#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 2.57 4.29 -0.72 0.00 -1.21 -4.72 105.19 105.41 2rp3 n GLY 2 Ca 0.00 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 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 12.56 -0.97 -0.07 1.61 4.76 0.08 -4.17 118.16 131.95 2rp3 n LYS 3 Ca 0.00 0.12 0.08 0.00 -2.87 0.00 0.00 58.31 55.65 2rp3 n LYS 3 Cb 0.00 -4.66 0.45 0.00 -1.84 0.00 0.00 35.03 28.99 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 -0.76 0.51 -0.84 2.13 -0.00 -1.69 -1.11 116.94 115.19 2rp3 h PHE 4 Ca -0.53 0.01 0.23 0.00 -0.00 0.00 0.00 57.97 57.69 2rp3 h PHE 4 Cb 1.33 -0.17 -0.04 0.00 -0.00 0.00 0.00 35.95 37.08 2rp3 h PHE 4 CO 0.73 0.28 0.59 1.03 -0.00 0.00 0.00 178.31 180.94 2rp3 h SER 5 N 0.51 0.07 -0.02 -0.68 0.87 -1.84 0.31 113.55 112.77 2rp3 h SER 5 Ca 0.24 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 2rp3 h SER 5 Cb 0.30 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2rp3 h SER 5 CO -0.07 0.03 -0.04 1.56 -0.53 0.00 0.00 176.83 177.78 2rp3 h GLN 6 N 0.07 0.16 0.00 2.24 4.20 -1.56 -2.89 115.11 117.33 2rp3 h GLN 6 Ca 0.41 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 59.08 2rp3 h GLN 6 Cb 1.51 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 29.22 2rp3 h GLN 6 CO -0.03 0.21 -0.31 -2.37 -0.67 0.00 0.00 178.83 175.65 2rp3 n THR 7 N -4.40 1.47 -4.34 -0.54 5.66 0.50 -5.03 114.28 107.59 2rp3 n THR 7 Ca -0.01 -2.01 -0.19 0.00 -3.05 0.00 0.00 64.05 58.79 2rp3 n THR 7 Cb 0.17 0.01 -0.14 0.00 -1.55 0.00 0.00 70.33 68.82 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 -0.69 0.49 -1.28 0.00 1.13 0.68 -4.66 117.35 113.02 2rp3 s TYR 9 Ca 0.01 -0.89 -0.06 0.00 -1.41 0.00 0.00 57.07 54.72 2rp3 s TYR 9 Cb -0.07 -0.21 0.01 0.00 -1.10 0.00 0.00 41.96 40.59 2rp3 s TYR 9 CO 0.01 -0.59 1.11 -1.71 -2.51 0.00 0.00 175.55 171.85 2rp3 n ASN 10 N -0.12 -5.01 -4.81 -0.18 5.15 -1.26 -1.17 115.26 107.86 2rp3 n ASN 10 Ca -0.09 -0.55 -0.33 0.00 -0.60 0.00 0.00 54.58 53.01 2rp3 n ASN 10 Cb 0.63 -4.96 -0.06 0.00 -0.53 0.00 0.00 39.78 34.86 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 -3.62 6.76 -0.02 1.20 1.04 -1.26 -3.98 113.70 113.83 2rp3 s SER 11 Ca 0.40 1.75 -0.28 0.00 0.48 0.00 0.00 55.95 58.30 2rp3 s SER 11 Cb -0.18 -2.54 0.06 0.00 0.10 0.00 0.00 66.02 63.46 2rp3 s SER 11 CO 0.71 -0.48 0.63 0.00 0.98 0.00 0.00 173.24 175.08 2rp3 s ALA 12 N -2.14 -1.63 -0.00 5.32 0.00 0.16 -4.92 121.76 118.54 2rp3 s ALA 12 Ca 0.63 1.09 0.01 0.00 0.00 0.00 0.00 51.96 53.70 2rp3 s ALA 12 Cb -0.11 0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.13 2rp3 s ALA 12 CO 0.15 -0.41 -0.05 0.42 0.00 0.00 0.00 175.76 175.87 2rp3 s ILE 13 N -1.57 0.39 -0.33 0.00 1.01 -1.26 -0.13 121.20 119.31 2rp3 s ILE 13 Ca -0.10 -0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.38 2rp3 s ILE 13 Cb -0.01 -0.33 0.16 0.00 0.01 0.00 0.00 42.46 42.29 2rp3 s ILE 13 CO 0.06 0.11 0.40 -1.58 0.00 0.00 0.00 174.94 173.93 2rp3 s GLN 14 N -0.08 0.51 0.00 2.79 -0.44 -1.08 -4.04 119.66 117.33 2rp3 s GLN 14 Ca 0.01 -0.29 0.00 0.00 -2.50 0.00 0.00 55.36 52.59 2rp3 s GLN 14 Cb -0.02 -0.47 0.00 0.00 -1.64 0.00 0.00 33.01 30.88 2rp3 s GLN 14 CO -0.00 -1.10 0.00 0.41 0.50 0.00 0.00 175.29 175.09 2rp3 n GLY 15 N 4.89 1.91 0.19 2.59 0.00 -1.24 -3.96 105.19 109.56 2rp3 n GLY 15 Ca 0.05 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2rp3 n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rp3 n SER 16 N 4.02 0.00 -4.34 1.61 3.41 -1.26 -4.58 113.62 112.47 2rp3 n SER 16 Ca 0.00 -0.78 -0.33 0.00 -0.26 0.00 0.00 58.87 57.50 2rp3 n SER 16 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 2rp3 n SER 16 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2rp3 s VAL 17 N 0.00 3.03 -0.17 -3.33 0.11 -1.25 -0.80 120.40 117.99 2rp3 s VAL 17 Ca 0.00 -0.65 -0.12 0.00 -2.93 0.00 0.00 61.98 58.28 2rp3 s VAL 17 Cb 0.00 -2.30 -0.05 0.00 -1.53 0.00 0.00 36.38 32.50 2rp3 s VAL 17 CO 0.00 0.50 0.22 -0.22 -3.33 0.00 0.00 175.10 172.27 2rp3 s LEU 18 N 0.68 4.24 -0.05 2.54 0.20 -1.02 -2.63 118.68 122.64 2rp3 s LEU 18 Ca -0.06 0.40 0.02 0.00 0.69 0.00 0.00 54.13 55.18 2rp3 s LEU 18 Cb -0.15 -2.25 0.02 0.00 -0.43 0.00 0.00 46.19 43.38 2rp3 s LEU 18 CO 0.02 0.15 -0.08 -0.89 -0.29 0.00 0.00 176.35 175.27 2rp3 s THR 19 N 0.30 0.79 -0.27 3.68 2.01 0.81 -1.49 115.64 121.48 2rp3 s THR 19 Ca 0.13 -0.28 -0.23 0.00 0.31 0.00 0.00 61.69 61.62 2rp3 s THR 19 Cb -0.12 -0.76 0.07 0.00 0.01 0.00 0.00 72.50 71.70 2rp3 s THR 19 CO 0.02 0.28 0.70 -0.55 -0.69 0.00 0.00 174.62 174.37 2rp3 s SER 20 N 0.77 -0.77 -0.11 3.53 0.15 -1.14 0.35 113.70 116.47 2rp3 s SER 20 Ca -0.13 1.44 -0.28 0.00 0.70 0.00 0.00 55.95 57.68 2rp3 s SER 20 Cb -0.15 1.42 -0.02 0.00 -1.71 0.00 0.00 66.02 65.57 2rp3 s SER 20 CO 0.02 -0.24 0.93 -0.89 1.20 0.00 0.00 173.24 174.26 2rp3 s THR 21 N 0.63 4.84 0.16 6.45 2.01 -0.32 -3.78 115.64 125.63 2rp3 s THR 21 Ca -0.02 1.89 0.06 0.00 0.31 0.00 0.00 61.69 63.93 2rp3 s THR 21 Cb -0.05 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 2rp3 s THR 21 CO -0.03 0.04 -0.14 0.00 -0.69 0.00 0.00 174.62 173.80 2rp3 s GLU 23 N -3.23 4.26 0.90 0.00 2.02 -1.14 -1.38 118.70 120.12 2rp3 s GLU 23 Ca 0.16 1.32 -0.10 0.00 0.02 0.00 0.00 54.97 56.36 2rp3 s GLU 23 Cb -0.02 -3.64 0.13 0.00 0.10 0.00 0.00 34.13 30.71 2rp3 s GLU 23 CO 0.04 -0.60 1.12 1.03 0.02 0.00 0.00 175.26 176.87 2rp3 s ARG 24 N 3.10 1.17 -0.10 1.61 0.52 0.19 -3.51 118.95 121.94 2rp3 s ARG 24 Ca 0.43 1.36 0.16 0.00 -0.52 0.00 0.00 55.73 57.17 2rp3 s ARG 24 Cb -0.15 -1.76 -0.23 0.00 0.52 0.00 0.00 34.95 33.33 2rp3 s ARG 24 CO 0.07 -2.46 0.40 2.41 0.02 0.00 0.00 175.30 175.73 2rp3 n THR 25 N -4.10 1.37 -0.05 0.02 -1.04 -1.26 -4.67 114.28 104.54 2rp3 n THR 25 Ca 0.10 -0.80 -0.06 0.00 -2.04 0.00 0.00 64.05 61.26 2rp3 n THR 25 Cb 0.53 -0.67 -0.02 0.00 -1.82 0.00 0.00 70.33 68.34 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 -2.84 1.41 -0.96 8.00 5.15 -1.26 -5.04 115.26 119.71 2rp3 n ASN 26 Ca -0.23 0.23 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 2rp3 n ASN 26 Cb 1.05 -0.62 0.00 0.00 -0.53 0.00 0.00 39.78 39.67 2rp3 n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rp3 n GLY 27 N 1.77 0.77 0.00 8.20 0.00 -1.26 -5.11 105.19 109.56 2rp3 n GLY 27 Ca -0.09 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 4.87 0.03 3.61 -0.02 0.00 -1.26 -4.59 105.19 107.83 2rp3 n GLY 28 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 1.30 2.94 -0.04 1.61 2.02 -1.26 0.56 117.35 124.47 2rp3 s TYR 29 Ca 0.00 -0.00 0.00 0.00 -0.37 0.00 0.00 57.07 56.70 2rp3 s TYR 29 Cb 0.00 -1.64 0.03 0.00 -0.40 0.00 0.00 41.96 39.95 2rp3 s TYR 29 CO 0.00 0.39 -0.01 1.21 -1.57 0.00 0.00 175.55 175.57 2rp3 s ASN 30 N -1.36 0.80 -0.58 2.29 2.47 -0.48 -4.85 114.94 113.23 2rp3 s ASN 30 Ca 0.17 -0.06 -0.05 0.00 0.42 0.00 0.00 52.86 53.34 2rp3 s ASN 30 Cb -0.11 -0.32 0.15 0.00 -1.45 0.00 0.00 41.25 39.52 2rp3 s ASN 30 CO 0.07 -0.11 0.42 -0.89 -3.72 0.00 0.00 177.10 172.87 2rp3 s THR 31 N 1.20 3.95 0.51 -5.21 2.01 -1.26 -1.57 115.64 115.27 2rp3 s THR 31 Ca -0.07 -2.52 0.05 0.00 0.31 0.00 0.00 61.69 59.47 2rp3 s THR 31 Cb -0.13 -3.58 0.01 0.00 0.01 0.00 0.00 72.50 68.81 2rp3 s THR 31 CO -0.02 -0.84 0.32 -0.44 -0.69 0.00 0.00 174.62 172.95 2rp3 s SER 32 N 1.44 4.58 0.05 3.53 0.01 -1.25 -4.95 113.70 117.12 2rp3 s SER 32 Ca 0.13 -1.22 -0.03 0.00 1.31 0.00 0.00 55.95 56.14 2rp3 s SER 32 Cb -0.21 0.21 -0.03 0.00 0.21 0.00 0.00 66.02 66.21 2rp3 s SER 32 CO -0.04 -0.95 0.02 -0.94 0.41 0.00 0.00 173.24 171.74 2rp3 s SER 33 N -4.17 0.35 -0.07 2.44 1.04 -1.26 -2.89 113.70 109.14 2rp3 s SER 33 Ca 0.33 -0.80 -0.03 0.00 0.48 0.00 0.00 55.95 55.93 2rp3 s SER 33 Cb -0.01 0.21 0.04 0.00 0.10 0.00 0.00 66.02 66.37 2rp3 s SER 33 CO 0.20 -0.56 0.13 -0.51 0.98 0.00 0.00 173.24 173.48 2rp3 s ILE 34 N -3.36 -0.22 -0.03 -1.02 1.10 -0.55 -4.87 121.20 112.25 2rp3 s ILE 34 Ca 0.02 0.37 -0.30 0.00 -0.51 0.00 0.00 60.65 60.23 2rp3 s ILE 34 Cb 0.04 -0.26 -0.06 0.00 0.15 0.00 0.00 42.46 42.33 2rp3 s ILE 34 CO -0.08 0.15 1.73 -0.62 -2.11 0.00 0.00 174.94 174.02 2rp3 s ASP 35 N 2.21 6.61 0.00 4.50 2.15 -1.26 -2.43 116.67 128.46 2rp3 s ASP 35 Ca 0.03 2.35 0.21 0.00 0.43 0.00 0.00 52.55 55.57 2rp3 s ASP 35 Cb -0.12 -2.53 1.11 0.00 -0.30 0.00 0.00 42.92 41.08 2rp3 s ASP 35 CO -0.05 -0.96 1.66 0.18 -0.17 0.00 0.00 175.17 175.83 2rp3 n LEU 36 N 7.19 0.00 0.19 -1.34 4.77 0.02 -2.61 117.00 125.23 2rp3 n LEU 36 Ca 0.18 0.21 0.06 0.00 -0.03 0.00 0.00 56.01 56.42 2rp3 n LEU 36 Cb 0.42 -0.21 0.38 0.00 -2.33 0.00 0.00 43.42 41.69 2rp3 n LEU 36 CO 0.64 -0.07 0.71 -1.13 -1.33 0.00 0.00 177.39 176.22 2rp3 h ASN 37 N 0.00 0.00 -0.06 -1.43 -0.00 -1.86 -0.55 115.58 111.68 2rp3 h ASN 37 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2rp3 h ASN 37 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.46 2rp3 h ASN 37 CO 0.00 0.36 0.00 -0.24 -0.00 0.00 0.00 177.43 177.55 2rp3 n SER 38 N -3.65 1.24 -0.15 1.15 2.88 -1.07 -3.53 113.62 110.48 2rp3 n SER 38 Ca -0.01 -1.50 0.00 0.00 -1.33 0.00 0.00 58.87 56.03 2rp3 n SER 38 Cb 0.46 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 2rp3 n SER 38 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2rp3 n VAL 39 N -0.00 0.00 -4.00 2.46 0.24 -0.83 -4.69 118.33 111.50 2rp3 n VAL 39 Ca 0.18 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.35 2rp3 n VAL 39 Cb 0.29 0.80 -0.14 0.00 -1.47 0.00 0.00 33.84 33.32 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 0.21 0.07 1.34 -1.09 0.20 -2.53 121.20 119.39 2rp3 s ILE 40 Ca 0.00 -0.26 0.07 0.00 -2.23 0.00 0.00 60.65 58.24 2rp3 s ILE 40 Cb 0.00 -0.21 -0.03 0.00 -1.58 0.00 0.00 42.46 40.64 2rp3 s ILE 40 CO 0.00 -0.03 -0.20 0.00 -1.23 0.00 0.00 174.94 173.48 2rp3 s ALA 41 N -0.29 1.66 -0.36 9.38 0.00 -0.37 -1.62 121.76 130.16 2rp3 s ALA 41 Ca -0.02 -1.09 -0.12 0.00 0.00 0.00 0.00 51.96 50.73 2rp3 s ALA 41 Cb -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.83 2rp3 s ALA 41 CO -0.00 0.35 0.22 0.00 0.00 0.00 0.00 175.76 176.33 2rp3 s ALA 42 N -0.97 3.38 -0.29 0.00 0.00 -1.26 -2.13 121.76 120.49 2rp3 s ALA 42 Ca 0.06 -1.54 0.01 0.00 0.00 0.00 0.00 51.96 50.49 2rp3 s ALA 42 Cb -0.09 -2.63 0.08 0.00 0.00 0.00 0.00 23.12 20.49 2rp3 s ALA 42 CO 0.03 -1.17 0.03 0.08 0.00 0.00 0.00 175.76 174.73 2rp3 s VAL 43 N 1.64 1.54 -1.35 0.00 1.01 -0.57 -4.79 120.40 117.89 2rp3 s VAL 43 Ca 0.04 -1.62 -0.06 0.00 0.00 0.00 0.00 61.98 60.35 2rp3 s VAL 43 Cb -0.18 -2.02 0.03 0.00 0.00 0.00 0.00 36.38 34.21 2rp3 s VAL 43 CO 0.08 -0.44 0.42 -0.90 0.00 0.00 0.00 175.10 174.26 2rp3 n ASP 44 N 4.60 -4.61 -0.29 3.32 5.68 -1.26 -1.58 116.55 122.41 2rp3 n ASP 44 Ca -0.04 -0.23 0.00 0.00 -0.50 0.00 0.00 54.79 54.02 2rp3 n ASP 44 Cb 0.43 -3.80 0.00 0.00 -1.14 0.00 0.00 41.12 36.61 2rp3 n ASP 44 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rp3 n GLY 45 N -1.21 0.86 2.78 6.12 0.00 -1.04 -4.41 105.19 108.29 2rp3 n GLY 45 Ca -0.08 -0.62 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.83 0.99 -0.25 1.61 0.01 -0.61 -4.70 113.70 107.91 2rp3 s SER 46 Ca 0.00 -0.03 -0.21 0.00 1.31 0.00 0.00 55.95 57.02 2rp3 s SER 46 Cb 0.00 -0.29 -0.02 0.00 0.21 0.00 0.00 66.02 65.92 2rp3 s SER 46 CO 0.00 -0.16 0.67 -0.76 0.41 0.00 0.00 173.24 173.40 2rp3 s LEU 47 N 1.56 4.07 0.05 2.44 1.43 -1.26 -1.51 118.68 125.46 2rp3 s LEU 47 Ca -0.02 0.78 0.09 0.00 -1.03 0.00 0.00 54.13 53.95 2rp3 s LEU 47 Cb -0.13 -2.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 2rp3 s LEU 47 CO -0.03 -0.40 -0.24 -0.54 0.23 0.00 0.00 176.35 175.37 2rp3 s LYS 48 N 2.57 1.62 0.16 1.70 -0.14 -0.91 -4.89 119.74 119.85 2rp3 s LYS 48 Ca 0.28 -1.06 -0.03 0.00 -1.36 0.00 0.00 55.97 53.81 2rp3 s LYS 48 Cb -0.15 -1.79 0.04 0.00 -1.68 0.00 0.00 37.83 34.24 2rp3 s LYS 48 CO 0.08 0.46 0.14 0.91 -0.76 0.00 0.00 175.35 176.18 2rp3 n TRP 49 N 1.76 -3.18 -4.25 3.18 7.02 -1.26 -1.23 117.44 119.48 2rp3 n TRP 49 Ca -0.17 -0.13 -0.39 0.00 -1.02 0.00 0.00 57.50 55.79 2rp3 n TRP 49 Cb 0.52 -0.15 -0.07 0.00 -2.42 0.00 0.00 31.31 29.20 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 -1.89 -0.74 -4.10 -0.99 10.64 -1.05 -4.61 117.38 114.63 2rp3 n GLN 50 Ca 0.02 0.13 -0.19 0.00 -1.83 0.00 0.00 57.00 55.12 2rp3 n GLN 50 Cb 0.08 -4.24 -0.07 0.00 -0.86 0.00 0.00 30.24 25.14 2rp3 n GLN 50 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2rp3 n GLY 51 N -1.02 3.05 3.70 2.61 0.00 -1.21 -4.93 105.19 107.39 2rp3 n GLY 51 Ca 0.10 -1.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.11 2rp3 n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rp3 s SER 52 N -3.20 0.14 -1.14 1.61 1.04 -0.64 0.58 113.70 112.09 2rp3 s SER 52 Ca 0.34 -1.08 -0.02 0.00 0.48 0.00 0.00 55.95 55.67 2rp3 s SER 52 Cb 0.02 0.74 -0.02 0.00 0.10 0.00 0.00 66.02 66.85 2rp3 s SER 52 CO 0.24 -1.43 0.96 0.59 0.98 0.00 0.00 173.24 174.58 2rp3 n ASN 53 N -1.03 -3.28 -0.07 7.02 4.13 -1.23 -4.31 115.26 116.49 2rp3 n ASN 53 Ca -0.04 -0.63 -0.10 0.00 1.68 0.00 0.00 54.58 55.49 2rp3 n ASN 53 Cb 0.60 -5.07 -0.07 0.00 -1.54 0.00 0.00 39.78 33.70 2rp3 n ASN 53 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 2rp3 n PHE 54 N -3.84 0.00 -0.29 3.10 1.16 -1.24 -4.08 117.46 112.26 2rp3 n PHE 54 Ca -0.23 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.34 2rp3 n PHE 54 Cb 0.65 -0.57 0.16 0.00 -1.61 0.00 0.00 39.48 38.11 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 1.23 -0.56 1.97 6.09 -1.87 -0.52 117.51 123.85 2rp3 h ILE 55 Ca -0.33 -0.49 0.16 0.00 -1.37 0.00 0.00 64.86 62.83 2rp3 h ILE 55 Cb 1.55 0.00 -0.02 0.00 0.47 0.00 0.00 36.82 38.82 2rp3 h ILE 55 CO -0.04 0.24 0.53 1.05 -3.07 0.00 0.00 178.15 176.86 2rp3 h GLU 56 N 1.18 0.00 -0.01 2.19 -0.00 -1.98 0.14 114.58 116.10 2rp3 h GLU 56 Ca 0.31 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.67 2rp3 h GLU 56 Cb -0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.68 2rp3 h GLU 56 CO -0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 179.01 178.92 2rp3 n ALA 57 N -2.43 2.37 -2.29 1.06 0.00 -0.31 -5.05 120.51 113.86 2rp3 n ALA 57 Ca 0.11 -2.65 -0.16 0.00 0.00 0.00 0.00 53.44 50.74 2rp3 n ALA 57 Cb 0.75 -0.39 -0.10 0.00 0.00 0.00 0.00 19.45 19.70 2rp3 n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rp3 s ARG 59 N -3.90 1.89 -1.15 0.00 3.03 -1.04 -4.82 118.95 112.96 2rp3 s ARG 59 Ca 0.28 -1.12 -0.13 0.00 2.03 0.00 0.00 55.73 56.78 2rp3 s ARG 59 Cb 0.06 0.61 -0.02 0.00 -1.03 0.00 0.00 34.95 34.56 2rp3 s ARG 59 CO 0.07 -0.87 0.80 0.09 -1.13 0.00 0.00 175.30 174.26 2rp3 n ASN 60 N -0.71 -4.75 -4.79 -2.89 3.02 -1.26 -2.06 115.26 101.82 2rp3 n ASN 60 Ca -0.05 -0.91 -0.37 0.00 -0.03 0.00 0.00 54.58 53.22 2rp3 n ASN 60 Cb 0.59 -3.93 -0.06 0.00 -0.61 0.00 0.00 39.78 35.77 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 -3.50 5.19 0.19 3.41 -4.23 -1.26 -4.10 115.64 111.33 2rp3 s THR 61 Ca 0.37 0.71 -0.23 0.00 -1.18 0.00 0.00 61.69 61.36 2rp3 s THR 61 Cb -0.11 -3.67 0.05 0.00 1.34 0.00 0.00 72.50 70.11 2rp3 s THR 61 CO 0.82 0.49 0.73 0.00 -0.54 0.00 0.00 174.62 176.12 2rp3 s GLN 62 N -0.36 1.42 0.10 3.99 -2.07 -0.79 -3.64 119.66 118.31 2rp3 s GLN 62 Ca 0.21 -0.68 -0.26 0.00 -1.82 0.00 0.00 55.36 52.81 2rp3 s GLN 62 Cb -0.15 0.55 -0.06 0.00 -1.09 0.00 0.00 33.01 32.26 2rp3 s GLN 62 CO 0.09 -0.64 0.81 -1.17 -1.32 0.00 0.00 175.29 173.06 2rp3 s LEU 63 N -2.81 4.51 -0.02 2.60 2.96 -1.26 -1.82 118.68 122.83 2rp3 s LEU 63 Ca 0.07 1.59 0.05 0.00 -0.22 0.00 0.00 54.13 55.61 2rp3 s LEU 63 Cb -0.03 -3.33 -0.01 0.00 0.50 0.00 0.00 46.19 43.32 2rp3 s LEU 63 CO -0.02 0.06 -0.16 0.00 -1.32 0.00 0.00 176.35 174.90 2rp3 s ALA 64 N -0.41 1.41 0.00 5.97 0.00 0.26 -4.90 121.76 124.09 2rp3 s ALA 64 Ca 0.39 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2rp3 s ALA 64 Cb -0.22 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.50 2rp3 s ALA 64 CO 0.25 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.73 2rp3 n GLY 65 N 2.86 0.87 0.10 0.00 0.00 -1.26 -2.13 105.19 105.63 2rp3 n GLY 65 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2rp3 n GLY 65 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rp3 n SER 66 N 2.06 0.00 -1.08 1.61 2.88 -1.26 -4.98 113.62 112.85 2rp3 n SER 66 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 2rp3 n SER 66 Cb 0.00 0.03 0.06 0.00 -0.75 0.00 0.00 64.21 63.54 2rp3 n SER 66 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2rp3 n SER 67 N -1.09 1.02 -4.62 -3.46 3.41 -1.23 -4.89 113.62 102.76 2rp3 n SER 67 Ca 0.00 -2.40 -0.31 0.00 -0.26 0.00 0.00 58.87 55.91 2rp3 n SER 67 Cb 0.00 -0.33 -0.09 0.00 -0.26 0.00 0.00 64.21 63.53 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 -0.73 2.39 -0.28 4.33 2.02 -0.90 0.12 118.70 125.64 2rp3 s GLU 68 Ca 0.28 -0.87 0.02 0.00 0.02 0.00 0.00 54.97 54.43 2rp3 s GLU 68 Cb 0.31 -2.44 0.07 0.00 0.10 0.00 0.00 34.13 32.17 2rp3 s GLU 68 CO -0.11 0.55 -0.06 -1.17 0.02 0.00 0.00 175.26 174.49 2rp3 s LEU 69 N -1.99 3.82 -0.09 1.80 1.98 -0.56 -0.57 118.68 123.07 2rp3 s LEU 69 Ca 0.21 -1.55 -0.15 0.00 -2.89 0.00 0.00 54.13 49.75 2rp3 s LEU 69 Cb -0.11 -1.59 -0.05 0.00 0.66 0.00 0.00 46.19 45.10 2rp3 s LEU 69 CO 0.13 -0.25 0.38 0.00 -1.89 0.00 0.00 176.35 174.73 2rp3 s ALA 70 N 1.08 3.61 0.08 5.97 0.00 -0.75 -2.89 121.76 128.85 2rp3 s ALA 70 Ca -0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 51.96 51.60 2rp3 s ALA 70 Cb -0.20 -2.44 0.01 0.00 0.00 0.00 0.00 23.12 20.49 2rp3 s ALA 70 CO -0.05 0.23 0.13 0.00 0.00 0.00 0.00 175.76 176.07 2rp3 n ALA 71 N 2.88 -0.20 -3.49 0.00 0.00 -0.29 -1.89 120.51 117.51 2rp3 n ALA 71 Ca -0.12 -0.30 -0.27 0.00 0.00 0.00 0.00 53.44 52.75 2rp3 n ALA 71 Cb 0.52 0.24 -0.13 0.00 0.00 0.00 0.00 19.45 20.08 2rp3 n ALA 71 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2rp3 s GLU 72 N -2.10 0.36 0.06 0.00 2.02 -0.88 -0.95 118.70 117.21 2rp3 s GLU 72 Ca 0.05 -0.81 -0.09 0.00 0.02 0.00 0.00 54.97 54.14 2rp3 s GLU 72 Cb -0.01 -1.14 -0.05 0.00 0.10 0.00 0.00 34.13 33.03 2rp3 s GLU 72 CO 0.03 -1.10 0.35 0.00 0.02 0.00 0.00 175.26 174.57 2rp3 s LYS 74 N -1.87 4.39 0.74 0.00 2.20 -0.31 -2.17 119.74 122.72 2rp3 s LYS 74 Ca 0.31 2.06 -0.10 0.00 -0.36 0.00 0.00 55.97 57.88 2rp3 s LYS 74 Cb -0.14 -3.19 0.05 0.00 -1.51 0.00 0.00 37.83 33.05 2rp3 s LYS 74 CO 0.18 -0.24 1.09 0.95 -0.36 0.00 0.00 175.35 176.97 2rp3 s THR 75 N 0.02 2.56 0.53 3.43 -4.23 0.22 -2.50 115.64 115.67 2rp3 s THR 75 Ca 0.56 0.04 0.23 0.00 -1.18 0.00 0.00 61.69 61.34 2rp3 s THR 75 Cb -0.37 -3.15 0.37 0.00 1.34 0.00 0.00 72.50 70.70 2rp3 s THR 75 CO 0.39 -0.18 2.03 0.00 -0.54 0.00 0.00 174.62 176.31 2rp3 h ALA 76 N -0.77 2.40 0.00 3.99 0.00 -1.88 0.31 119.26 123.31 2rp3 h ALA 76 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2rp3 h ALA 76 Cb 1.30 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2rp3 h ALA 76 CO 0.64 -0.52 -0.26 0.00 0.00 0.00 0.00 179.25 179.10 2rp3 h ALA 77 N 1.79 0.84 0.00 0.00 0.00 -1.95 -3.47 119.26 116.47 2rp3 h ALA 77 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2rp3 h ALA 77 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2rp3 h ALA 77 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2rp3 n GLY 78 N 1.25 1.47 3.11 0.00 0.00 0.11 -5.11 105.19 106.02 2rp3 n GLY 78 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.43 2.44 -0.14 1.61 -1.52 -1.25 -4.76 119.66 115.61 2rp3 s GLN 79 Ca 0.00 -0.66 -0.29 0.00 -1.95 0.00 0.00 55.36 52.46 2rp3 s GLN 79 Cb 0.00 -1.95 -0.01 0.00 -0.22 0.00 0.00 33.01 30.83 2rp3 s GLN 79 CO 0.00 0.05 1.10 -0.06 -0.25 0.00 0.00 175.29 176.13 2rp3 s PHE 80 N 0.66 3.28 0.10 0.91 0.08 -1.26 0.73 117.98 122.48 2rp3 s PHE 80 Ca -0.13 1.37 0.09 0.00 0.12 0.00 0.00 56.93 58.38 2rp3 s PHE 80 Cb -0.16 -3.32 -0.04 0.00 -0.57 0.00 0.00 43.02 38.93 2rp3 s PHE 80 CO 0.03 -0.80 -0.24 0.14 -0.10 0.00 0.00 175.22 174.26 2rp3 s VAL 81 N 2.62 1.96 -0.04 -0.44 -7.23 -0.92 -4.93 120.40 111.42 2rp3 s VAL 81 Ca 0.50 -1.58 -0.30 0.00 -1.81 0.00 0.00 61.98 58.79 2rp3 s VAL 81 Cb -0.19 -1.75 -0.05 0.00 0.56 0.00 0.00 36.38 34.94 2rp3 s VAL 81 CO 0.15 0.07 1.57 -0.94 -0.31 0.00 0.00 175.10 175.64 2rp3 s SER 82 N -1.83 6.72 0.09 4.85 1.04 -1.26 -2.82 113.70 120.50 2rp3 s SER 82 Ca 0.10 2.19 0.08 0.00 0.48 0.00 0.00 55.95 58.80 2rp3 s SER 82 Cb -0.10 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.44 2rp3 s SER 82 CO 0.04 -0.87 -0.18 0.42 0.98 0.00 0.00 173.24 173.64 2rp3 s THR 83 N 3.53 2.83 0.03 2.02 -4.23 -0.13 -4.97 115.64 114.71 2rp3 s THR 83 Ca 0.70 -1.41 -0.01 0.00 -1.18 0.00 0.00 61.69 59.79 2rp3 s THR 83 Cb -0.32 -2.27 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 2rp3 s THR 83 CO 0.28 0.17 -0.02 -1.59 -0.54 0.00 0.00 174.62 172.92 2rp3 s LYS 84 N -1.94 0.38 -0.23 3.99 0.00 -1.26 -1.14 119.74 119.54 2rp3 s LYS 84 Ca 0.17 -0.71 -0.20 0.00 0.00 0.00 0.00 55.97 55.22 2rp3 s LYS 84 Cb -0.11 0.13 0.06 0.00 0.00 0.00 0.00 37.83 37.92 2rp3 s LYS 84 CO 0.09 -0.07 0.62 -1.50 0.00 0.00 0.00 175.35 174.49 2rp3 s ILE 85 N -1.92 -0.00 -0.37 3.79 2.07 -1.14 -4.78 121.20 118.86 2rp3 s ILE 85 Ca -0.12 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 58.84 2rp3 s ILE 85 Cb -0.07 -0.86 0.01 0.00 0.13 0.00 0.00 42.46 41.68 2rp3 s ILE 85 CO -0.03 0.00 1.21 0.21 -1.91 0.00 0.00 174.94 174.42 2rp3 s ASN 86 N 0.50 6.69 0.48 4.50 3.04 -1.26 -1.50 114.94 127.38 2rp3 s ASN 86 Ca -0.01 0.91 0.16 0.00 0.04 0.00 0.00 52.86 53.96 2rp3 s ASN 86 Cb -0.05 -2.54 1.13 0.00 -1.54 0.00 0.00 41.25 38.25 2rp3 s ASN 86 CO -0.02 -1.12 2.05 -0.07 -3.04 0.00 0.00 177.10 174.90 2rp3 h LEU 87 N 10.91 0.00 -0.84 3.21 3.38 0.55 -0.69 115.31 131.84 2rp3 h LEU 87 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2rp3 h LEU 87 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2rp3 h LEU 87 CO 1.07 0.13 0.00 0.44 0.09 0.00 0.00 178.44 180.16 2rp3 h ASP 88 N 0.00 0.00 -0.67 -0.43 3.32 -1.79 0.61 116.42 117.47 2rp3 h ASP 88 Ca -0.00 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.16 2rp3 h ASP 88 Cb 0.23 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 2rp3 h ASP 88 CO 0.02 0.00 0.44 -0.78 -1.72 0.00 0.00 179.24 177.20 2rp3 h ASP 89 N 0.00 0.43 0.00 6.45 3.58 -1.44 0.25 116.42 125.69 2rp3 h ASP 89 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2rp3 h ASP 89 Cb 0.40 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.37 2rp3 h ASP 89 CO 0.00 0.25 0.00 1.41 -2.88 0.00 0.00 179.24 178.02 2rp3 n HIS 90 N -4.48 -0.01 -1.68 0.28 8.25 -1.14 -4.62 115.22 111.82 2rp3 n HIS 90 Ca 0.11 0.00 -0.49 0.00 -0.26 0.00 0.00 57.72 57.08 2rp3 n HIS 90 Cb 0.39 0.13 -0.05 0.00 1.12 0.00 0.00 29.99 31.59 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 -1.77 0.54 -4.52 1.59 2.08 0.20 -1.80 119.36 115.67 2rp3 n ILE 91 Ca 0.00 -0.10 -0.30 0.00 0.56 0.00 0.00 62.75 62.91 2rp3 n ILE 91 Cb 0.00 -1.80 -0.07 0.00 -0.75 0.00 0.00 39.64 37.02 2rp3 n ILE 91 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2rp3 s ALA 92 N 3.92 4.00 -0.20 -1.39 0.00 0.94 -2.08 121.76 126.94 2rp3 s ALA 92 Ca 0.93 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.94 2rp3 s ALA 92 Cb -0.73 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 22.29 2rp3 s ALA 92 CO 0.52 -0.13 -0.17 1.21 0.00 0.00 0.00 175.76 177.20 2rp3 s ASN 93 N -3.93 3.54 -0.25 0.00 2.47 -1.26 -0.67 114.94 114.84 2rp3 s ASN 93 Ca 0.18 -0.89 0.03 0.00 0.42 0.00 0.00 52.86 52.60 2rp3 s ASN 93 Cb 0.02 -1.48 0.06 0.00 -1.45 0.00 0.00 41.25 38.40 2rp3 s ASN 93 CO 0.10 -0.07 -0.11 -0.63 -3.72 0.00 0.00 177.10 172.67 2rp3 s ILE 94 N 1.24 2.14 -1.63 -5.21 -1.09 0.87 -4.67 121.20 112.85 2rp3 s ILE 94 Ca 0.00 -1.58 0.00 0.00 -2.23 0.00 0.00 60.65 56.84 2rp3 s ILE 94 Cb -0.15 -2.24 0.00 0.00 -1.58 0.00 0.00 42.46 38.49 2rp3 s ILE 94 CO -0.10 0.00 0.00 -0.67 -1.23 0.00 0.00 174.94 172.94 2rp3 n ASP 95 N 4.45 -5.41 0.00 3.58 2.03 -1.26 -1.51 116.55 118.42 2rp3 n ASP 95 Ca -0.14 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.18 2rp3 n ASP 95 Cb 0.43 -4.47 0.00 0.00 -0.72 0.00 0.00 41.12 36.35 2rp3 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rp3 n GLY 96 N -0.99 0.73 3.61 0.27 0.00 -1.23 -4.12 105.19 103.45 2rp3 n GLY 96 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.58 3.72 -0.16 2.61 -4.23 -0.57 -4.21 115.64 110.22 2rp3 s THR 97 Ca 0.00 -0.74 -0.28 0.00 -1.18 0.00 0.00 61.69 59.48 2rp3 s THR 97 Cb 0.00 -2.62 -0.01 0.00 1.34 0.00 0.00 72.50 71.22 2rp3 s THR 97 CO 0.00 0.40 0.98 -0.76 -0.54 0.00 0.00 174.62 174.70 2rp3 s LEU 98 N -1.42 4.18 0.36 4.79 1.43 -1.26 -0.09 118.68 126.67 2rp3 s LEU 98 Ca 0.17 1.40 0.03 0.00 -1.03 0.00 0.00 54.13 54.71 2rp3 s LEU 98 Cb -0.11 -3.48 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 2rp3 s LEU 98 CO 0.08 -0.51 0.09 -0.54 0.23 0.00 0.00 176.35 175.70 2rp3 s LYS 99 N 2.44 1.75 -0.14 1.70 -0.14 0.16 -4.71 119.74 120.80 2rp3 s LYS 99 Ca 0.45 -2.02 -0.03 0.00 -1.36 0.00 0.00 55.97 53.01 2rp3 s LYS 99 Cb -0.17 -0.72 -0.03 0.00 -1.68 0.00 0.00 37.83 35.23 2rp3 s LYS 99 CO 0.13 -0.32 -0.04 -0.47 -0.76 0.00 0.00 175.35 173.89 2rp3 s TYR 100 N -3.30 3.02 0.00 3.18 5.04 -1.26 -0.04 117.35 123.98 2rp3 s TYR 100 Ca 0.31 -0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 2rp3 s TYR 100 Cb 0.06 -1.91 0.00 0.00 0.35 0.00 0.00 41.96 40.46 2rp3 s TYR 100 CO 0.15 0.05 0.45 0.39 -1.34 0.00 0.00 175.55 175.25