0.15 0.11 -0.16 0.00 -1.03 0.00 0.00 54.13 52.90 3dcq s LEU 83 Cb -0.17 -1.82 0.15 0.00 0.03 0.00 0.00 46.19 44.38 3dcq s LEU 83 CO 0.05 0.35 0.54 1.07 0.23 0.00 0.00 176.35 178.59 3dcq n THR 84 N 2.35 -0.48 -1.69 5.49 5.66 -1.26 -1.00 114.28 123.36 3dcq n THR 84 Ca -0.18 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.67 3dcq n THR 84 Cb 0.53 -1.02 -0.05 0.00 -1.55 0.00 0.00 70.33 68.24 3dcq n THR 84 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 3dcq n ASN 85 N -2.33 -4.04 0.00 1.09 5.15 -1.26 -4.66 115.26 109.21 3dcq n ASN 85 Ca 0.06 0.31 0.00 0.00 -0.60 0.00 0.00 54.58 54.35 3dcq n ASN 85 Cb 0.49 -3.63 0.00 0.00 -0.53 0.00 0.00 39.78 36.11 3dcq n ASN 85 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3dcq n GLU 86 N -2.21 0.00 -3.40 1.20 -0.58 -0.17 -5.07 120.64 110.42 3dcq n GLU 86 Ca -0.15 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.20 3dcq n GLU 86 Cb 0.52 -0.42 -0.08 0.00 -0.57 0.00 0.00 31.44 30.89 3dcq n GLU 86 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3dcq s LEU 87 N -4.08 4.09 -0.09 -4.62 2.96 -0.54 -4.36 118.68 112.04 3dcq s LEU 87 Ca 0.00 0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 54.29 3dcq s LEU 87 Cb 0.00 -2.46 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 3dcq s LEU 87 CO 0.00 -0.13 -0.06 0.20 -1.32 0.00 0.00 176.35 175.04 3dcq s ASN 88 N 1.33 4.67 -0.08 3.68 0.01 0.36 -0.42 114.94 124.49 3dcq s ASN 88 Ca 0.17 -0.05 0.01 0.00 -0.71 0.00 0.00 52.86 52.28 3dcq s ASN 88 Cb -0.15 -1.35 0.02 0.00 0.41 0.00 0.00 41.25 40.18 3dcq s ASN 88 CO 0.09 0.31 -0.11 -0.36 -1.51 0.00 0.00 177.10 175.52 3dcq s PHE 89 N -0.49 1.49 -0.23 2.20 0.40 -0.36 -1.93 117.98 119.06 3dcq s PHE 89 Ca 0.07 -0.62 -0.04 0.00 -0.60 0.00 0.00 56.93 55.74 3dcq s PHE 89 Cb -0.12 -1.14 -0.01 0.00 0.51 0.00 0.00 43.02 42.26 3dcq s PHE 89 CO 0.02 -0.36 -0.03 0.00 0.70 0.00 0.00 175.22 175.55 3dcq s ALA 90 N 1.00 2.85 -0.06 5.36 0.00 0.96 -0.84 121.76 131.03 3dcq s ALA 90 Ca -0.08 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 50.70 3dcq s ALA 90 Cb -0.15 -1.76 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 3dcq s ALA 90 CO -0.00 -0.47 -0.07 -0.51 0.00 0.00 0.00 175.76 174.71 3dcq s LEU 91 N 1.49 3.18 -0.02 0.00 1.43 0.97 -0.51 118.68 125.22 3dcq s LEU 91 Ca 0.06 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 3dcq s LEU 91 Cb -0.15 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.37 3dcq s LEU 91 CO -0.02 0.35 -0.04 -0.69 0.23 0.00 0.00 176.35 176.18 3dcq s VAL 92 N -0.83 0.37 0.31 -1.59 1.01 0.23 -1.90 120.40 118.00 3dcq s VAL 92 Ca 0.13 -0.13 0.11 0.00 0.00 0.00 0.00 61.98 62.09 3dcq s VAL 92 Cb -0.11 -0.37 -0.06 0.00 0.00 0.00 0.00 36.38 35.85 3dcq s VAL 92 CO 0.02 0.14 -0.15 -0.83 0.00 0.00 0.00 175.10 174.28 3dcq s GLY 93 N 0.35 2.02 -0.01 4.51 0.00 0.11 -0.91 107.32 113.40 3dcq s GLY 93 Ca -0.04 -1.97 -0.18 0.00 0.00 0.00 0.00 44.72 42.53 3dcq s GLY 93 CO -0.00 -1.99 0.39 -1.35 0.00 0.00 0.00 173.10 170.14 3dcq s SER 94 N -3.56 -0.28 -0.11 1.64 1.04 -0.74 -1.40 113.70 110.28 3dcq s SER 94 Ca 0.31 0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.94 3dcq s SER 94 Cb -0.02 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.48 3dcq s SER 94 CO 0.16 -0.51 -0.16 -0.70 0.98 0.00 0.00 173.24 173.00 3dcq s GLU 95 N -1.50 2.32 0.00 4.02 2.56 -0.17 -1.96 118.70 123.98 3dcq s GLU 95 Ca -0.12 -0.60 0.15 0.00 0.00 0.00 0.00 54.97 54.40 3dcq s GLU 95 Cb -0.04 -1.96 0.07 0.00 2.00 0.00 0.00 34.13 34.20 3dcq s GLU 95 CO 0.04 -0.06 0.91 -0.40 -0.56 0.00 0.00 175.26 175.19 3dcq n ASP 96 N 4.20 1.99 0.00 -1.70 5.68 -1.26 -1.73 116.55 123.73 3dcq n ASP 96 Ca -0.19 -1.49 0.00 0.00 -0.50 0.00 0.00 54.79 52.61 3dcq n ASP 96 Cb 0.51 0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 3dcq n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dcq n GLY 97 N 0.94 5.07 0.00 6.12 0.00 -1.26 -5.05 105.19 111.01 3dcq n GLY 97 Ca 0.08 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3dcq n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dcq n THR 98 N 0.00 0.00 0.75 2.61 -2.24 -1.26 -4.69 114.28 109.45 3dcq n THR 98 Ca 0.00 -0.49 0.12 0.00 -2.27 0.00 0.00 64.05 61.41 3dcq n THR 98 Cb 0.00 1.00 0.49 0.00 -2.10 0.00 0.00 70.33 69.72 3dcq n THR 98 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3dcq n ASP 99 N -0.93 0.17 -3.61 3.42 5.75 -1.26 -4.92 116.55 115.17 3dcq n ASP 99 Ca 0.00 0.52 -0.27 0.00 -0.01 0.00 0.00 54.79 55.04 3dcq n ASP 99 Cb 0.00 -0.57 0.03 0.00 -1.03 0.00 0.00 41.12 39.56 3dcq n ASP 99 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3dcq n ASN 100 N -1.67 -5.19 0.02 -1.12 5.03 -1.26 -4.85 115.26 106.22 3dcq n ASN 100 Ca 0.05 -0.58 0.13 0.00 0.87 0.00 0.00 54.58 55.05 3dcq n ASN 100 Cb 0.29 -4.15 0.36 0.00 -1.02 0.00 0.00 39.78 35.26 3dcq n ASN 100 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3dcq n ASP 101 N -2.72 0.41 -2.34 6.41 5.75 -1.26 -4.93 116.55 117.87 3dcq n ASP 101 Ca 0.00 0.10 -0.10 0.00 -0.01 0.00 0.00 54.79 54.78 3dcq n ASP 101 Cb 0.55 -0.06 -0.01 0.00 -1.03 0.00 0.00 41.12 40.57 3dcq n ASP 101 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3dcq n TYR 102 N -1.66 -1.44 -0.11 2.11 4.01 -1.26 -4.80 117.16 114.01 3dcq n TYR 102 Ca 0.06 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.82 3dcq n TYR 102 Cb 0.36 -2.37 0.06 0.00 -0.31 0.00 0.00 39.34 37.07 3dcq n TYR 102 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3dcq n ASN 103 N -1.59 2.32 -0.26 7.72 6.94 -1.14 -1.79 115.26 127.47 3dcq n ASN 103 Ca -0.11 -2.06 0.01 0.00 -0.02 0.00 0.00 54.58 52.40 3dcq n ASN 103 Cb 0.56 -0.09 0.13 0.00 -2.36 0.00 0.00 39.78 38.02 3dcq n ASN 103 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3dcq h ASP 104 N 0.64 0.56 -3.37 0.53 3.32 -1.51 -3.21 116.42 113.38 3dcq h ASP 104 Ca 0.00 0.05 -0.38 0.00 0.02 0.00 0.00 57.03 56.71 3dcq h ASP 104 Cb 0.60 -0.06 -0.37 0.00 0.22 0.00 0.00 39.33 39.73 3dcq h ASP 104 CO 0.00 0.33 -0.75 0.00 -1.72 0.00 0.00 179.24 177.11 3dcq s ALA 105 N -6.06 0.42 -0.12 3.45 0.00 -1.25 -1.29 121.76 116.90 3dcq s ALA 105 Ca -0.13 0.07 0.01 0.00 0.00 0.00 0.00 51.96 51.91 3dcq s ALA 105 Cb 0.18 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 3dcq s ALA 105 CO 0.77 -0.31 -0.15 0.08 0.00 0.00 0.00 175.76 176.15 3dcq s VAL 106 N 1.64 2.88 -0.06 0.00 1.01 0.59 -2.33 120.40 124.14 3dcq s VAL 106 Ca -0.01 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.29 3dcq s VAL 106 Cb -0.13 -2.19 -0.00 0.00 0.00 0.00 0.00 36.38 34.06 3dcq s VAL 106 CO -0.03 0.53 -0.21 -0.69 0.00 0.00 0.00 175.10 174.70 3dcq s VAL 107 N 0.30 1.74 -0.13 2.92 1.01 -0.09 -0.24 120.40 125.91 3dcq s VAL 107 Ca -0.11 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.02 3dcq s VAL 107 Cb -0.16 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.74 3dcq s VAL 107 CO 0.06 0.49 -0.20 -0.69 0.00 0.00 0.00 175.10 174.76 3dcq s VAL 108 N 0.10 1.86 -0.12 2.92 1.01 0.03 -0.60 120.40 125.59 3dcq s VAL 108 Ca -0.08 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 3dcq s VAL 108 Cb -0.14 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 3dcq s VAL 108 CO 0.04 0.51 -0.10 -0.63 0.00 0.00 0.00 175.10 174.92 3dcq s ILE 109 N 0.89 3.36 0.02 2.22 1.01 0.33 -1.31 121.20 127.72 3dcq s ILE 109 Ca -0.07 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.05 3dcq s ILE 109 Cb -0.15 -2.42 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 3dcq s ILE 109 CO -0.02 0.53 -0.09 0.54 0.00 0.00 0.00 174.94 175.90 3dcq s ASN 110 N 0.14 1.06 0.13 3.58 4.22 -0.56 -0.03 114.94 123.48 3dcq s ASN 110 Ca -0.05 -0.34 -0.22 0.00 -2.14 0.00 0.00 52.86 50.11 3dcq s ASN 110 Cb -0.14 -0.06 0.06 0.00 1.28 0.00 0.00 41.25 42.39 3dcq s ASN 110 CO 0.04 -0.01 0.56 -1.66 -2.04 0.00 0.00 177.10 173.99 3dcq s TRP 111 N -0.70 -0.48 0.77 1.54 -2.14 -0.81 -0.93 118.94 116.19 3dcq s TRP 111 Ca -0.01 0.30 -0.12 0.00 2.66 0.00 0.00 56.10 58.94 3dcq s TRP 111 Cb -0.06 0.48 0.05 0.00 -3.10 0.00 0.00 33.47 30.84 3dcq s TRP 111 CO 0.00 -0.79 1.14 -1.25 -2.66 0.00 0.00 176.95 173.39 3dcq s PRO 112 N -3.52 2.32 0.50 3.25 0.04 -1.26 -0.49 135.00 135.84 3dcq s PRO 112 Ca 0.00 0.23 0.06 0.00 0.04 0.00 0.00 61.00 61.33 3dcq s PRO 112 Cb -0.00 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.61 3dcq s PRO 112 CO -0.11 -1.37 0.46 1.28 0.04 0.00 0.00 177.00 177.31 3dcq n LEU 113 N -3.18 0.00 0.00 -3.56 4.77 -1.26 -4.97 117.00 108.80 3dcq n LEU 113 Ca 0.08 -2.49 0.00 0.00 -0.03 0.00 0.00 56.01 53.57 3dcq n LEU 113 Cb 0.59 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3dcq n LEU 113 CO 0.57 -0.59 0.00 0.61 -1.33 0.00 0.00 177.39 176.65