#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rp3 n GLY 2 N 0.00 2.54 4.38 -0.72 0.00 -1.20 -4.70 105.19 105.49 2rp3 n GLY 2 Ca 0.00 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 2rp3 n GLY 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rp3 n LYS 3 N 12.60 -0.74 0.05 1.61 4.76 -0.65 -4.12 118.16 131.66 2rp3 n LYS 3 Ca 0.00 0.13 0.04 0.00 -2.87 0.00 0.00 58.31 55.60 2rp3 n LYS 3 Cb 0.00 -4.38 0.43 0.00 -1.84 0.00 0.00 35.03 29.24 2rp3 n LYS 3 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2rp3 h PHE 4 N -0.90 0.42 -0.22 2.13 -0.00 -1.70 -1.57 116.94 115.11 2rp3 h PHE 4 Ca -0.57 -0.01 0.06 0.00 -0.00 0.00 0.00 57.97 57.45 2rp3 h PHE 4 Cb 1.32 -0.14 -0.01 0.00 -0.00 0.00 0.00 35.95 37.12 2rp3 h PHE 4 CO 0.66 0.33 0.33 0.66 -0.00 0.00 0.00 178.31 180.28 2rp3 h SER 5 N 0.44 0.00 0.14 -0.68 4.64 -1.84 0.18 113.55 116.42 2rp3 h SER 5 Ca 0.11 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.36 2rp3 h SER 5 Cb 0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 2rp3 h SER 5 CO -0.01 0.00 -0.26 1.56 -0.87 0.00 0.00 176.83 177.24 2rp3 h GLN 6 N 0.00 0.21 0.00 4.77 4.20 -1.64 -3.12 115.11 119.53 2rp3 h GLN 6 Ca 0.10 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 2rp3 h GLN 6 Cb 0.76 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.43 2rp3 h GLN 6 CO -0.00 0.46 -0.55 -2.37 -0.67 0.00 0.00 178.83 175.70 2rp3 n THR 7 N -4.16 1.44 -4.11 -0.54 5.66 0.29 -5.03 114.28 107.83 2rp3 n THR 7 Ca -0.01 -2.28 -0.16 0.00 -3.05 0.00 0.00 64.05 58.55 2rp3 n THR 7 Cb 0.36 0.12 -0.15 0.00 -1.55 0.00 0.00 70.33 69.12 2rp3 n THR 7 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2rp3 s TYR 9 N 0.09 0.95 -1.37 0.00 1.13 0.39 -4.62 117.35 113.93 2rp3 s TYR 9 Ca -0.01 -1.25 -0.09 0.00 -1.41 0.00 0.00 57.07 54.32 2rp3 s TYR 9 Cb -0.04 -0.52 0.02 0.00 -1.10 0.00 0.00 41.96 40.32 2rp3 s TYR 9 CO -0.00 -0.52 1.13 -1.71 -2.51 0.00 0.00 175.55 171.94 2rp3 n ASN 10 N -0.14 -5.59 -4.81 -0.18 5.15 -1.26 -1.25 115.26 107.17 2rp3 n ASN 10 Ca -0.04 -0.59 -0.34 0.00 -0.60 0.00 0.00 54.58 53.01 2rp3 n ASN 10 Cb 0.64 -4.86 -0.06 0.00 -0.53 0.00 0.00 39.78 34.97 2rp3 n ASN 10 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2rp3 s SER 11 N -3.45 6.83 -0.01 1.20 1.04 -1.26 -4.06 113.70 113.98 2rp3 s SER 11 Ca 0.53 1.76 -0.15 0.00 0.48 0.00 0.00 55.95 58.57 2rp3 s SER 11 Cb -0.24 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.36 2rp3 s SER 11 CO 0.75 -0.44 0.30 0.00 0.98 0.00 0.00 173.24 174.83 2rp3 s ALA 12 N -2.09 -0.77 -0.01 5.32 0.00 0.97 -4.97 121.76 120.21 2rp3 s ALA 12 Ca 0.62 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.91 2rp3 s ALA 12 Cb -0.11 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.09 2rp3 s ALA 12 CO 0.15 -0.26 -0.02 0.42 0.00 0.00 0.00 175.76 176.06 2rp3 s ILE 13 N -1.32 0.20 -0.35 0.00 1.01 -1.26 -1.16 121.20 118.32 2rp3 s ILE 13 Ca -0.14 -0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.52 2rp3 s ILE 13 Cb -0.05 -0.21 0.18 0.00 0.01 0.00 0.00 42.46 42.38 2rp3 s ILE 13 CO 0.04 0.09 0.53 -1.58 0.00 0.00 0.00 174.94 174.02 2rp3 s GLN 14 N 0.31 0.63 0.02 2.79 2.00 -1.17 -4.23 119.66 120.01 2rp3 s GLN 14 Ca -0.03 -0.06 0.00 0.00 -2.00 0.00 0.00 55.36 53.27 2rp3 s GLN 14 Cb -0.05 -0.08 0.00 0.00 0.80 0.00 0.00 33.01 33.68 2rp3 s GLN 14 CO -0.01 -1.12 0.00 0.41 -0.50 0.00 0.00 175.29 174.07 2rp3 n GLY 15 N 4.86 1.79 1.00 2.59 0.00 -1.25 -4.06 105.19 110.12 2rp3 n GLY 15 Ca 0.07 -0.58 -0.05 0.00 0.00 0.00 0.00 46.02 45.46 2rp3 n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rp3 n SER 16 N 3.93 -0.62 -3.99 1.61 2.88 -1.26 -4.63 113.62 111.55 2rp3 n SER 16 Ca 0.00 -1.89 -0.29 0.00 -1.33 0.00 0.00 58.87 55.36 2rp3 n SER 16 Cb 0.00 0.18 -0.17 0.00 -0.75 0.00 0.00 64.21 63.48 2rp3 n SER 16 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2rp3 s VAL 17 N 0.00 1.36 -0.19 2.46 1.01 -1.26 -0.84 120.40 122.94 2rp3 s VAL 17 Ca 0.04 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 2rp3 s VAL 17 Cb 0.05 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 2rp3 s VAL 17 CO -0.02 0.42 0.21 -0.22 0.00 0.00 0.00 175.10 175.49 2rp3 s LEU 18 N 1.44 4.21 -0.04 3.92 0.20 -0.96 -3.07 118.68 124.38 2rp3 s LEU 18 Ca 0.02 0.33 0.01 0.00 0.69 0.00 0.00 54.13 55.18 2rp3 s LEU 18 Cb -0.13 -2.22 0.02 0.00 -0.43 0.00 0.00 46.19 43.43 2rp3 s LEU 18 CO -0.08 0.12 -0.03 -0.89 -0.29 0.00 0.00 176.35 175.18 2rp3 s THR 19 N 0.55 0.43 -0.21 3.68 2.01 -0.31 -1.17 115.64 120.63 2rp3 s THR 19 Ca 0.12 -0.05 -0.22 0.00 0.31 0.00 0.00 61.69 61.84 2rp3 s THR 19 Cb -0.12 -0.49 0.06 0.00 0.01 0.00 0.00 72.50 71.96 2rp3 s THR 19 CO 0.01 0.21 0.61 -0.55 -0.69 0.00 0.00 174.62 174.21 2rp3 s SER 20 N 1.00 -0.63 -0.15 3.53 0.15 -1.15 -0.02 113.70 116.43 2rp3 s SER 20 Ca -0.10 1.16 -0.29 0.00 0.70 0.00 0.00 55.95 57.42 2rp3 s SER 20 Cb -0.14 1.17 -0.01 0.00 -1.71 0.00 0.00 66.02 65.33 2rp3 s SER 20 CO -0.01 -0.26 1.06 -0.89 1.20 0.00 0.00 173.24 174.35 2rp3 s THR 21 N 0.14 4.65 0.19 6.45 2.01 -0.38 -3.85 115.64 124.85 2rp3 s THR 21 Ca -0.01 1.95 0.08 0.00 0.31 0.00 0.00 61.69 64.01 2rp3 s THR 21 Cb -0.04 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 2rp3 s THR 21 CO 0.02 -0.07 -0.15 0.00 -0.69 0.00 0.00 174.62 173.73 2rp3 s GLU 23 N -3.38 4.24 0.98 0.00 2.02 -1.12 -1.10 118.70 120.34 2rp3 s GLU 23 Ca 0.20 1.24 -0.11 0.00 0.02 0.00 0.00 54.97 56.32 2rp3 s GLU 23 Cb -0.02 -3.64 0.18 0.00 0.10 0.00 0.00 34.13 30.75 2rp3 s GLU 23 CO 0.07 -0.59 1.10 1.03 0.02 0.00 0.00 175.26 176.88 2rp3 s ARG 24 N 3.08 0.52 -0.15 1.61 0.52 0.20 -3.53 118.95 121.19 2rp3 s ARG 24 Ca 0.41 1.18 0.17 0.00 -0.52 0.00 0.00 55.73 56.97 2rp3 s ARG 24 Cb -0.15 -1.70 -0.24 0.00 0.52 0.00 0.00 34.95 33.38 2rp3 s ARG 24 CO 0.07 -2.85 0.25 2.41 0.02 0.00 0.00 175.30 175.19 2rp3 n THR 25 N -4.35 1.43 -0.05 0.02 -1.04 -1.26 -4.71 114.28 104.32 2rp3 n THR 25 Ca 0.08 -0.84 -0.06 0.00 -2.04 0.00 0.00 64.05 61.20 2rp3 n THR 25 Cb 0.53 -0.62 -0.02 0.00 -1.82 0.00 0.00 70.33 68.41 2rp3 n THR 25 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2rp3 n ASN 26 N -2.83 1.41 0.00 8.00 2.85 -1.26 -5.04 115.26 118.39 2rp3 n ASN 26 Ca -0.28 0.23 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 2rp3 n ASN 26 Cb 1.12 -0.60 0.00 0.00 1.24 0.00 0.00 39.78 41.54 2rp3 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2rp3 n GLY 27 N 1.93 0.19 0.00 8.20 0.00 -1.26 -5.10 105.19 109.14 2rp3 n GLY 27 Ca -0.09 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2rp3 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rp3 n GLY 28 N 4.23 0.25 3.60 -0.02 0.00 -1.26 -4.67 105.19 107.32 2rp3 n GLY 28 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2rp3 n GLY 28 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rp3 s TYR 29 N 1.16 2.86 -0.02 1.61 2.02 -1.26 0.61 117.35 124.33 2rp3 s TYR 29 Ca 0.00 -0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.63 2rp3 s TYR 29 Cb 0.00 -1.56 0.03 0.00 -0.40 0.00 0.00 41.96 40.03 2rp3 s TYR 29 CO 0.00 0.39 0.02 1.21 -1.57 0.00 0.00 175.55 175.61 2rp3 s ASN 30 N -1.68 0.10 -0.50 2.29 2.47 -0.26 -4.83 114.94 112.52 2rp3 s ASN 30 Ca 0.19 0.03 0.01 0.00 0.42 0.00 0.00 52.86 53.51 2rp3 s ASN 30 Cb -0.11 -0.08 0.13 0.00 -1.45 0.00 0.00 41.25 39.74 2rp3 s ASN 30 CO 0.10 -0.11 0.27 -0.89 -3.72 0.00 0.00 177.10 172.74 2rp3 s THR 31 N 0.97 3.01 0.51 -5.21 2.01 -1.26 -1.04 115.64 114.63 2rp3 s THR 31 Ca -0.08 -2.80 0.05 0.00 0.31 0.00 0.00 61.69 59.17 2rp3 s THR 31 Cb -0.12 -3.06 0.05 0.00 0.01 0.00 0.00 72.50 69.39 2rp3 s THR 31 CO -0.03 -0.77 0.45 -1.20 -0.69 0.00 0.00 174.62 172.39 2rp3 n SER 32 N 3.71 2.48 -3.97 3.53 7.64 -1.25 -4.92 113.62 120.83 2rp3 n SER 32 Ca 0.04 -2.67 -0.09 0.00 1.01 0.00 0.00 58.87 57.16 2rp3 n SER 32 Cb 0.37 -0.11 -0.10 0.00 -1.01 0.00 0.00 64.21 63.36 2rp3 n SER 32 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2rp3 s SER 33 N -4.04 0.24 -0.05 6.43 1.04 -1.26 -2.95 113.70 113.10 2rp3 s SER 33 Ca 0.34 -0.54 -0.02 0.00 0.48 0.00 0.00 55.95 56.21 2rp3 s SER 33 Cb -0.03 0.16 0.03 0.00 0.10 0.00 0.00 66.02 66.28 2rp3 s SER 33 CO 0.22 -0.40 0.03 -0.51 0.98 0.00 0.00 173.24 173.56 2rp3 s ILE 34 N -2.06 0.11 -0.06 -1.02 1.10 -0.31 -4.88 121.20 114.07 2rp3 s ILE 34 Ca -0.10 0.28 -0.30 0.00 -0.51 0.00 0.00 60.65 60.02 2rp3 s ILE 34 Cb -0.05 -0.32 -0.05 0.00 0.15 0.00 0.00 42.46 42.19 2rp3 s ILE 34 CO -0.03 0.21 1.61 -0.62 -2.11 0.00 0.00 174.94 174.01 2rp3 s ASP 35 N 2.01 6.70 0.00 4.50 -1.08 -1.26 -2.25 116.67 125.29 2rp3 s ASP 35 Ca 0.04 2.18 0.20 0.00 -0.52 0.00 0.00 52.55 54.45 2rp3 s ASP 35 Cb -0.12 -2.53 0.98 0.00 -1.46 0.00 0.00 42.92 39.79 2rp3 s ASP 35 CO -0.04 -0.91 1.63 0.18 0.52 0.00 0.00 175.17 176.55 2rp3 n LEU 36 N 7.05 0.00 0.26 -1.34 4.77 -0.02 -2.68 117.00 125.05 2rp3 n LEU 36 Ca 0.17 0.32 0.17 0.00 -0.03 0.00 0.00 56.01 56.63 2rp3 n LEU 36 Cb 0.43 -0.32 0.63 0.00 -2.33 0.00 0.00 43.42 41.83 2rp3 n LEU 36 CO 0.62 -0.11 0.97 -1.13 -1.33 0.00 0.00 177.39 176.41 2rp3 h ASN 37 N 0.00 0.00 -0.07 -1.43 -0.73 -1.85 -0.73 115.58 110.77 2rp3 h ASN 37 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2rp3 h ASN 37 Cb 0.21 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.80 2rp3 h ASN 37 CO 0.00 0.00 0.00 -1.20 -0.37 0.00 0.00 177.43 175.86 2rp3 n SER 38 N -3.04 1.94 -0.05 1.15 7.64 -1.09 -3.50 113.62 116.66 2rp3 n SER 38 Ca 0.01 -1.67 0.00 0.00 1.01 0.00 0.00 58.87 58.22 2rp3 n SER 38 Cb 0.32 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2rp3 n SER 38 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2rp3 n VAL 39 N 0.51 0.00 -4.07 0.44 0.24 -0.59 -4.62 118.33 110.23 2rp3 n VAL 39 Ca 0.18 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.31 2rp3 n VAL 39 Cb 0.41 0.84 -0.15 0.00 -1.47 0.00 0.00 33.84 33.47 2rp3 n VAL 39 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2rp3 s ILE 40 N 0.00 0.33 0.13 1.34 -1.09 0.22 -2.37 121.20 119.76 2rp3 s ILE 40 Ca 0.00 -0.10 0.08 0.00 -2.23 0.00 0.00 60.65 58.40 2rp3 s ILE 40 Cb 0.00 -0.34 -0.04 0.00 -1.58 0.00 0.00 42.46 40.51 2rp3 s ILE 40 CO 0.00 0.13 -0.20 0.00 -1.23 0.00 0.00 174.94 173.64 2rp3 s ALA 41 N 0.38 1.89 -0.27 9.38 0.00 -0.77 -2.14 121.76 130.23 2rp3 s ALA 41 Ca -0.04 -1.34 -0.05 0.00 0.00 0.00 0.00 51.96 50.53 2rp3 s ALA 41 Cb -0.07 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.83 2rp3 s ALA 41 CO -0.01 0.32 0.03 0.00 0.00 0.00 0.00 175.76 176.11 2rp3 s ALA 42 N -1.48 2.96 -0.23 0.00 0.00 -1.26 -2.33 121.76 119.42 2rp3 s ALA 42 Ca 0.10 -1.40 -0.01 0.00 0.00 0.00 0.00 51.96 50.65 2rp3 s ALA 42 Cb -0.08 -1.98 0.07 0.00 0.00 0.00 0.00 23.12 21.12 2rp3 s ALA 42 CO 0.05 -0.81 0.01 0.08 0.00 0.00 0.00 175.76 175.09 2rp3 s VAL 43 N 1.46 0.95 -1.81 0.00 1.01 -1.01 -4.78 120.40 116.22 2rp3 s VAL 43 Ca 0.03 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.07 2rp3 s VAL 43 Cb -0.17 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.80 2rp3 s VAL 43 CO 0.00 -0.24 0.00 0.47 0.00 0.00 0.00 175.10 175.33 2rp3 n ASP 44 N 4.88 -5.88 -0.76 3.32 8.00 -1.26 -2.26 116.55 122.58 2rp3 n ASP 44 Ca -0.09 0.02 -0.01 0.00 0.71 0.00 0.00 54.79 55.42 2rp3 n ASP 44 Cb 0.45 -4.91 0.00 0.00 -0.02 0.00 0.00 41.12 36.65 2rp3 n ASP 44 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rp3 n GLY 45 N -0.98 0.79 2.67 0.44 0.00 -1.20 -4.52 105.19 102.39 2rp3 n GLY 45 Ca -0.24 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 2rp3 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rp3 s SER 46 N -3.03 1.31 -0.21 1.61 0.01 -0.96 -4.68 113.70 107.76 2rp3 s SER 46 Ca 0.03 -0.01 -0.25 0.00 1.31 0.00 0.00 55.95 57.02 2rp3 s SER 46 Cb -0.01 -0.17 -0.01 0.00 0.21 0.00 0.00 66.02 66.04 2rp3 s SER 46 CO 0.04 -0.26 0.85 -0.76 0.41 0.00 0.00 173.24 173.52 2rp3 s LEU 47 N 2.15 4.13 0.14 2.44 1.43 -1.26 -2.40 118.68 125.32 2rp3 s LEU 47 Ca 0.05 1.13 0.08 0.00 -1.03 0.00 0.00 54.13 54.36 2rp3 s LEU 47 Cb -0.13 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 2rp3 s LEU 47 CO -0.04 -0.47 -0.19 -0.54 0.23 0.00 0.00 176.35 175.34 2rp3 s LYS 48 N 2.54 1.23 0.05 1.70 -0.14 -0.99 -4.88 119.74 119.25 2rp3 s LYS 48 Ca 0.37 -1.33 -0.01 0.00 -1.36 0.00 0.00 55.97 53.65 2rp3 s LYS 48 Cb -0.16 -1.37 0.01 0.00 -1.68 0.00 0.00 37.83 34.64 2rp3 s LYS 48 CO 0.10 0.29 0.05 0.91 -0.76 0.00 0.00 175.35 175.94 2rp3 n TRP 49 N 0.57 -3.35 -4.00 3.18 7.02 -1.26 -1.85 117.44 117.75 2rp3 n TRP 49 Ca -0.15 -0.05 -0.35 0.00 -1.02 0.00 0.00 57.50 55.92 2rp3 n TRP 49 Cb 0.56 -0.05 0.01 0.00 -2.42 0.00 0.00 31.31 29.40 2rp3 n TRP 49 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2rp3 n GLN 50 N -1.48 -0.45 -3.82 -0.99 10.64 -1.00 -4.60 117.38 115.68 2rp3 n GLN 50 Ca 0.01 -0.07 -0.09 0.00 -1.83 0.00 0.00 57.00 55.01 2rp3 n GLN 50 Cb 0.03 -1.75 0.02 0.00 -0.86 0.00 0.00 30.24 27.68 2rp3 n GLN 50 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2rp3 s GLY 51 N -3.89 0.45 0.35 2.61 0.00 -1.20 -4.91 107.32 100.73 2rp3 s GLY 51 Ca 0.34 -0.81 -0.12 0.00 0.00 0.00 0.00 44.72 44.13 2rp3 s GLY 51 CO 0.75 -0.36 0.65 -1.35 0.00 0.00 0.00 173.10 172.80 2rp3 s SER 52 N -3.09 0.24 -1.07 1.64 1.04 -0.91 0.71 113.70 112.27 2rp3 s SER 52 Ca 0.16 -1.17 -0.02 0.00 0.48 0.00 0.00 55.95 55.40 2rp3 s SER 52 Cb -0.05 0.75 -0.03 0.00 0.10 0.00 0.00 66.02 66.80 2rp3 s SER 52 CO 0.12 -1.48 0.91 0.59 0.98 0.00 0.00 173.24 174.36 2rp3 n ASN 53 N -1.20 -3.84 -0.06 7.02 5.03 -1.23 -4.23 115.26 116.75 2rp3 n ASN 53 Ca -0.04 -0.62 -0.07 0.00 0.87 0.00 0.00 54.58 54.72 2rp3 n ASN 53 Cb 0.60 -4.87 -0.07 0.00 -1.02 0.00 0.00 39.78 34.42 2rp3 n ASN 53 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 2rp3 n PHE 54 N -3.59 0.00 -0.06 3.10 1.16 -1.24 -4.00 117.46 112.82 2rp3 n PHE 54 Ca -0.19 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.38 2rp3 n PHE 54 Cb 0.64 -0.51 0.24 0.00 -1.61 0.00 0.00 39.48 38.24 2rp3 n PHE 54 CO 0.00 0.00 0.00 0.97 -1.87 0.00 0.00 176.76 175.86 2rp3 h ILE 55 N 0.00 1.21 -0.08 1.97 6.09 -1.87 0.19 117.51 125.03 2rp3 h ILE 55 Ca -0.29 -0.81 0.02 0.00 -1.37 0.00 0.00 64.86 62.42 2rp3 h ILE 55 Cb 1.56 0.83 -0.00 0.00 0.47 0.00 0.00 36.82 39.67 2rp3 h ILE 55 CO -0.01 0.29 0.07 1.05 -3.07 0.00 0.00 178.15 176.48 2rp3 h GLU 56 N 0.64 0.00 -0.11 2.19 4.11 -1.99 -1.37 114.58 118.04 2rp3 h GLU 56 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 2rp3 h GLU 56 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2rp3 h GLU 56 CO 0.01 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.09 2rp3 n ALA 57 N -2.43 2.44 -2.79 1.06 0.00 -0.67 -5.02 120.51 113.09 2rp3 n ALA 57 Ca -0.01 -2.13 -0.10 0.00 0.00 0.00 0.00 53.44 51.20 2rp3 n ALA 57 Cb 0.17 -0.43 -0.09 0.00 0.00 0.00 0.00 19.45 19.10 2rp3 n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rp3 n ARG 59 N 0.89 0.82 -3.61 0.00 0.00 -0.59 -4.64 116.66 109.52 2rp3 n ARG 59 Ca -0.20 -2.56 -0.27 0.00 -0.00 0.00 0.00 57.85 54.82 2rp3 n ARG 59 Cb 0.58 2.66 0.05 0.00 -0.00 0.00 0.00 32.46 35.74 2rp3 n ARG 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2rp3 n ASN 60 N -1.59 -4.91 -4.88 2.89 3.02 -1.26 -2.06 115.26 106.47 2rp3 n ASN 60 Ca -0.02 -0.94 -0.35 0.00 -0.03 0.00 0.00 54.58 53.24 2rp3 n ASN 60 Cb 0.58 -3.79 -0.06 0.00 -0.61 0.00 0.00 39.78 35.90 2rp3 n ASN 60 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2rp3 s THR 61 N -3.49 5.39 0.33 3.41 -4.23 -1.26 -4.07 115.64 111.70 2rp3 s THR 61 Ca 0.40 -0.02 -0.18 0.00 -1.18 0.00 0.00 61.69 60.71 2rp3 s THR 61 Cb -0.12 -3.43 0.04 0.00 1.34 0.00 0.00 72.50 70.33 2rp3 s THR 61 CO 0.83 0.46 0.78 0.00 -0.54 0.00 0.00 174.62 176.16 2rp3 s GLN 62 N -1.50 1.98 -0.12 3.99 1.03 -0.72 -3.79 119.66 120.53 2rp3 s GLN 62 Ca 0.21 -1.21 -0.22 0.00 0.04 0.00 0.00 55.36 54.18 2rp3 s GLN 62 Cb -0.12 0.60 -0.03 0.00 0.03 0.00 0.00 33.01 33.49 2rp3 s GLN 62 CO 0.12 -0.92 0.66 -1.17 -2.54 0.00 0.00 175.29 171.43 2rp3 s LEU 63 N -3.02 4.24 -0.06 2.60 2.96 -1.26 -2.47 118.68 121.67 2rp3 s LEU 63 Ca 0.14 1.02 0.05 0.00 -0.22 0.00 0.00 54.13 55.12 2rp3 s LEU 63 Cb -0.05 -2.98 -0.01 0.00 0.50 0.00 0.00 46.19 43.65 2rp3 s LEU 63 CO 0.09 -0.17 -0.21 0.00 -1.32 0.00 0.00 176.35 174.73 2rp3 s ALA 64 N 1.24 1.89 0.00 5.97 0.00 -0.74 -4.85 121.76 125.27 2rp3 s ALA 64 Ca 0.33 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2rp3 s ALA 64 Cb -0.17 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.33 2rp3 s ALA 64 CO 0.14 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.64 2rp3 n GLY 65 N 3.15 1.02 0.00 0.00 0.00 -1.26 -2.34 105.19 105.76 2rp3 n GLY 65 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2rp3 n GLY 65 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2rp3 n SER 66 N 2.55 0.00 -1.57 1.61 7.64 -1.26 -4.97 113.62 117.61 2rp3 n SER 66 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.89 2rp3 n SER 66 Cb 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 2rp3 n SER 66 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2rp3 n SER 67 N 0.00 1.59 -4.43 6.43 3.41 -1.24 -4.96 113.62 114.41 2rp3 n SER 67 Ca 0.00 -2.59 -0.26 0.00 -0.26 0.00 0.00 58.87 55.76 2rp3 n SER 67 Cb 0.00 -0.39 -0.11 0.00 -0.26 0.00 0.00 64.21 63.45 2rp3 n SER 67 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2rp3 s GLU 68 N -1.73 1.55 -0.25 4.33 2.02 -0.99 0.77 118.70 124.41 2rp3 s GLU 68 Ca 0.35 -1.59 0.01 0.00 0.02 0.00 0.00 54.97 53.77 2rp3 s GLU 68 Cb 0.37 -1.81 0.06 0.00 0.10 0.00 0.00 34.13 32.85 2rp3 s GLU 68 CO -0.11 0.38 -0.05 -1.17 0.02 0.00 0.00 175.26 174.33 2rp3 s LEU 69 N -2.88 2.80 -0.11 1.80 1.98 0.12 -1.79 118.68 120.59 2rp3 s LEU 69 Ca 0.23 -1.27 -0.09 0.00 -2.89 0.00 0.00 54.13 50.11 2rp3 s LEU 69 Cb -0.07 -1.25 -0.04 0.00 0.66 0.00 0.00 46.19 45.48 2rp3 s LEU 69 CO 0.11 -0.24 0.19 0.00 -1.89 0.00 0.00 176.35 174.52 2rp3 s ALA 70 N 1.33 3.82 0.10 5.97 0.00 -1.03 -2.45 121.76 129.49 2rp3 s ALA 70 Ca -0.05 -0.57 -0.26 0.00 0.00 0.00 0.00 51.96 51.08 2rp3 s ALA 70 Cb -0.19 -2.08 0.08 0.00 0.00 0.00 0.00 23.12 20.93 2rp3 s ALA 70 CO -0.07 0.52 0.88 0.00 0.00 0.00 0.00 175.76 177.10 2rp3 s ALA 71 N -0.80 -1.69 -0.18 0.00 0.00 -0.23 -1.75 121.76 117.10 2rp3 s ALA 71 Ca 0.16 0.47 -0.05 0.00 0.00 0.00 0.00 51.96 52.54 2rp3 s ALA 71 Cb -0.13 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 2rp3 s ALA 71 CO 0.05 -0.88 0.01 -1.21 0.00 0.00 0.00 175.76 173.72 2rp3 s GLU 72 N -3.31 3.72 -0.02 0.00 2.02 -0.87 -0.30 118.70 119.94 2rp3 s GLU 72 Ca 0.08 -0.48 0.05 0.00 0.02 0.00 0.00 54.97 54.65 2rp3 s GLU 72 Cb -0.01 -3.07 -0.01 0.00 0.10 0.00 0.00 34.13 31.13 2rp3 s GLU 72 CO -0.03 0.14 -0.19 0.00 0.02 0.00 0.00 175.26 175.20 2rp3 s LYS 74 N -0.33 4.36 0.95 0.00 2.20 -0.60 -1.38 119.74 124.95 2rp3 s LYS 74 Ca 0.05 1.86 -0.14 0.00 -0.36 0.00 0.00 55.97 57.38 2rp3 s LYS 74 Cb -0.08 -3.41 0.17 0.00 -1.51 0.00 0.00 37.83 32.99 2rp3 s LYS 74 CO 0.00 -0.40 1.18 0.95 -0.36 0.00 0.00 175.35 176.73 2rp3 s THR 75 N 1.56 1.94 0.56 3.43 -4.23 0.15 -3.25 115.64 115.80 2rp3 s THR 75 Ca 0.61 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 61.36 2rp3 s THR 75 Cb -0.31 -2.81 0.32 0.00 1.34 0.00 0.00 72.50 71.04 2rp3 s THR 75 CO 0.28 0.00 2.21 0.00 -0.54 0.00 0.00 174.62 176.56 2rp3 h ALA 76 N -1.62 1.70 0.00 3.99 0.00 -1.89 0.46 119.26 121.91 2rp3 h ALA 76 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2rp3 h ALA 76 Cb 1.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2rp3 h ALA 76 CO 0.53 0.01 -0.25 0.00 0.00 0.00 0.00 179.25 179.54 2rp3 n ALA 77 N -2.41 2.53 -0.13 0.00 0.00 -1.26 -4.93 120.51 114.31 2rp3 n ALA 77 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2rp3 n ALA 77 Cb 0.09 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.19 2rp3 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rp3 n GLY 78 N 1.32 1.40 3.13 0.00 0.00 0.15 -5.11 105.19 106.08 2rp3 n GLY 78 Ca 0.05 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2rp3 n GLY 78 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rp3 s GLN 79 N -0.68 2.48 -0.31 1.61 -0.21 -1.25 -4.79 119.66 116.50 2rp3 s GLN 79 Ca 0.00 -0.68 -0.29 0.00 0.02 0.00 0.00 55.36 54.41 2rp3 s GLN 79 Cb 0.00 -1.95 0.01 0.00 1.00 0.00 0.00 33.01 32.07 2rp3 s GLN 79 CO 0.00 0.09 1.23 -0.06 -2.12 0.00 0.00 175.29 174.42 2rp3 s PHE 80 N 0.56 2.83 0.46 0.91 0.08 -1.26 0.32 117.98 121.88 2rp3 s PHE 80 Ca -0.15 0.96 0.07 0.00 0.12 0.00 0.00 56.93 57.93 2rp3 s PHE 80 Cb -0.17 -3.85 0.00 0.00 -0.57 0.00 0.00 43.02 38.44 2rp3 s PHE 80 CO 0.05 -1.42 0.44 0.14 -0.10 0.00 0.00 175.22 174.33 2rp3 s VAL 81 N 4.13 2.41 -0.51 -0.44 -7.23 -0.48 -4.85 120.40 113.43 2rp3 s VAL 81 Ca 0.53 -1.32 -0.19 0.00 -1.81 0.00 0.00 61.98 59.18 2rp3 s VAL 81 Cb -0.15 -2.73 0.06 0.00 0.56 0.00 0.00 36.38 34.12 2rp3 s VAL 81 CO 0.21 0.00 0.63 -0.94 -0.31 0.00 0.00 175.10 174.69 2rp3 s SER 82 N -4.23 6.22 -0.06 4.85 1.04 -1.26 -2.34 113.70 117.93 2rp3 s SER 82 Ca 0.47 -0.92 -0.03 0.00 0.48 0.00 0.00 55.95 55.95 2rp3 s SER 82 Cb -0.04 -2.29 -0.04 0.00 0.10 0.00 0.00 66.02 63.75 2rp3 s SER 82 CO 0.28 -0.90 0.10 0.42 0.98 0.00 0.00 173.24 174.12 2rp3 s THR 83 N 2.64 5.01 0.06 2.02 -4.23 0.59 -4.98 115.64 116.76 2rp3 s THR 83 Ca 0.15 -0.15 0.01 0.00 -1.18 0.00 0.00 61.69 60.53 2rp3 s THR 83 Cb -0.19 -3.23 -0.03 0.00 1.34 0.00 0.00 72.50 70.38 2rp3 s THR 83 CO 0.12 0.48 -0.06 -1.59 -0.54 0.00 0.00 174.62 173.02 2rp3 s LYS 84 N -1.39 0.63 -0.28 3.99 0.00 -1.26 -1.07 119.74 120.36 2rp3 s LYS 84 Ca 0.19 -1.03 -0.24 0.00 0.00 0.00 0.00 55.97 54.90 2rp3 s LYS 84 Cb -0.12 -0.14 0.10 0.00 0.00 0.00 0.00 37.83 37.68 2rp3 s LYS 84 CO 0.10 -0.01 0.89 -1.50 0.00 0.00 0.00 175.35 174.82 2rp3 s ILE 85 N -2.61 0.00 -0.19 3.79 2.07 -1.03 -4.77 121.20 118.46 2rp3 s ILE 85 Ca -0.00 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 58.95 2rp3 s ILE 85 Cb -0.02 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.57 2rp3 s ILE 85 CO -0.03 0.00 1.09 0.21 -1.91 0.00 0.00 174.94 174.29 2rp3 s ASN 86 N 0.49 7.09 0.33 4.50 3.04 -1.26 -0.70 114.94 128.42 2rp3 s ASN 86 Ca -0.00 1.48 0.10 0.00 0.04 0.00 0.00 52.86 54.48 2rp3 s ASN 86 Cb -0.05 -2.54 0.57 0.00 -1.54 0.00 0.00 41.25 37.69 2rp3 s ASN 86 CO -0.06 -0.65 1.76 -0.07 -3.04 0.00 0.00 177.10 175.04 2rp3 h LEU 87 N 9.25 0.11 -0.33 3.21 3.38 0.04 -2.45 115.31 128.52 2rp3 h LEU 87 Ca -0.23 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2rp3 h LEU 87 Cb 1.09 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2rp3 h LEU 87 CO 0.96 0.51 0.00 -0.90 0.09 0.00 0.00 178.44 179.09 2rp3 n ASP 88 N -4.04 0.27 0.30 -0.43 5.68 -1.20 -0.49 116.55 116.64 2rp3 n ASP 88 Ca -0.02 0.57 0.20 0.00 -0.50 0.00 0.00 54.79 55.05 2rp3 n ASP 88 Cb 0.45 -0.63 1.01 0.00 -1.14 0.00 0.00 41.12 40.81 2rp3 n ASP 88 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 2rp3 h ASP 89 N 0.00 0.00 0.00 -1.12 3.58 -1.76 -1.72 116.42 115.40 2rp3 h ASP 89 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2rp3 h ASP 89 Cb 0.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2rp3 h ASP 89 CO 0.00 0.00 0.00 1.41 -2.88 0.00 0.00 179.24 177.77 2rp3 n HIS 90 N -2.98 -0.62 -1.58 0.28 8.25 -1.07 -4.72 115.22 112.78 2rp3 n HIS 90 Ca -0.02 0.00 -0.49 0.00 -0.26 0.00 0.00 57.72 56.95 2rp3 n HIS 90 Cb 0.13 0.17 -0.05 0.00 1.12 0.00 0.00 29.99 31.35 2rp3 n HIS 90 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2rp3 n ILE 91 N -1.84 0.38 -4.36 1.59 2.08 0.36 -0.64 119.36 116.93 2rp3 n ILE 91 Ca 0.00 -0.22 -0.30 0.00 0.56 0.00 0.00 62.75 62.79 2rp3 n ILE 91 Cb 0.00 -1.86 -0.04 0.00 -0.75 0.00 0.00 39.64 36.99 2rp3 n ILE 91 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2rp3 n ALA 92 N 8.64 0.62 -4.02 -1.39 0.00 0.14 -2.08 120.51 122.42 2rp3 n ALA 92 Ca 0.31 -2.25 -0.31 0.00 0.00 0.00 0.00 53.44 51.19 2rp3 n ALA 92 Cb 0.28 1.09 -0.16 0.00 0.00 0.00 0.00 19.45 20.67 2rp3 n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2rp3 s ASN 93 N -3.99 3.72 -0.19 0.00 2.47 -1.26 -0.91 114.94 114.77 2rp3 s ASN 93 Ca 0.14 -1.04 -0.01 0.00 0.42 0.00 0.00 52.86 52.36 2rp3 s ASN 93 Cb -0.01 -1.33 0.00 0.00 -1.45 0.00 0.00 41.25 38.46 2rp3 s ASN 93 CO 0.09 -0.16 -0.12 -0.63 -3.72 0.00 0.00 177.10 172.56 2rp3 s ILE 94 N 1.31 2.75 -1.01 -5.21 -1.09 0.95 -4.64 121.20 114.26 2rp3 s ILE 94 Ca -0.03 -0.71 -0.03 0.00 -2.23 0.00 0.00 60.65 57.65 2rp3 s ILE 94 Cb -0.17 -2.21 0.02 0.00 -1.58 0.00 0.00 42.46 38.52 2rp3 s ILE 94 CO -0.07 0.48 0.16 -0.90 -1.23 0.00 0.00 174.94 173.38 2rp3 n ASP 95 N 4.61 -3.53 0.00 3.58 5.68 -1.26 0.28 116.55 125.91 2rp3 n ASP 95 Ca -0.19 0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 2rp3 n ASP 95 Cb 0.51 -2.99 0.00 0.00 -1.14 0.00 0.00 41.12 37.50 2rp3 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rp3 n GLY 96 N -0.89 0.70 3.63 6.12 0.00 -1.23 -4.19 105.19 109.33 2rp3 n GLY 96 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2rp3 n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rp3 s THR 97 N -2.35 3.66 -0.32 2.61 -4.23 0.14 -4.18 115.64 110.97 2rp3 s THR 97 Ca 0.00 -1.15 -0.24 0.00 -1.18 0.00 0.00 61.69 59.12 2rp3 s THR 97 Cb 0.00 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.11 2rp3 s THR 97 CO 0.00 0.11 0.82 -0.76 -0.54 0.00 0.00 174.62 174.25 2rp3 s LEU 98 N -2.28 4.07 0.44 4.79 1.43 -1.26 -0.03 118.68 125.84 2rp3 s LEU 98 Ca 0.24 0.64 0.05 0.00 -1.03 0.00 0.00 54.13 54.03 2rp3 s LEU 98 Cb -0.11 -3.12 -0.06 0.00 0.03 0.00 0.00 46.19 42.93 2rp3 s LEU 98 CO 0.16 -0.68 0.04 -0.54 0.23 0.00 0.00 176.35 175.56 2rp3 s LYS 99 N 3.08 2.06 -0.15 1.70 -0.14 -0.09 -4.64 119.74 121.56 2rp3 s LYS 99 Ca 0.34 -2.16 -0.03 0.00 -1.36 0.00 0.00 55.97 52.76 2rp3 s LYS 99 Cb -0.14 -1.66 -0.03 0.00 -1.68 0.00 0.00 37.83 34.33 2rp3 s LYS 99 CO 0.14 -0.15 -0.05 -0.47 -0.76 0.00 0.00 175.35 174.06 2rp3 s TYR 100 N -2.74 3.00 0.00 3.18 5.04 -1.26 0.24 117.35 124.81 2rp3 s TYR 100 Ca 0.28 -0.31 0.00 0.00 -2.44 0.00 0.00 57.07 54.60 2rp3 s TYR 100 Cb 0.07 -1.93 0.00 0.00 0.35 0.00 0.00 41.96 40.44 2rp3 s TYR 100 CO 0.15 -0.03 0.17 0.39 -1.34 0.00 0.00 175.55 174.89