#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ous s THR 2 N 0.00 2.46 0.07 0.00 2.01 -1.26 -5.03 115.64 113.90 1ous s THR 2 Ca 0.00 0.43 0.03 0.00 0.31 0.00 0.00 61.69 62.45 1ous s THR 2 Cb 0.00 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.22 1ous s THR 2 CO 0.00 0.07 -0.08 -1.10 -0.69 0.00 0.00 174.62 172.82 1ous s GLN 3 N -2.19 0.71 0.00 4.92 -1.52 -1.26 -4.85 119.66 115.47 1ous s GLN 3 Ca 0.56 -1.04 0.00 0.00 -1.95 0.00 0.00 55.36 52.93 1ous s GLN 3 Cb -0.40 -0.35 0.00 0.00 -0.22 0.00 0.00 33.01 32.03 1ous s GLN 3 CO 0.53 0.04 0.00 0.41 -0.25 0.00 0.00 175.29 176.02 1ous n GLY 4 N 0.79 0.75 3.37 3.09 0.00 -1.26 -4.94 105.19 106.99 1ous n GLY 4 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1ous n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ous s VAL 5 N -2.75 3.02 -0.00 1.61 1.01 -1.26 -0.94 120.40 121.08 1ous s VAL 5 Ca 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1ous s VAL 5 Cb 0.00 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1ous s VAL 5 CO 0.00 0.53 -0.07 -0.36 0.00 0.00 0.00 175.10 175.20 1ous s PHE 6 N 0.28 0.64 -0.41 5.22 0.08 0.35 -5.01 117.98 119.13 1ous s PHE 6 Ca -0.10 -0.15 -0.12 0.00 0.12 0.00 0.00 56.93 56.68 1ous s PHE 6 Cb -0.16 -0.41 0.04 0.00 -0.57 0.00 0.00 43.02 41.93 1ous s PHE 6 CO 0.06 -0.01 0.27 0.99 -0.10 0.00 0.00 175.22 176.42 1ous s THR 7 N -0.28 4.77 0.36 0.64 2.01 -1.26 -1.13 115.64 120.75 1ous s THR 7 Ca 0.02 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.13 1ous s THR 7 Cb -0.03 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 1ous s THR 7 CO -0.00 -0.35 0.52 -0.76 -0.69 0.00 0.00 174.62 173.33 1ous s LEU 8 N 1.57 3.89 0.48 4.42 1.02 0.47 -5.01 118.68 125.52 1ous s LEU 8 Ca 0.03 -0.10 -0.23 0.00 0.02 0.00 0.00 54.13 53.85 1ous s LEU 8 Cb -0.21 -2.83 -0.07 0.00 0.02 0.00 0.00 46.19 43.11 1ous s LEU 8 CO 0.07 -0.51 1.31 -2.16 0.02 0.00 0.00 176.35 175.08 1ous s PRO 9 N -4.26 3.55 0.71 1.29 0.04 -1.26 -4.48 135.00 130.59 1ous s PRO 9 Ca 0.46 2.14 -0.15 0.00 0.04 0.00 0.00 61.00 63.49 1ous s PRO 9 Cb -0.10 -2.46 0.03 0.00 0.04 0.00 0.00 34.50 32.01 1ous s PRO 9 CO 0.33 -0.83 1.19 0.00 0.04 0.00 0.00 177.00 177.73 1ous s ALA 10 N -1.33 2.18 -1.55 8.56 0.00 -1.26 -3.62 121.76 124.73 1ous s ALA 10 Ca 0.65 0.83 -0.06 0.00 0.00 0.00 0.00 51.96 53.38 1ous s ALA 10 Cb -0.38 -3.45 0.06 0.00 0.00 0.00 0.00 23.12 19.36 1ous s ALA 10 CO 0.46 -1.76 0.41 0.09 0.00 0.00 0.00 175.76 174.96 1ous n ASN 11 N -2.63 -0.82 -4.20 0.00 3.02 0.15 -4.90 115.26 105.86 1ous n ASN 11 Ca 0.13 -1.10 -0.29 0.00 -0.03 0.00 0.00 54.58 53.29 1ous n ASN 11 Cb 0.50 -2.49 -0.16 0.00 -0.61 0.00 0.00 39.78 37.02 1ous n ASN 11 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ous s THR 12 N -3.85 1.78 0.26 3.41 2.01 -1.24 -4.85 115.64 113.16 1ous s THR 12 Ca 0.25 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 1ous s THR 12 Cb -0.14 -1.52 -0.09 0.00 0.01 0.00 0.00 72.50 70.76 1ous s THR 12 CO 0.94 0.50 1.03 -0.13 -0.69 0.00 0.00 174.62 176.27 1ous s ARG 13 N 0.01 4.74 0.05 4.92 0.52 -1.26 -0.59 118.95 127.34 1ous s ARG 13 Ca -0.06 1.66 -0.04 0.00 -0.52 0.00 0.00 55.73 56.76 1ous s ARG 13 Cb -0.14 -3.24 -0.02 0.00 0.52 0.00 0.00 34.95 32.08 1ous s ARG 13 CO 0.04 0.34 0.07 -0.59 0.02 0.00 0.00 175.30 175.18 1ous s PHE 14 N -1.11 0.31 -0.01 -0.53 -0.71 0.14 -3.89 117.98 112.17 1ous s PHE 14 Ca 0.43 -0.73 -0.02 0.00 -1.04 0.00 0.00 56.93 55.57 1ous s PHE 14 Cb -0.29 -0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.27 1ous s PHE 14 CO 0.37 -0.41 0.17 0.20 -1.34 0.00 0.00 175.22 174.21 1ous s GLY 15 N -2.57 2.16 -0.06 1.99 0.00 -0.09 -0.90 107.32 107.86 1ous s GLY 15 Ca 0.01 -0.78 -0.00 0.00 0.00 0.00 0.00 44.72 43.95 1ous s GLY 15 CO -0.08 -0.66 -0.01 0.54 0.00 0.00 0.00 173.10 172.89 1ous s VAL 16 N -1.30 0.38 -0.03 1.40 0.11 -0.15 -1.38 120.40 119.43 1ous s VAL 16 Ca 0.27 0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.39 1ous s VAL 16 Cb -0.13 -0.49 0.01 0.00 -1.53 0.00 0.00 36.38 34.24 1ous s VAL 16 CO 0.18 0.23 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.19 1ous s THR 17 N 1.51 0.89 -0.04 5.04 2.01 -0.20 -1.30 115.64 123.56 1ous s THR 17 Ca -0.02 -0.40 0.07 0.00 0.31 0.00 0.00 61.69 61.64 1ous s THR 17 Cb -0.13 -0.80 -0.02 0.00 0.01 0.00 0.00 72.50 71.56 1ous s THR 17 CO -0.03 0.28 -0.24 0.00 -0.69 0.00 0.00 174.62 173.94 1ous s ALA 18 N 0.29 2.23 0.05 7.40 0.00 0.30 -0.85 121.76 131.18 1ous s ALA 18 Ca -0.05 -1.08 0.09 0.00 0.00 0.00 0.00 51.96 50.92 1ous s ALA 18 Cb -0.10 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 1ous s ALA 18 CO 0.01 0.50 -0.26 -0.06 0.00 0.00 0.00 175.76 175.95 1ous s PHE 19 N -0.48 2.34 -0.06 0.00 0.08 0.63 -1.06 117.98 119.43 1ous s PHE 19 Ca 0.06 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 56.76 1ous s PHE 19 Cb -0.11 -1.39 -0.02 0.00 -0.57 0.00 0.00 43.02 40.93 1ous s PHE 19 CO 0.01 0.15 -0.20 0.00 -0.10 0.00 0.00 175.22 175.07 1ous s ALA 20 N -0.83 2.38 -0.42 5.36 0.00 -0.84 -1.11 121.76 126.30 1ous s ALA 20 Ca 0.12 -1.01 0.08 0.00 0.00 0.00 0.00 51.96 51.15 1ous s ALA 20 Cb -0.10 -0.83 0.28 0.00 0.00 0.00 0.00 23.12 22.47 1ous s ALA 20 CO 0.03 0.44 0.77 0.09 0.00 0.00 0.00 175.76 177.09 1ous n ASN 21 N 2.80 -0.87 -3.56 0.00 3.02 -0.33 -2.08 115.26 114.25 1ous n ASN 21 Ca -0.17 -3.10 -0.12 0.00 -0.03 0.00 0.00 54.58 51.16 1ous n ASN 21 Cb 0.52 0.43 -0.04 0.00 -0.61 0.00 0.00 39.78 40.08 1ous n ASN 21 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ous s SER 22 N -1.63 -0.39 0.52 6.41 0.15 0.18 -3.96 113.70 114.98 1ous s SER 22 Ca 0.33 -0.09 0.30 0.00 0.70 0.00 0.00 55.95 57.20 1ous s SER 22 Cb 0.25 0.51 1.13 0.00 -1.71 0.00 0.00 66.02 66.20 1ous s SER 22 CO -0.13 -0.85 1.90 0.77 1.20 0.00 0.00 173.24 176.13 1ous h SER 23 N 2.38 0.00 -2.57 5.45 4.64 -1.96 -3.33 113.55 118.17 1ous h SER 23 Ca -0.33 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.44 1ous h SER 23 Cb 1.26 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.31 1ous h SER 23 CO 0.43 0.03 -0.51 -0.83 -0.87 0.00 0.00 176.83 175.08 1ous s GLY 24 N -4.20 1.66 0.08 -0.77 0.00 -1.26 -4.93 107.32 97.90 1ous s GLY 24 Ca 0.02 -1.14 -0.31 0.00 0.00 0.00 0.00 44.72 43.29 1ous s GLY 24 CO 0.58 -1.15 1.56 -1.59 0.00 0.00 0.00 173.10 172.49 1ous s THR 25 N -1.79 3.12 -0.11 0.90 2.01 -1.26 -4.67 115.64 113.85 1ous s THR 25 Ca 0.33 0.65 -0.13 0.00 0.31 0.00 0.00 61.69 62.85 1ous s THR 25 Cb -0.10 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 68.94 1ous s THR 25 CO 0.26 0.01 0.31 -1.10 -0.69 0.00 0.00 174.62 173.41 1ous s GLN 26 N 2.13 4.04 -0.31 4.92 -1.52 -0.01 -4.30 119.66 124.60 1ous s GLN 26 Ca 0.70 0.16 -0.03 0.00 -1.95 0.00 0.00 55.36 54.24 1ous s GLN 26 Cb -0.38 -3.33 0.05 0.00 -0.22 0.00 0.00 33.01 29.12 1ous s GLN 26 CO 0.31 0.44 0.02 0.99 -0.25 0.00 0.00 175.29 176.80 1ous s THR 27 N -0.18 3.16 -0.25 -0.19 2.01 0.03 -1.88 115.64 118.35 1ous s THR 27 Ca 0.19 -1.33 -0.06 0.00 0.31 0.00 0.00 61.69 60.79 1ous s THR 27 Cb -0.14 -2.81 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 1ous s THR 27 CO 0.07 -0.13 0.03 -0.69 -0.69 0.00 0.00 174.62 173.21 1ous s VAL 28 N 1.28 3.91 -0.08 3.82 1.01 0.21 -1.31 120.40 129.24 1ous s VAL 28 Ca -0.04 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1ous s VAL 28 Cb -0.20 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 1ous s VAL 28 CO -0.00 0.33 -0.13 0.21 0.00 0.00 0.00 175.10 175.51 1ous s ASN 29 N 1.55 4.10 -0.22 3.32 2.47 0.36 -0.95 114.94 125.57 1ous s ASN 29 Ca 0.06 -0.22 -0.02 0.00 0.42 0.00 0.00 52.86 53.09 1ous s ASN 29 Cb -0.15 -1.16 0.01 0.00 -1.45 0.00 0.00 41.25 38.50 1ous s ASN 29 CO 0.01 0.28 -0.08 -0.69 -3.72 0.00 0.00 177.10 172.90 1ous s VAL 30 N -0.34 2.94 -0.21 -5.21 1.01 -0.16 -0.54 120.40 117.89 1ous s VAL 30 Ca 0.03 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 1ous s VAL 30 Cb -0.13 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 1ous s VAL 30 CO 0.02 0.38 0.11 -0.76 0.00 0.00 0.00 175.10 174.86 1ous s LEU 31 N 1.39 4.00 -0.19 3.92 1.43 0.62 -0.53 118.68 129.31 1ous s LEU 31 Ca 0.04 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1ous s LEU 31 Cb -0.15 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.05 1ous s LEU 31 CO -0.06 0.13 -0.16 -0.69 0.23 0.00 0.00 176.35 175.81 1ous s VAL 32 N 0.63 2.36 -1.51 -1.59 1.01 0.19 -0.82 120.40 120.67 1ous s VAL 32 Ca 0.06 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 1ous s VAL 32 Cb -0.12 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1ous s VAL 32 CO 0.01 0.47 0.45 0.59 0.00 0.00 0.00 175.10 176.62 1ous n ASN 33 N 4.65 -5.82 -0.17 3.32 3.02 -0.18 -1.89 115.26 118.19 1ous n ASN 33 Ca -0.20 -0.21 -0.02 0.00 -0.03 0.00 0.00 54.58 54.11 1ous n ASN 33 Cb 0.50 -4.69 -0.01 0.00 -0.61 0.00 0.00 39.78 34.97 1ous n ASN 33 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ous n ASN 34 N -2.14 -4.15 -4.29 6.41 3.02 -1.26 -5.02 115.26 107.83 1ous n ASN 34 Ca -0.14 0.05 -0.30 0.00 -0.03 0.00 0.00 54.58 54.17 1ous n ASN 34 Cb 0.63 -1.84 -0.16 0.00 -0.61 0.00 0.00 39.78 37.80 1ous n ASN 34 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ous s GLU 35 N -1.30 1.96 0.04 3.52 8.01 -0.79 -5.03 118.70 125.12 1ous s GLU 35 Ca 0.00 -0.90 -0.31 0.00 0.01 0.00 0.00 54.97 53.77 1ous s GLU 35 Cb 0.00 -1.92 -0.10 0.00 -4.31 0.00 0.00 34.13 27.80 1ous s GLU 35 CO 0.00 0.52 1.93 2.41 0.01 0.00 0.00 175.26 180.14 1ous n THR 36 N 2.41 0.65 -0.00 3.63 -1.04 -1.26 -0.64 114.28 118.03 1ous n THR 36 Ca -0.16 -0.12 0.02 0.00 -2.04 0.00 0.00 64.05 61.75 1ous n THR 36 Cb 0.52 -2.21 -0.04 0.00 -1.82 0.00 0.00 70.33 66.78 1ous n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ous n ALA 37 N 6.97 2.14 -3.54 2.41 0.00 0.31 -4.89 120.51 123.91 1ous n ALA 37 Ca 0.20 -0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.35 1ous n ALA 37 Cb 0.38 -0.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.65 1ous n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ous s ALA 38 N -2.31 -1.82 -0.09 0.00 0.00 -1.18 -5.01 121.76 111.35 1ous s ALA 38 Ca -0.02 1.40 -0.05 0.00 0.00 0.00 0.00 51.96 53.29 1ous s ALA 38 Cb 0.03 -0.23 0.04 0.00 0.00 0.00 0.00 23.12 22.96 1ous s ALA 38 CO 0.20 -0.35 0.21 0.99 0.00 0.00 0.00 175.76 176.81 1ous s THR 39 N -1.19 -0.03 -0.02 0.00 2.01 -1.26 -0.99 115.64 114.16 1ous s THR 39 Ca -0.08 0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.10 1ous s THR 39 Cb -0.00 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 72.17 1ous s THR 39 CO 0.07 0.05 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.48 1ous s PHE 40 N 0.91 1.90 -0.04 4.92 0.08 -0.12 -4.99 117.98 120.64 1ous s PHE 40 Ca -0.07 -0.38 -0.01 0.00 0.12 0.00 0.00 56.93 56.60 1ous s PHE 40 Cb -0.08 -1.23 0.03 0.00 -0.57 0.00 0.00 43.02 41.17 1ous s PHE 40 CO -0.05 -0.05 0.03 -1.12 -0.10 0.00 0.00 175.22 173.93 1ous s SER 41 N -0.45 0.84 -0.14 1.36 0.01 -1.26 -0.62 113.70 113.44 1ous s SER 41 Ca 0.07 0.02 -0.34 0.00 1.31 0.00 0.00 55.95 57.01 1ous s SER 41 Cb -0.09 -0.20 0.13 0.00 0.21 0.00 0.00 66.02 66.08 1ous s SER 41 CO -0.00 -0.18 1.20 -0.83 0.41 0.00 0.00 173.24 173.83 1ous s GLY 42 N 1.65 -0.32 -0.05 3.44 0.00 -0.79 -4.96 107.32 106.29 1ous s GLY 42 Ca -0.01 1.38 0.05 0.00 0.00 0.00 0.00 44.72 46.14 1ous s GLY 42 CO -0.03 0.44 -0.21 1.62 0.00 0.00 0.00 173.10 174.92 1ous s GLN 43 N -2.48 2.20 -0.14 2.90 -0.44 -1.26 -0.83 119.66 119.60 1ous s GLN 43 Ca 0.10 -0.76 -0.29 0.00 -2.50 0.00 0.00 55.36 51.90 1ous s GLN 43 Cb 0.00 -1.87 0.10 0.00 -1.64 0.00 0.00 33.01 29.60 1ous s GLN 43 CO -0.05 0.31 0.86 0.45 0.50 0.00 0.00 175.29 177.36 1ous s SER 44 N -0.05 -0.52 -0.03 6.67 0.15 -1.25 -5.01 113.70 113.67 1ous s SER 44 Ca -0.04 0.66 0.05 0.00 0.70 0.00 0.00 55.95 57.31 1ous s SER 44 Cb -0.13 0.55 0.07 0.00 -1.71 0.00 0.00 66.02 64.80 1ous s SER 44 CO 0.03 -0.41 1.03 0.35 1.20 0.00 0.00 173.24 175.44 1ous n THR 45 N 1.12 1.20 -1.87 6.45 -2.24 -1.26 -0.64 114.28 117.04 1ous n THR 45 Ca -0.14 -1.30 0.01 0.00 -2.27 0.00 0.00 64.05 60.35 1ous n THR 45 Cb 0.57 0.32 0.14 0.00 -2.10 0.00 0.00 70.33 69.26 1ous n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ous n ASN 46 N -0.73 2.10 -3.03 3.42 3.02 -1.26 -4.87 115.26 113.92 1ous n ASN 46 Ca 0.04 -3.49 -0.22 0.00 -0.03 0.00 0.00 54.58 50.88 1ous n ASN 46 Cb 0.36 -0.46 0.03 0.00 -0.61 0.00 0.00 39.78 39.10 1ous n ASN 46 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ous n ASN 47 N -0.77 -5.89 -4.75 6.41 5.15 -0.88 -4.94 115.26 109.59 1ous n ASN 47 Ca 0.20 -0.28 -0.38 0.00 -0.60 0.00 0.00 54.58 53.52 1ous n ASN 47 Cb 0.82 -4.77 0.03 0.00 -0.53 0.00 0.00 39.78 35.33 1ous n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ous s ALA 48 N -3.15 2.86 -0.75 5.20 0.00 -1.23 -4.62 121.76 120.08 1ous s ALA 48 Ca 0.30 1.29 -0.22 0.00 0.00 0.00 0.00 51.96 53.33 1ous s ALA 48 Cb -0.14 -3.55 0.08 0.00 0.00 0.00 0.00 23.12 19.51 1ous s ALA 48 CO 0.37 -1.28 1.08 0.08 0.00 0.00 0.00 175.76 176.01 1ous s VAL 49 N -1.33 4.29 -1.86 0.00 1.01 -1.26 -1.98 120.40 119.28 1ous s VAL 49 Ca 0.70 -0.54 0.28 0.00 0.00 0.00 0.00 61.98 62.42 1ous s VAL 49 Cb -0.39 -4.77 0.73 0.00 0.00 0.00 0.00 36.38 31.95 1ous s VAL 49 CO 0.47 -1.56 2.02 2.30 0.00 0.00 0.00 175.10 178.33 1ous n ILE 50 N 5.98 0.03 0.00 2.22 -5.35 -0.23 -4.84 119.36 117.17 1ous n ILE 50 Ca 0.06 0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.55 1ous n ILE 50 Cb 0.47 -0.56 0.00 0.00 -1.74 0.00 0.00 39.64 37.81 1ous n ILE 50 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ous n GLY 51 N 0.85 1.71 3.59 3.28 0.00 -1.23 -4.45 105.19 108.94 1ous n GLY 51 Ca 0.19 -0.08 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 1ous n GLY 51 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ous s THR 52 N -1.31 -0.86 0.17 2.61 -1.32 -1.26 -0.54 115.64 113.13 1ous s THR 52 Ca 0.00 0.02 -0.06 0.00 -1.21 0.00 0.00 61.69 60.45 1ous s THR 52 Cb 0.00 -0.95 -0.02 0.00 -1.51 0.00 0.00 72.50 70.02 1ous s THR 52 CO 0.00 0.01 0.21 -1.10 -2.21 0.00 0.00 174.62 171.53 1ous s GLN 53 N 2.75 1.13 -0.17 7.08 -0.21 -0.42 -4.99 119.66 124.83 1ous s GLN 53 Ca -0.06 -1.34 -0.03 0.00 0.02 0.00 0.00 55.36 53.96 1ous s GLN 53 Cb -0.11 0.33 -0.02 0.00 1.00 0.00 0.00 33.01 34.21 1ous s GLN 53 CO -0.18 -0.39 -0.06 0.08 -2.12 0.00 0.00 175.29 172.62 1ous s VAL 54 N -4.03 3.51 0.29 1.09 1.01 -1.26 -0.97 120.40 120.04 1ous s VAL 54 Ca 0.23 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.79 1ous s VAL 54 Cb 0.05 -2.54 -0.06 0.00 0.00 0.00 0.00 36.38 33.83 1ous s VAL 54 CO 0.03 0.48 -0.03 -0.76 0.00 0.00 0.00 175.10 174.82 1ous s LEU 55 N 0.69 2.44 -0.19 3.92 1.43 -0.07 -4.94 118.68 121.96 1ous s LEU 55 Ca -0.03 -1.23 -0.07 0.00 -1.03 0.00 0.00 54.13 51.77 1ous s LEU 55 Cb -0.15 -0.59 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 1ous s LEU 55 CO 0.02 -0.40 0.05 0.21 0.23 0.00 0.00 176.35 176.46 1ous s ASN 56 N -3.46 5.40 0.00 2.29 3.84 -1.26 -0.69 114.94 121.07 1ous s ASN 56 Ca 0.31 -0.01 0.05 0.00 0.21 0.00 0.00 52.86 53.41 1ous s ASN 56 Cb 0.05 -1.93 0.21 0.00 -0.55 0.00 0.00 41.25 39.03 1ous s ASN 56 CO 0.13 0.13 1.10 -1.54 -2.79 0.00 0.00 177.10 174.12 1ous n SER 57 N 3.82 0.00 -0.87 -4.21 3.41 0.24 -4.89 113.62 111.12 1ous n SER 57 Ca -0.17 0.41 0.09 0.00 -0.26 0.00 0.00 58.87 58.95 1ous n SER 57 Cb 0.52 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 64.01 1ous n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ous n GLY 58 N -0.98 -1.84 0.36 5.00 0.00 -1.26 -1.71 105.19 104.76 1ous n GLY 58 Ca 0.01 -1.25 0.12 0.00 0.00 0.00 0.00 46.02 44.91 1ous n GLY 58 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ous h SER 59 N -0.64 0.41 0.43 1.61 4.64 -1.94 0.43 113.55 118.49 1ous h SER 59 Ca 0.01 0.01 -0.30 0.00 -0.47 0.00 0.00 61.79 61.04 1ous h SER 59 Cb 0.63 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 62.60 1ous h SER 59 CO 0.00 0.24 -1.76 -1.54 -0.87 0.00 0.00 176.83 172.91 1ous n SER 60 N -4.47 1.03 0.00 4.97 3.41 -1.26 -4.71 113.62 112.59 1ous n SER 60 Ca 0.11 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1ous n SER 60 Cb 0.38 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1ous n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ous n GLY 61 N 1.62 0.89 3.70 5.00 0.00 -0.69 -4.70 105.19 111.00 1ous n GLY 61 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1ous n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ous s LYS 62 N -0.07 4.46 -0.08 1.61 2.20 -1.26 -0.39 119.74 126.21 1ous s LYS 62 Ca 0.00 1.36 0.02 0.00 -0.36 0.00 0.00 55.97 56.98 1ous s LYS 62 Cb 0.00 -3.51 0.02 0.00 -1.51 0.00 0.00 37.83 32.82 1ous s LYS 62 CO 0.00 -0.21 -0.12 0.08 -0.36 0.00 0.00 175.35 174.74 1ous s VAL 63 N 1.63 1.18 -0.05 4.02 1.01 -0.29 -1.01 120.40 126.89 1ous s VAL 63 Ca 0.48 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 62.03 1ous s VAL 63 Cb -0.19 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.09 1ous s VAL 63 CO 0.21 0.37 -0.13 -1.58 0.00 0.00 0.00 175.10 173.97 1ous s GLN 64 N 0.96 1.60 -0.15 2.72 0.74 0.00 -0.50 119.66 125.03 1ous s GLN 64 Ca -0.09 -0.46 -0.06 0.00 0.05 0.00 0.00 55.36 54.80 1ous s GLN 64 Cb -0.15 -1.37 -0.04 0.00 1.10 0.00 0.00 33.01 32.56 1ous s GLN 64 CO 0.00 0.11 0.05 0.08 -0.55 0.00 0.00 175.29 174.99 1ous s VAL 65 N 0.38 4.74 -0.03 1.34 1.01 -0.11 -0.28 120.40 127.45 1ous s VAL 65 Ca -0.09 -0.06 0.06 0.00 0.00 0.00 0.00 61.98 61.89 1ous s VAL 65 Cb -0.13 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 1ous s VAL 65 CO 0.03 0.51 -0.21 -1.10 0.00 0.00 0.00 175.10 174.33 1ous s GLN 66 N -0.08 1.86 -0.03 2.72 -0.21 0.30 -4.81 119.66 119.42 1ous s GLN 66 Ca 0.06 -0.77 0.02 0.00 0.02 0.00 0.00 55.36 54.69 1ous s GLN 66 Cb -0.12 -1.74 0.01 0.00 1.00 0.00 0.00 33.01 32.16 1ous s GLN 66 CO 0.01 0.42 -0.07 0.08 -2.12 0.00 0.00 175.29 173.61 1ous s VAL 67 N -0.38 0.66 0.06 1.09 1.01 -1.26 -0.49 120.40 121.09 1ous s VAL 67 Ca 0.05 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 1ous s VAL 67 Cb -0.09 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 1ous s VAL 67 CO 0.00 0.23 0.10 -0.94 0.00 0.00 0.00 175.10 174.48 1ous s SER 68 N 0.41 0.23 -0.25 3.32 1.04 -0.43 -0.47 113.70 117.55 1ous s SER 68 Ca -0.06 -0.67 -0.01 0.00 0.48 0.00 0.00 55.95 55.69 1ous s SER 68 Cb -0.10 0.26 0.07 0.00 0.10 0.00 0.00 66.02 66.35 1ous s SER 68 CO 0.00 -0.60 0.03 -0.69 0.98 0.00 0.00 173.24 172.96 1ous s VAL 69 N -3.29 1.03 -1.48 5.02 1.01 -0.18 -0.79 120.40 121.72 1ous s VAL 69 Ca 0.01 -1.11 -0.06 0.00 0.00 0.00 0.00 61.98 60.82 1ous s VAL 69 Cb 0.03 -1.54 0.05 0.00 0.00 0.00 0.00 36.38 34.91 1ous s VAL 69 CO -0.08 -0.33 0.62 0.59 0.00 0.00 0.00 175.10 175.90 1ous n ASN 70 N 4.83 -1.76 0.00 3.32 5.03 -1.26 -1.58 115.26 123.83 1ous n ASN 70 Ca -0.07 -0.95 0.00 0.00 0.87 0.00 0.00 54.58 54.43 1ous n ASN 70 Cb 0.44 -3.26 0.00 0.00 -1.02 0.00 0.00 39.78 35.94 1ous n ASN 70 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ous n GLY 71 N -1.76 1.00 3.46 7.41 0.00 -1.26 -5.04 105.19 109.01 1ous n GLY 71 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 1ous n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ous s ARG 72 N -0.61 3.29 0.26 1.61 3.52 -0.62 -5.06 118.95 121.33 1ous s ARG 72 Ca 0.00 -0.77 -0.30 0.00 -0.13 0.00 0.00 55.73 54.53 1ous s ARG 72 Cb 0.00 -3.71 -0.10 0.00 -1.56 0.00 0.00 34.95 29.58 1ous s ARG 72 CO 0.00 -0.49 1.44 -2.14 -0.81 0.00 0.00 175.30 173.29 1ous s PRO 73 N 1.65 4.27 0.16 5.12 0.02 -1.26 -1.01 135.00 143.95 1ous s PRO 73 Ca 0.05 2.31 -0.15 0.00 0.02 0.00 0.00 61.00 63.22 1ous s PRO 73 Cb -0.18 -3.10 -0.07 0.00 0.02 0.00 0.00 34.50 31.17 1ous s PRO 73 CO 0.08 -0.41 0.58 -1.12 -0.33 0.00 0.00 177.00 175.79 1ous s SER 74 N 0.31 6.85 0.24 2.53 0.01 0.38 -4.91 113.70 119.10 1ous s SER 74 Ca 0.59 1.12 -0.30 0.00 1.31 0.00 0.00 55.95 58.67 1ous s SER 74 Cb -0.42 -2.31 -0.09 0.00 0.21 0.00 0.00 66.02 63.42 1ous s SER 74 CO 0.44 0.08 1.06 -0.62 0.41 0.00 0.00 173.24 174.62 1ous s ASP 75 N -1.73 7.35 0.18 2.44 2.15 -1.05 -4.75 116.67 121.26 1ous s ASP 75 Ca 0.39 2.14 0.08 0.00 0.43 0.00 0.00 52.55 55.59 1ous s ASP 75 Cb -0.15 -2.62 -0.04 0.00 -0.30 0.00 0.00 42.92 39.81 1ous s ASP 75 CO 0.19 -0.10 -0.05 -0.76 -0.17 0.00 0.00 175.17 174.29 1ous s LEU 76 N -1.03 3.14 0.01 -1.34 1.43 -1.26 -1.51 118.68 118.12 1ous s LEU 76 Ca 0.45 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 1ous s LEU 76 Cb -0.30 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 1ous s LEU 76 CO 0.37 0.09 -0.08 0.54 0.23 0.00 0.00 176.35 177.50 1ous s VAL 77 N -1.76 0.64 0.24 -1.59 0.11 -0.57 -4.81 120.40 112.66 1ous s VAL 77 Ca 0.26 -0.57 -0.19 0.00 -2.93 0.00 0.00 61.98 58.56 1ous s VAL 77 Cb -0.09 -0.58 0.02 0.00 -1.53 0.00 0.00 36.38 34.20 1ous s VAL 77 CO 0.17 0.03 0.63 -0.94 -3.33 0.00 0.00 175.10 171.66 1ous s SER 78 N -0.60 -0.27 -0.08 3.54 1.04 -1.26 -0.46 113.70 115.61 1ous s SER 78 Ca 0.00 -0.56 -0.31 0.00 0.48 0.00 0.00 55.95 55.56 1ous s SER 78 Cb -0.05 0.66 0.12 0.00 0.10 0.00 0.00 66.02 66.85 1ous s SER 78 CO 0.00 -1.21 1.04 0.00 0.98 0.00 0.00 173.24 174.05 1ous s ALA 79 N -3.90 -1.94 -0.02 5.32 0.00 -0.82 -4.93 121.76 115.47 1ous s ALA 79 Ca 0.11 1.22 0.07 0.00 0.00 0.00 0.00 51.96 53.36 1ous s ALA 79 Cb -0.04 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 1ous s ALA 79 CO 0.03 -0.68 -0.23 -1.14 0.00 0.00 0.00 175.76 173.75 1ous s GLN 80 N -2.80 1.90 0.01 0.00 0.74 -1.26 -0.30 119.66 117.95 1ous s GLN 80 Ca 0.07 -0.81 0.03 0.00 0.05 0.00 0.00 55.36 54.71 1ous s GLN 80 Cb -0.01 -1.80 -0.01 0.00 1.10 0.00 0.00 33.01 32.29 1ous s GLN 80 CO -0.06 0.46 -0.11 0.54 -0.55 0.00 0.00 175.29 175.57 1ous s VAL 81 N -0.47 0.84 -0.11 1.34 0.11 0.06 -4.99 120.40 117.17 1ous s VAL 81 Ca 0.07 -0.60 0.02 0.00 -2.93 0.00 0.00 61.98 58.54 1ous s VAL 81 Cb -0.09 -0.73 0.01 0.00 -1.53 0.00 0.00 36.38 34.04 1ous s VAL 81 CO -0.00 0.13 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.10 1ous s ILE 82 N -0.46 1.58 -0.06 7.04 1.01 -1.26 -1.08 121.20 127.96 1ous s ILE 82 Ca 0.02 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 1ous s ILE 82 Cb -0.05 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 1ous s ILE 82 CO 0.00 0.46 0.03 -0.76 0.00 0.00 0.00 174.94 174.67 1ous s LEU 83 N 0.92 3.73 -1.57 2.97 1.43 0.32 -4.52 118.68 121.97 1ous s LEU 83 Ca -0.08 0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 53.00 1ous s LEU 83 Cb -0.15 -1.96 0.18 0.00 0.03 0.00 0.00 46.19 44.29 1ous s LEU 83 CO -0.01 0.35 0.54 1.07 0.23 0.00 0.00 176.35 178.53 1ous n THR 84 N 1.84 -0.22 -1.72 5.49 5.66 -1.26 -1.24 114.28 122.83 1ous n THR 84 Ca -0.17 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.67 1ous n THR 84 Cb 0.53 -0.70 -0.05 0.00 -1.55 0.00 0.00 70.33 68.57 1ous n THR 84 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1ous n ASN 85 N -2.35 -4.30 0.00 1.09 5.15 -1.26 -4.66 115.26 108.93 1ous n ASN 85 Ca 0.09 0.32 0.00 0.00 -0.60 0.00 0.00 54.58 54.38 1ous n ASN 85 Cb 0.47 -3.84 0.00 0.00 -0.53 0.00 0.00 39.78 35.88 1ous n ASN 85 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1ous n GLU 86 N -2.27 0.00 -3.19 1.20 -0.58 -0.37 -5.07 120.64 110.36 1ous n GLU 86 Ca -0.17 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.16 1ous n GLU 86 Cb 0.55 -0.37 -0.07 0.00 -0.57 0.00 0.00 31.44 30.98 1ous n GLU 86 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1ous s LEU 87 N -1.89 4.23 -0.10 -4.62 2.96 -0.46 -4.42 118.68 114.38 1ous s LEU 87 Ca 0.00 0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 54.09 1ous s LEU 87 Cb 0.00 -2.69 -0.03 0.00 0.50 0.00 0.00 46.19 43.97 1ous s LEU 87 CO 0.00 -0.47 0.00 0.20 -1.32 0.00 0.00 176.35 174.76 1ous s ASN 88 N 1.71 5.22 -0.03 3.68 -0.87 -0.32 -0.52 114.94 123.81 1ous s ASN 88 Ca 0.22 0.12 0.02 0.00 -1.57 0.00 0.00 52.86 51.65 1ous s ASN 88 Cb -0.15 -1.53 0.01 0.00 -0.02 0.00 0.00 41.25 39.55 1ous s ASN 88 CO 0.13 0.35 -0.10 -0.36 -2.57 0.00 0.00 177.10 174.54 1ous s PHE 89 N -0.69 1.08 -0.16 2.20 0.40 -0.24 -2.02 117.98 118.55 1ous s PHE 89 Ca 0.11 -0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.15 1ous s PHE 89 Cb -0.12 -0.78 0.00 0.00 0.51 0.00 0.00 43.02 42.63 1ous s PHE 89 CO 0.02 -0.14 -0.16 0.00 0.70 0.00 0.00 175.22 175.64 1ous s ALA 90 N 0.31 2.45 -0.04 5.36 0.00 0.32 -0.77 121.76 129.40 1ous s ALA 90 Ca -0.06 -1.07 0.05 0.00 0.00 0.00 0.00 51.96 50.89 1ous s ALA 90 Cb -0.10 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 1ous s ALA 90 CO 0.01 -0.07 -0.19 -0.51 0.00 0.00 0.00 175.76 175.01 1ous s LEU 91 N 0.87 2.47 -0.01 0.00 1.43 0.59 -0.63 118.68 123.41 1ous s LEU 91 Ca -0.04 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1ous s LEU 91 Cb -0.15 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.60 1ous s LEU 91 CO -0.01 0.33 -0.02 -0.69 0.23 0.00 0.00 176.35 176.19 1ous s VAL 92 N -0.66 0.22 0.22 -1.59 1.01 -0.01 -1.95 120.40 117.64 1ous s VAL 92 Ca 0.10 -0.06 0.10 0.00 0.00 0.00 0.00 61.98 62.12 1ous s VAL 92 Cb -0.11 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 1ous s VAL 92 CO 0.00 0.09 -0.19 -0.83 0.00 0.00 0.00 175.10 174.17 1ous s GLY 93 N 0.29 1.64 -0.03 4.51 0.00 0.39 -0.94 107.32 113.18 1ous s GLY 93 Ca -0.03 -1.69 -0.13 0.00 0.00 0.00 0.00 44.72 42.87 1ous s GLY 93 CO -0.01 -1.76 0.29 -1.35 0.00 0.00 0.00 173.10 170.27 1ous s SER 94 N -3.07 -0.18 -0.10 1.64 1.04 -0.52 -1.50 113.70 110.99 1ous s SER 94 Ca 0.23 0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.83 1ous s SER 94 Cb -0.05 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.43 1ous s SER 94 CO 0.10 -0.38 -0.18 -0.70 0.98 0.00 0.00 173.24 173.06 1ous s GLU 95 N -1.07 2.47 -0.17 4.02 2.56 -0.57 -2.36 118.70 123.58 1ous s GLU 95 Ca -0.11 -0.67 0.16 0.00 0.00 0.00 0.00 54.97 54.35 1ous s GLU 95 Cb -0.05 -1.98 0.74 0.00 2.00 0.00 0.00 34.13 34.84 1ous s GLU 95 CO 0.03 0.04 1.66 -0.40 -0.56 0.00 0.00 175.26 176.03 1ous n ASP 96 N 3.89 5.08 0.00 -1.70 5.68 -1.26 -2.54 116.55 125.70 1ous n ASP 96 Ca -0.20 -2.70 0.00 0.00 -0.50 0.00 0.00 54.79 51.39 1ous n ASP 96 Cb 0.52 -0.62 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 1ous n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ous n GLY 97 N 0.75 0.00 2.26 6.12 0.00 -1.26 -5.06 105.19 108.01 1ous n GLY 97 Ca 0.26 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 1ous n GLY 97 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ous n TYR 102 N 0.00 -0.47 -0.03 1.61 4.01 -1.26 -5.63 117.16 115.39 1ous n TYR 102 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 1ous n TYR 102 Cb 0.00 -2.66 0.15 0.00 -0.31 0.00 0.00 39.34 36.51 1ous n TYR 102 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1ous n ASN 103 N -0.29 2.82 -0.22 7.72 6.94 -1.20 -1.44 115.26 129.58 1ous n ASN 103 Ca -0.14 -1.89 -0.01 0.00 -0.02 0.00 0.00 54.58 52.52 1ous n ASN 103 Cb 0.57 -0.20 0.10 0.00 -2.36 0.00 0.00 39.78 37.89 1ous n ASN 103 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1ous h ASP 104 N 2.35 0.46 -3.41 0.53 3.32 -1.59 -3.27 116.42 114.80 1ous h ASP 104 Ca 0.00 0.04 -0.35 0.00 0.02 0.00 0.00 57.03 56.75 1ous h ASP 104 Cb 0.71 -0.04 -0.36 0.00 0.22 0.00 0.00 39.33 39.86 1ous h ASP 104 CO 0.00 0.29 -0.74 0.00 -1.72 0.00 0.00 179.24 177.07 1ous s ALA 105 N -6.09 0.24 -0.07 3.45 0.00 -1.25 -1.18 121.76 116.87 1ous s ALA 105 Ca -0.13 0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.08 1ous s ALA 105 Cb 0.16 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 1ous s ALA 105 CO 0.75 -0.28 -0.24 0.08 0.00 0.00 0.00 175.76 176.08 1ous s VAL 106 N 1.56 1.95 -0.05 0.00 1.01 -0.27 -2.11 120.40 122.49 1ous s VAL 106 Ca -0.03 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 60.99 1ous s VAL 106 Cb -0.13 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.59 1ous s VAL 106 CO -0.03 0.54 -0.17 -0.69 0.00 0.00 0.00 175.10 174.75 1ous s VAL 107 N -0.01 1.45 -0.11 2.92 1.01 -0.11 -0.27 120.40 125.28 1ous s VAL 107 Ca -0.07 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1ous s VAL 107 Cb -0.14 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 34.99 1ous s VAL 107 CO 0.05 0.42 -0.18 -0.69 0.00 0.00 0.00 175.10 174.70 1ous s VAL 108 N 0.18 1.66 -0.10 2.92 1.01 -0.03 -0.83 120.40 125.21 1ous s VAL 108 Ca -0.07 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.17 1ous s VAL 108 Cb -0.13 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 1ous s VAL 108 CO 0.03 0.47 -0.15 -0.63 0.00 0.00 0.00 175.10 174.82 1ous s ILE 109 N 0.79 2.89 0.02 2.22 1.01 0.20 -1.03 121.20 127.30 1ous s ILE 109 Ca -0.10 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.83 1ous s ILE 109 Cb -0.16 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 1ous s ILE 109 CO 0.01 0.55 -0.08 0.54 0.00 0.00 0.00 174.94 175.96 1ous s ASN 110 N 0.01 0.88 0.11 3.58 4.22 -0.48 -0.52 114.94 122.74 1ous s ASN 110 Ca -0.05 -0.36 -0.25 0.00 -2.14 0.00 0.00 52.86 50.06 1ous s ASN 110 Cb -0.14 -0.02 0.08 0.00 1.28 0.00 0.00 41.25 42.44 1ous s ASN 110 CO 0.04 -0.07 0.77 -1.66 -2.04 0.00 0.00 177.10 174.15 1ous s TRP 111 N -0.82 -0.38 0.35 1.54 -2.14 -0.86 -0.91 118.94 115.72 1ous s TRP 111 Ca -0.04 0.16 -0.15 0.00 2.66 0.00 0.00 56.10 58.73 1ous s TRP 111 Cb -0.07 0.58 -0.09 0.00 -3.10 0.00 0.00 33.47 30.79 1ous s TRP 111 CO 0.00 -0.77 0.78 -1.25 -2.66 0.00 0.00 176.95 173.05 1ous s PRO 112 N -3.47 4.00 0.86 3.25 0.04 -1.26 -1.17 135.00 137.26 1ous s PRO 112 Ca 0.05 0.72 -0.09 0.00 0.04 0.00 0.00 61.00 61.71 1ous s PRO 112 Cb -0.02 -2.38 0.17 0.00 0.04 0.00 0.00 34.50 32.32 1ous s PRO 112 CO -0.07 0.09 1.18 -0.51 0.04 0.00 0.00 177.00 177.73 1ous s LEU 113 N -3.16 2.83 0.00 -3.56 1.43 -1.25 -5.01 118.68 109.96 1ous s LEU 113 Ca 0.55 -0.04 0.27 0.00 -1.03 0.00 0.00 54.13 53.88 1ous s LEU 113 Cb -0.10 -2.11 1.62 0.00 0.03 0.00 0.00 46.19 45.63 1ous s LEU 113 CO 0.19 -2.38 1.96 0.61 0.23 0.00 0.00 176.35 176.96