#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 1.97 4.25 -0.72 0.00 -1.21 -4.76 105.19 104.72 2rp3 n GLY 2 Ca 0.00 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 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 12.52 -0.82 0.02 1.61 4.76 -0.50 -4.13 118.16 131.62 2rp3 n LYS 3 Ca 0.00 0.11 0.01 0.00 -2.87 0.00 0.00 58.31 55.56 2rp3 n LYS 3 Cb 0.00 -3.90 0.32 0.00 -1.84 0.00 0.00 35.03 29.61 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 -1.11 0.50 -0.54 2.13 -0.00 -1.66 -2.19 116.94 114.06 2rp3 h PHE 4 Ca -0.57 -0.04 0.16 0.00 -0.00 0.00 0.00 57.97 57.51 2rp3 h PHE 4 Cb 1.28 -0.15 -0.02 0.00 -0.00 0.00 0.00 35.95 37.06 2rp3 h PHE 4 CO 0.58 0.49 0.46 1.03 -0.00 0.00 0.00 178.31 180.87 2rp3 h SER 5 N 0.47 0.00 0.20 -0.68 0.87 -1.84 0.24 113.55 112.81 2rp3 h SER 5 Ca 0.10 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.63 2rp3 h SER 5 Cb 0.30 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2rp3 h SER 5 CO 0.01 0.00 -0.17 1.56 -0.53 0.00 0.00 176.83 177.70 2rp3 h GLN 6 N 0.00 0.00 -0.02 2.24 4.20 -1.76 -2.97 115.11 116.80 2rp3 h GLN 6 Ca 0.26 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.87 2rp3 h GLN 6 Cb 1.18 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 28.76 2rp3 h GLN 6 CO -0.00 0.17 -0.78 -2.37 -0.67 0.00 0.00 178.83 175.18 2rp3 n THR 7 N -4.22 1.15 -3.80 -0.54 5.66 0.56 -5.03 114.28 108.05 2rp3 n THR 7 Ca -0.02 -2.19 -0.14 0.00 -3.05 0.00 0.00 64.05 58.65 2rp3 n THR 7 Cb 0.24 0.36 -0.15 0.00 -1.55 0.00 0.00 70.33 69.24 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 0.70 1.33 -1.31 0.00 1.13 0.42 -4.58 117.35 115.05 2rp3 s TYR 9 Ca -0.06 -1.14 -0.05 0.00 -1.41 0.00 0.00 57.07 54.41 2rp3 s TYR 9 Cb -0.08 -0.76 0.01 0.00 -1.10 0.00 0.00 41.96 40.04 2rp3 s TYR 9 CO -0.02 -0.33 1.03 -1.71 -2.51 0.00 0.00 175.55 172.01 2rp3 n ASN 10 N -0.33 -3.88 -4.82 -0.18 5.15 -1.26 -1.02 115.26 108.92 2rp3 n ASN 10 Ca -0.03 -0.63 -0.33 0.00 -0.60 0.00 0.00 54.58 52.99 2rp3 n ASN 10 Cb 0.65 -4.84 -0.05 0.00 -0.53 0.00 0.00 39.78 35.01 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 -3.86 6.68 -0.00 1.20 1.04 -1.26 -3.99 113.70 113.50 2rp3 s SER 11 Ca 0.29 1.75 -0.18 0.00 0.48 0.00 0.00 55.95 58.29 2rp3 s SER 11 Cb -0.13 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 63.48 2rp3 s SER 11 CO 0.75 -0.55 0.39 0.00 0.98 0.00 0.00 173.24 174.81 2rp3 s ALA 12 N -2.19 -0.97 -0.02 5.32 0.00 0.16 -4.96 121.76 119.10 2rp3 s ALA 12 Ca 0.63 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 53.03 2rp3 s ALA 12 Cb -0.11 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.16 2rp3 s ALA 12 CO 0.18 -0.33 0.04 0.42 0.00 0.00 0.00 175.76 176.07 2rp3 s ILE 13 N -1.66 -0.02 -0.40 0.00 1.01 -1.26 -0.67 121.20 118.20 2rp3 s ILE 13 Ca -0.11 0.06 0.05 0.00 0.00 0.00 0.00 60.65 60.65 2rp3 s ILE 13 Cb -0.03 -0.07 0.17 0.00 0.01 0.00 0.00 42.46 42.54 2rp3 s ILE 13 CO 0.03 0.02 0.50 -1.58 0.00 0.00 0.00 174.94 173.92 2rp3 s GLN 14 N 0.31 0.76 0.00 2.79 -0.44 -1.19 -4.35 119.66 117.55 2rp3 s GLN 14 Ca -0.02 -0.72 0.00 0.00 -2.50 0.00 0.00 55.36 52.12 2rp3 s GLN 14 Cb -0.04 -0.38 0.00 0.00 -1.64 0.00 0.00 33.01 30.95 2rp3 s GLN 14 CO -0.01 -1.22 0.00 0.41 0.50 0.00 0.00 175.29 174.97 2rp3 n GLY 15 N 4.12 2.03 0.86 2.59 0.00 -1.26 -4.24 105.19 109.29 2rp3 n GLY 15 Ca 0.13 -0.63 -0.05 0.00 0.00 0.00 0.00 46.02 45.47 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 3.44 -0.66 -4.00 1.61 3.41 -1.26 -4.75 113.62 111.41 2rp3 n SER 16 Ca 0.00 -1.71 -0.29 0.00 -0.26 0.00 0.00 58.87 56.61 2rp3 n SER 16 Cb 0.00 0.20 -0.17 0.00 -0.26 0.00 0.00 64.21 63.98 2rp3 n SER 16 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2rp3 s VAL 17 N 0.00 1.44 -0.12 -3.33 1.01 -1.26 -0.70 120.40 117.44 2rp3 s VAL 17 Ca 0.01 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.29 2rp3 s VAL 17 Cb 0.01 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 2rp3 s VAL 17 CO -0.00 0.44 0.33 -0.22 0.00 0.00 0.00 175.10 175.64 2rp3 s LEU 18 N 1.44 4.31 -0.03 3.92 0.20 -0.62 -3.17 118.68 124.73 2rp3 s LEU 18 Ca 0.03 0.64 -0.00 0.00 0.69 0.00 0.00 54.13 55.49 2rp3 s LEU 18 Cb -0.13 -2.43 0.03 0.00 -0.43 0.00 0.00 46.19 43.22 2rp3 s LEU 18 CO -0.09 0.17 0.01 -0.89 -0.29 0.00 0.00 176.35 175.26 2rp3 s THR 19 N -0.01 0.16 -0.18 3.68 2.01 0.16 -1.08 115.64 120.38 2rp3 s THR 19 Ca 0.19 0.13 -0.20 0.00 0.31 0.00 0.00 61.69 62.12 2rp3 s THR 19 Cb -0.14 -0.28 0.05 0.00 0.01 0.00 0.00 72.50 72.14 2rp3 s THR 19 CO 0.07 0.16 0.55 -0.55 -0.69 0.00 0.00 174.62 174.15 2rp3 s SER 20 N 1.24 -0.56 -0.12 3.53 0.15 -1.17 0.36 113.70 117.13 2rp3 s SER 20 Ca -0.07 1.00 -0.29 0.00 0.70 0.00 0.00 55.95 57.28 2rp3 s SER 20 Cb -0.13 1.01 -0.01 0.00 -1.71 0.00 0.00 66.02 65.17 2rp3 s SER 20 CO -0.02 -0.26 1.10 -0.89 1.20 0.00 0.00 173.24 174.37 2rp3 s THR 21 N 0.01 4.55 0.13 6.45 2.01 -0.19 -3.85 115.64 124.76 2rp3 s THR 21 Ca -0.02 1.85 0.09 0.00 0.31 0.00 0.00 61.69 63.92 2rp3 s THR 21 Cb -0.04 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 2rp3 s THR 21 CO 0.02 -0.05 -0.22 0.00 -0.69 0.00 0.00 174.62 173.68 2rp3 s GLU 23 N -2.20 4.19 0.71 0.00 2.02 -1.09 -1.76 118.70 120.57 2rp3 s GLU 23 Ca 0.11 1.87 -0.13 0.00 0.02 0.00 0.00 54.97 56.83 2rp3 s GLU 23 Cb -0.09 -3.87 0.02 0.00 0.10 0.00 0.00 34.13 30.30 2rp3 s GLU 23 CO 0.06 -0.79 1.11 1.03 0.02 0.00 0.00 175.26 176.68 2rp3 s ARG 24 N 3.78 2.55 0.02 1.61 0.52 0.14 -3.34 118.95 124.22 2rp3 s ARG 24 Ca 0.63 1.32 0.17 0.00 -0.52 0.00 0.00 55.73 57.33 2rp3 s ARG 24 Cb -0.26 -1.92 -0.17 0.00 0.52 0.00 0.00 34.95 33.11 2rp3 s ARG 24 CO 0.21 -1.44 0.69 2.41 0.02 0.00 0.00 175.30 177.19 2rp3 n THR 25 N -2.87 1.10 -0.04 0.02 -1.04 -1.25 -4.63 114.28 105.56 2rp3 n THR 25 Ca 0.10 -0.69 -0.08 0.00 -2.04 0.00 0.00 64.05 61.33 2rp3 n THR 25 Cb 0.52 -0.63 -0.03 0.00 -1.82 0.00 0.00 70.33 68.38 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 -2.81 1.42 0.00 8.00 5.15 -1.26 -5.06 115.26 120.71 2rp3 n ASN 26 Ca -0.12 0.23 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 2rp3 n ASN 26 Cb 0.86 -0.53 0.00 0.00 -0.53 0.00 0.00 39.78 39.58 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 2.29 0.89 0.00 8.20 0.00 -1.26 -5.12 105.19 110.19 2rp3 n GLY 27 Ca -0.14 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 5.00 0.73 3.63 -0.02 0.00 -1.26 -4.69 105.19 108.58 2rp3 n GLY 28 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 1.32 3.02 -0.04 1.61 2.02 -1.26 0.25 117.35 124.27 2rp3 s TYR 29 Ca 0.00 0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.78 2rp3 s TYR 29 Cb 0.00 -1.71 0.03 0.00 -0.40 0.00 0.00 41.96 39.87 2rp3 s TYR 29 CO 0.00 0.40 -0.02 1.21 -1.57 0.00 0.00 175.55 175.58 2rp3 s ASN 30 N -1.05 0.82 -0.63 2.29 2.47 -0.72 -4.89 114.94 113.23 2rp3 s ASN 30 Ca 0.15 -0.07 -0.05 0.00 0.42 0.00 0.00 52.86 53.30 2rp3 s ASN 30 Cb -0.11 -0.34 0.16 0.00 -1.45 0.00 0.00 41.25 39.51 2rp3 s ASN 30 CO 0.04 -0.10 0.47 -0.89 -3.72 0.00 0.00 177.10 172.90 2rp3 s THR 31 N 1.15 4.05 0.54 -5.21 2.01 -1.26 -1.19 115.64 115.73 2rp3 s THR 31 Ca -0.08 -2.68 0.08 0.00 0.31 0.00 0.00 61.69 59.32 2rp3 s THR 31 Cb -0.14 -3.62 0.08 0.00 0.01 0.00 0.00 72.50 68.83 2rp3 s THR 31 CO -0.02 -0.88 0.64 -1.20 -0.69 0.00 0.00 174.62 172.48 2rp3 n SER 32 N 3.80 2.18 -3.90 3.53 7.64 -1.25 -4.92 113.62 120.70 2rp3 n SER 32 Ca 0.06 -2.54 -0.11 0.00 1.01 0.00 0.00 58.87 57.30 2rp3 n SER 32 Cb 0.40 -0.29 -0.11 0.00 -1.01 0.00 0.00 64.21 63.20 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 -4.27 0.08 -0.07 6.43 1.04 -1.26 -3.03 113.70 112.62 2rp3 s SER 33 Ca 0.49 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.67 2rp3 s SER 33 Cb -0.04 0.17 0.02 0.00 0.10 0.00 0.00 66.02 66.27 2rp3 s SER 33 CO 0.31 -0.30 -0.07 -0.51 0.98 0.00 0.00 173.24 173.65 2rp3 s ILE 34 N -1.21 0.80 -0.19 -1.02 -1.16 -0.24 -4.86 121.20 113.32 2rp3 s ILE 34 Ca -0.13 -0.22 -0.29 0.00 -0.51 0.00 0.00 60.65 59.50 2rp3 s ILE 34 Cb -0.07 -0.82 -0.02 0.00 0.61 0.00 0.00 42.46 42.16 2rp3 s ILE 34 CO 0.01 0.31 1.43 -0.62 -2.81 0.00 0.00 174.94 173.25 2rp3 s ASP 35 N 1.27 6.70 0.08 4.50 -1.08 -1.26 -1.59 116.67 125.29 2rp3 s ASP 35 Ca -0.04 1.66 0.22 0.00 -0.52 0.00 0.00 52.55 53.86 2rp3 s ASP 35 Cb -0.14 -2.54 0.89 0.00 -1.46 0.00 0.00 42.92 39.67 2rp3 s ASP 35 CO -0.02 -0.98 1.68 0.18 0.52 0.00 0.00 175.17 176.55 2rp3 n LEU 36 N 7.38 0.24 0.21 -1.34 4.77 0.12 -2.77 117.00 125.62 2rp3 n LEU 36 Ca 0.16 0.54 0.07 0.00 -0.03 0.00 0.00 56.01 56.75 2rp3 n LEU 36 Cb 0.45 -0.49 0.48 0.00 -2.33 0.00 0.00 43.42 41.53 2rp3 n LEU 36 CO 0.61 -0.24 0.80 -1.13 -1.33 0.00 0.00 177.39 176.10 2rp3 h ASN 37 N 0.00 0.00 -0.03 -1.43 -0.73 -1.86 -0.51 115.58 111.01 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 0.41 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.00 2rp3 h ASN 37 CO 0.00 0.28 0.00 -0.24 -0.37 0.00 0.00 177.43 177.10 2rp3 n SER 38 N -3.76 0.86 -0.07 1.15 2.88 -1.12 -3.42 113.62 110.13 2rp3 n SER 38 Ca -0.01 -1.37 0.00 0.00 -1.33 0.00 0.00 58.87 56.16 2rp3 n SER 38 Cb 0.38 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 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 -0.30 0.00 -4.35 2.46 0.24 -0.75 -4.65 118.33 110.99 2rp3 n VAL 39 Ca 0.19 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.31 2rp3 n VAL 39 Cb 0.23 0.78 -0.15 0.00 -1.47 0.00 0.00 33.84 33.24 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 0.69 0.06 1.34 -1.09 0.77 -2.32 121.20 120.65 2rp3 s ILE 40 Ca 0.00 -0.36 0.07 0.00 -2.23 0.00 0.00 60.65 58.13 2rp3 s ILE 40 Cb 0.00 -0.58 -0.03 0.00 -1.58 0.00 0.00 42.46 40.27 2rp3 s ILE 40 CO 0.00 0.20 -0.18 0.00 -1.23 0.00 0.00 174.94 173.72 2rp3 s ALA 41 N -0.13 1.57 -0.35 9.38 0.00 -0.77 -2.16 121.76 129.29 2rp3 s ALA 41 Ca 0.02 -1.06 -0.09 0.00 0.00 0.00 0.00 51.96 50.83 2rp3 s ALA 41 Cb -0.04 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.86 2rp3 s ALA 41 CO -0.00 0.32 0.16 0.00 0.00 0.00 0.00 175.76 176.23 2rp3 s ALA 42 N -0.98 3.18 -0.30 0.00 0.00 -1.26 -2.21 121.76 120.18 2rp3 s ALA 42 Ca 0.05 -1.68 0.01 0.00 0.00 0.00 0.00 51.96 50.34 2rp3 s ALA 42 Cb -0.09 -2.43 0.09 0.00 0.00 0.00 0.00 23.12 20.69 2rp3 s ALA 42 CO 0.02 -1.29 0.05 0.08 0.00 0.00 0.00 175.76 174.63 2rp3 s VAL 43 N 1.50 1.53 -1.26 0.00 1.01 -0.88 -4.76 120.40 117.54 2rp3 s VAL 43 Ca 0.01 -1.71 -0.01 0.00 0.00 0.00 0.00 61.98 60.27 2rp3 s VAL 43 Cb -0.19 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.12 2rp3 s VAL 43 CO 0.05 -0.53 0.17 -0.67 0.00 0.00 0.00 175.10 174.12 2rp3 n ASP 44 N 4.59 -4.77 -0.41 3.32 2.03 -1.26 -2.84 116.55 117.20 2rp3 n ASP 44 Ca -0.02 -0.09 -0.00 0.00 0.52 0.00 0.00 54.79 55.20 2rp3 n ASP 44 Cb 0.42 -3.80 0.00 0.00 -0.72 0.00 0.00 41.12 37.03 2rp3 n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rp3 n GLY 45 N -1.13 0.78 2.74 0.27 0.00 -1.17 -4.54 105.19 102.13 2rp3 n GLY 45 Ca -0.15 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 44.96 2rp3 n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rp3 s SER 46 N -3.00 0.93 -0.29 1.61 0.15 -1.13 -4.66 113.70 107.31 2rp3 s SER 46 Ca 0.01 0.02 -0.21 0.00 0.70 0.00 0.00 55.95 56.46 2rp3 s SER 46 Cb -0.00 -0.21 -0.01 0.00 -1.71 0.00 0.00 66.02 64.09 2rp3 s SER 46 CO 0.01 -0.19 0.69 -0.76 1.20 0.00 0.00 173.24 174.19 2rp3 s LEU 47 N 1.73 4.10 0.32 3.45 1.43 -1.26 -2.08 118.68 126.37 2rp3 s LEU 47 Ca -0.00 0.61 0.11 0.00 -1.03 0.00 0.00 54.13 53.81 2rp3 s LEU 47 Cb -0.13 -2.92 -0.06 0.00 0.03 0.00 0.00 46.19 43.11 2rp3 s LEU 47 CO -0.03 -0.49 -0.13 -0.54 0.23 0.00 0.00 176.35 175.39 2rp3 s LYS 48 N 2.69 1.78 0.00 1.70 -0.14 -0.94 -4.84 119.74 119.99 2rp3 s LYS 48 Ca 0.28 -1.85 0.00 0.00 -1.36 0.00 0.00 55.97 53.04 2rp3 s LYS 48 Cb -0.15 -1.75 0.00 0.00 -1.68 0.00 0.00 37.83 34.25 2rp3 s LYS 48 CO 0.11 0.22 0.00 0.91 -0.76 0.00 0.00 175.35 175.83 2rp3 n TRP 49 N -0.73 -1.19 -3.62 3.18 7.02 -1.26 -1.85 117.44 118.98 2rp3 n TRP 49 Ca -0.05 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.26 2rp3 n TRP 49 Cb 0.62 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.51 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 -0.31 -0.68 -3.24 -0.99 10.64 -0.98 -4.49 117.38 117.32 2rp3 n GLN 50 Ca 0.00 -0.09 -0.04 0.00 -1.83 0.00 0.00 57.00 55.04 2rp3 n GLN 50 Cb 0.00 -0.63 0.02 0.00 -0.86 0.00 0.00 30.24 28.77 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 -1.29 0.93 3.81 2.61 0.00 -1.21 -4.92 105.19 105.13 2rp3 n GLY 51 Ca -0.08 -1.14 -0.08 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.77 -0.12 -0.75 1.61 1.04 -0.92 -0.16 113.70 111.62 2rp3 s SER 52 Ca 0.16 -0.85 -0.01 0.00 0.48 0.00 0.00 55.95 55.73 2rp3 s SER 52 Cb -0.03 0.76 -0.01 0.00 0.10 0.00 0.00 66.02 66.84 2rp3 s SER 52 CO 0.06 -1.45 0.63 -3.20 0.98 0.00 0.00 173.24 170.26 2rp3 n ASN 53 N -0.82 -2.91 -0.06 7.02 5.15 -1.22 -4.45 115.26 117.97 2rp3 n ASN 53 Ca -0.05 -0.42 -0.07 0.00 -0.60 0.00 0.00 54.58 53.43 2rp3 n ASN 53 Cb 0.60 -3.53 -0.06 0.00 -0.53 0.00 0.00 39.78 36.25 2rp3 n ASN 53 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 2rp3 n PHE 54 N -2.91 0.00 0.08 1.20 1.16 -1.25 -4.23 117.46 111.51 2rp3 n PHE 54 Ca -0.15 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.46 2rp3 n PHE 54 Cb 0.60 -0.47 0.40 0.00 -1.61 0.00 0.00 39.48 38.39 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 1.15 -0.22 1.97 6.09 -1.88 -0.17 117.51 124.45 2rp3 h ILE 55 Ca -0.27 -0.60 0.06 0.00 -1.37 0.00 0.00 64.86 62.68 2rp3 h ILE 55 Cb 1.48 0.99 -0.01 0.00 0.47 0.00 0.00 36.82 39.76 2rp3 h ILE 55 CO -0.02 0.20 0.27 -0.33 -3.07 0.00 0.00 178.15 175.20 2rp3 h GLU 56 N 0.33 0.00 0.00 2.19 4.39 -1.98 0.21 114.58 119.72 2rp3 h GLU 56 Ca 0.08 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2rp3 h GLU 56 Cb 0.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2rp3 h GLU 56 CO 0.01 0.00 -0.20 0.00 -1.16 0.00 0.00 179.01 177.66 2rp3 n ALA 57 N -2.28 2.62 -2.20 3.43 0.00 -0.16 -5.05 120.51 116.86 2rp3 n ALA 57 Ca 0.03 -2.69 -0.12 0.00 0.00 0.00 0.00 53.44 50.66 2rp3 n ALA 57 Cb 0.40 -0.39 -0.10 0.00 0.00 0.00 0.00 19.45 19.36 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 -3.89 1.85 -1.07 0.00 3.03 -0.56 -4.83 118.95 113.48 2rp3 s ARG 59 Ca 0.18 -1.13 -0.16 0.00 2.03 0.00 0.00 55.73 56.66 2rp3 s ARG 59 Cb 0.06 0.59 -0.02 0.00 -1.03 0.00 0.00 34.95 34.55 2rp3 s ARG 59 CO -0.00 -0.84 0.80 0.09 -1.13 0.00 0.00 175.30 174.22 2rp3 n ASN 60 N -0.66 -5.77 -4.88 -2.89 3.02 -1.26 -2.10 115.26 100.72 2rp3 n ASN 60 Ca -0.04 -0.88 -0.36 0.00 -0.03 0.00 0.00 54.58 53.26 2rp3 n ASN 60 Cb 0.60 -3.78 -0.06 0.00 -0.61 0.00 0.00 39.78 35.93 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 -3.39 5.39 0.36 3.41 -4.23 -1.26 -4.11 115.64 111.82 2rp3 s THR 61 Ca 0.41 0.21 -0.14 0.00 -1.18 0.00 0.00 61.69 60.99 2rp3 s THR 61 Cb -0.13 -3.50 0.04 0.00 1.34 0.00 0.00 72.50 70.26 2rp3 s THR 61 CO 0.83 0.51 0.73 0.00 -0.54 0.00 0.00 174.62 176.15 2rp3 s GLN 62 N -1.36 2.12 -0.15 3.99 -2.07 -0.35 -4.25 119.66 117.59 2rp3 s GLN 62 Ca 0.21 -1.43 -0.16 0.00 -1.82 0.00 0.00 55.36 52.16 2rp3 s GLN 62 Cb -0.13 0.59 -0.04 0.00 -1.09 0.00 0.00 33.01 32.34 2rp3 s GLN 62 CO 0.10 -0.97 0.39 -1.17 -1.32 0.00 0.00 175.29 172.32 2rp3 s LEU 63 N -3.07 4.24 -0.09 2.60 2.96 -1.26 -2.07 118.68 121.98 2rp3 s LEU 63 Ca 0.17 0.63 0.04 0.00 -0.22 0.00 0.00 54.13 54.76 2rp3 s LEU 63 Cb -0.04 -2.53 -0.00 0.00 0.50 0.00 0.00 46.19 44.11 2rp3 s LEU 63 CO 0.12 0.02 -0.24 0.00 -1.32 0.00 0.00 176.35 174.93 2rp3 s ALA 64 N 0.71 2.18 0.00 5.97 0.00 -0.09 -4.80 121.76 125.72 2rp3 s ALA 64 Ca 0.21 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2rp3 s ALA 64 Cb -0.14 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.18 2rp3 s ALA 64 CO 0.07 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.55 2rp3 n GLY 65 N 3.44 1.18 0.00 0.00 0.00 -1.26 -2.04 105.19 106.51 2rp3 n GLY 65 Ca -0.19 -0.01 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 -1.26 0.00 0.00 0.00 173.32 172.06 2rp3 n SER 66 N 2.58 0.00 -0.95 1.61 2.88 -1.26 -4.97 113.62 113.51 2rp3 n SER 66 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 2rp3 n SER 66 Cb 0.00 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.56 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 0.00 1.28 -4.43 -3.46 3.41 -1.24 -4.89 113.62 104.30 2rp3 n SER 67 Ca 0.00 -2.81 -0.29 0.00 -0.26 0.00 0.00 58.87 55.51 2rp3 n SER 67 Cb 0.00 -0.39 -0.12 0.00 -0.26 0.00 0.00 64.21 63.44 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 -1.46 1.56 -0.32 4.33 2.02 -0.87 0.67 118.70 124.63 2rp3 s GLU 68 Ca 0.32 -1.28 -0.01 0.00 0.02 0.00 0.00 54.97 54.02 2rp3 s GLU 68 Cb 0.34 -1.99 0.07 0.00 0.10 0.00 0.00 34.13 32.65 2rp3 s GLU 68 CO -0.10 0.46 0.04 -1.17 0.02 0.00 0.00 175.26 174.51 2rp3 s LEU 69 N -2.10 4.20 -0.16 1.80 1.98 0.16 -0.91 118.68 123.64 2rp3 s LEU 69 Ca 0.16 -1.50 -0.09 0.00 -2.89 0.00 0.00 54.13 49.80 2rp3 s LEU 69 Cb -0.10 -1.72 -0.05 0.00 0.66 0.00 0.00 46.19 44.99 2rp3 s LEU 69 CO 0.08 -0.32 0.15 0.00 -1.89 0.00 0.00 176.35 174.37 2rp3 s ALA 70 N 1.19 3.76 0.25 5.97 0.00 -0.88 -2.80 121.76 129.25 2rp3 s ALA 70 Ca -0.02 -0.64 -0.21 0.00 0.00 0.00 0.00 51.96 51.09 2rp3 s ALA 70 Cb -0.20 -2.11 0.06 0.00 0.00 0.00 0.00 23.12 20.87 2rp3 s ALA 70 CO -0.03 0.35 0.89 0.00 0.00 0.00 0.00 175.76 176.98 2rp3 s ALA 71 N -0.23 -1.30 -0.17 0.00 0.00 -0.58 -1.21 121.76 118.27 2rp3 s ALA 71 Ca 0.12 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.75 2rp3 s ALA 71 Cb -0.12 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.73 2rp3 s ALA 71 CO 0.01 -1.03 -0.18 -1.21 0.00 0.00 0.00 175.76 173.35 2rp3 s GLU 72 N -2.79 3.08 0.02 0.00 2.02 -0.89 -0.53 118.70 119.61 2rp3 s GLU 72 Ca 0.16 -0.80 0.08 0.00 0.02 0.00 0.00 54.97 54.42 2rp3 s GLU 72 Cb -0.04 -2.59 -0.03 0.00 0.10 0.00 0.00 34.13 31.58 2rp3 s GLU 72 CO 0.07 -0.11 -0.22 0.00 0.02 0.00 0.00 175.26 175.02 2rp3 s LYS 74 N -1.17 4.45 0.89 0.00 2.20 -0.20 -2.18 119.74 123.73 2rp3 s LYS 74 Ca 0.13 1.84 -0.13 0.00 -0.36 0.00 0.00 55.97 57.44 2rp3 s LYS 74 Cb -0.10 -3.29 0.13 0.00 -1.51 0.00 0.00 37.83 33.05 2rp3 s LYS 74 CO 0.03 -0.19 1.17 0.95 -0.36 0.00 0.00 175.35 176.94 2rp3 s THR 75 N 0.55 1.99 0.57 3.43 -4.23 0.24 -3.03 115.64 115.16 2rp3 s THR 75 Ca 0.56 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 61.36 2rp3 s THR 75 Cb -0.31 -2.85 0.35 0.00 1.34 0.00 0.00 72.50 71.02 2rp3 s THR 75 CO 0.32 0.00 2.24 0.00 -0.54 0.00 0.00 174.62 176.64 2rp3 h ALA 76 N -1.38 1.52 0.00 3.99 0.00 -1.88 0.26 119.26 121.76 2rp3 h ALA 76 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2rp3 h ALA 76 Cb 1.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2rp3 h ALA 76 CO 0.61 0.02 -0.49 0.00 0.00 0.00 0.00 179.25 179.38 2rp3 n ALA 77 N -2.33 2.82 0.00 0.00 0.00 -1.26 -4.94 120.51 114.80 2rp3 n ALA 77 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2rp3 n ALA 77 Cb 0.10 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 1.34 1.72 3.15 0.00 0.00 0.08 -5.12 105.19 106.36 2rp3 n GLY 78 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.65 2.25 -0.29 1.61 -0.21 -1.25 -4.78 119.66 116.34 2rp3 s GLN 79 Ca 0.00 -0.67 -0.27 0.00 0.02 0.00 0.00 55.36 54.43 2rp3 s GLN 79 Cb 0.00 -1.82 0.01 0.00 1.00 0.00 0.00 33.01 32.20 2rp3 s GLN 79 CO 0.00 0.18 0.99 -0.06 -2.12 0.00 0.00 175.29 174.27 2rp3 s PHE 80 N 0.29 3.22 0.56 0.91 0.08 -1.26 0.82 117.98 122.61 2rp3 s PHE 80 Ca -0.12 1.18 0.06 0.00 0.12 0.00 0.00 56.93 58.18 2rp3 s PHE 80 Cb -0.15 -3.43 0.06 0.00 -0.57 0.00 0.00 43.02 38.92 2rp3 s PHE 80 CO 0.05 -0.62 0.48 0.14 -0.10 0.00 0.00 175.22 175.17 2rp3 s VAL 81 N 3.32 1.63 -0.39 -0.44 -7.23 -0.93 -4.90 120.40 111.47 2rp3 s VAL 81 Ca 0.41 -1.41 -0.17 0.00 -1.81 0.00 0.00 61.98 59.01 2rp3 s VAL 81 Cb -0.14 -2.04 0.01 0.00 0.56 0.00 0.00 36.38 34.77 2rp3 s VAL 81 CO 0.12 0.00 0.43 -0.44 -0.31 0.00 0.00 175.10 174.90 2rp3 s SER 82 N -4.38 6.21 -0.00 4.85 0.01 -1.26 -3.14 113.70 115.98 2rp3 s SER 82 Ca 0.38 -0.48 0.02 0.00 1.31 0.00 0.00 55.95 57.18 2rp3 s SER 82 Cb -0.03 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 63.94 2rp3 s SER 82 CO 0.24 -0.51 -0.03 0.42 0.41 0.00 0.00 173.24 173.77 2rp3 s THR 83 N 2.15 3.95 0.04 1.44 -4.23 0.30 -5.00 115.64 114.29 2rp3 s THR 83 Ca 0.13 -0.67 -0.00 0.00 -1.18 0.00 0.00 61.69 59.97 2rp3 s THR 83 Cb -0.17 -2.75 -0.03 0.00 1.34 0.00 0.00 72.50 70.90 2rp3 s THR 83 CO 0.13 0.39 -0.03 -1.59 -0.54 0.00 0.00 174.62 172.97 2rp3 s LYS 84 N -1.49 0.49 -0.26 3.99 0.00 -1.26 -1.53 119.74 119.69 2rp3 s LYS 84 Ca 0.18 -0.96 -0.26 0.00 0.00 0.00 0.00 55.97 54.94 2rp3 s LYS 84 Cb -0.11 0.13 0.10 0.00 0.00 0.00 0.00 37.83 37.95 2rp3 s LYS 84 CO 0.09 -0.08 0.92 -1.50 0.00 0.00 0.00 175.35 174.78 2rp3 s ILE 85 N -2.80 0.00 -0.29 3.79 2.07 -1.12 -4.75 121.20 118.09 2rp3 s ILE 85 Ca -0.03 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 58.93 2rp3 s ILE 85 Cb -0.00 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.60 2rp3 s ILE 85 CO -0.06 0.00 1.00 0.21 -1.91 0.00 0.00 174.94 174.18 2rp3 s ASN 86 N 0.08 6.92 0.40 4.50 3.04 -1.26 -0.67 114.94 127.95 2rp3 s ASN 86 Ca 0.01 1.07 0.13 0.00 0.04 0.00 0.00 52.86 54.11 2rp3 s ASN 86 Cb -0.04 -2.51 0.82 0.00 -1.54 0.00 0.00 41.25 37.97 2rp3 s ASN 86 CO -0.03 -0.76 1.89 -0.07 -3.04 0.00 0.00 177.10 175.10 2rp3 h LEU 87 N 9.75 0.02 -1.10 3.21 3.38 -0.09 -1.63 115.31 128.84 2rp3 h LEU 87 Ca -0.21 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2rp3 h LEU 87 Cb 1.07 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2rp3 h LEU 87 CO 0.98 0.31 0.00 -2.24 0.09 0.00 0.00 178.44 177.58 2rp3 h ASP 88 N 0.01 0.00 -0.07 -0.43 3.04 -1.79 0.12 116.42 117.31 2rp3 h ASP 88 Ca -0.00 0.00 0.02 0.00 -3.24 0.00 0.00 57.03 53.81 2rp3 h ASP 88 Cb 0.53 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.82 2rp3 h ASP 88 CO 0.04 0.00 0.08 -0.78 -2.04 0.00 0.00 179.24 176.54 2rp3 h ASP 89 N 0.00 0.00 0.00 4.15 1.82 -1.62 -1.33 116.42 119.44 2rp3 h ASP 89 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2rp3 h ASP 89 Cb 0.24 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.25 2rp3 h ASP 89 CO 0.00 0.00 0.00 1.41 -1.61 0.00 0.00 179.24 179.04 2rp3 n HIS 90 N -3.82 -0.24 -1.64 0.28 8.25 -1.02 -4.70 115.22 112.32 2rp3 n HIS 90 Ca -0.01 0.00 -0.50 0.00 -0.26 0.00 0.00 57.72 56.95 2rp3 n HIS 90 Cb 0.17 0.11 -0.05 0.00 1.12 0.00 0.00 29.99 31.34 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 -1.72 0.45 -4.38 1.59 2.08 0.39 -2.74 119.36 115.02 2rp3 n ILE 91 Ca 0.00 -0.15 -0.26 0.00 0.56 0.00 0.00 62.75 62.90 2rp3 n ILE 91 Cb 0.00 -1.77 -0.04 0.00 -0.75 0.00 0.00 39.64 37.08 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 7.40 0.48 -4.02 -1.39 0.00 0.62 -1.92 120.51 121.68 2rp3 n ALA 92 Ca 0.27 -1.93 -0.31 0.00 0.00 0.00 0.00 53.44 51.48 2rp3 n ALA 92 Cb 0.26 0.97 -0.16 0.00 0.00 0.00 0.00 19.45 20.53 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 -3.50 3.23 -0.24 0.00 2.47 -1.26 -2.30 114.94 113.34 2rp3 s ASN 93 Ca 0.09 -0.78 -0.03 0.00 0.42 0.00 0.00 52.86 52.56 2rp3 s ASN 93 Cb -0.01 -1.27 0.01 0.00 -1.45 0.00 0.00 41.25 38.53 2rp3 s ASN 93 CO 0.05 -0.10 -0.04 -0.63 -3.72 0.00 0.00 177.10 172.66 2rp3 s ILE 94 N 1.39 3.24 -0.64 -5.21 -1.09 0.11 -4.63 121.20 114.37 2rp3 s ILE 94 Ca 0.01 -0.70 -0.01 0.00 -2.23 0.00 0.00 60.65 57.72 2rp3 s ILE 94 Cb -0.15 -2.54 0.01 0.00 -1.58 0.00 0.00 42.46 38.20 2rp3 s ILE 94 CO -0.09 0.32 0.06 -0.90 -1.23 0.00 0.00 174.94 173.09 2rp3 n ASP 95 N 4.76 -2.60 0.00 3.58 5.68 -1.26 0.91 116.55 127.62 2rp3 n ASP 95 Ca -0.17 0.24 0.00 0.00 -0.50 0.00 0.00 54.79 54.36 2rp3 n ASP 95 Cb 0.49 -2.27 0.00 0.00 -1.14 0.00 0.00 41.12 38.21 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 -0.71 0.64 3.31 6.12 0.00 -1.21 -3.93 105.19 109.41 2rp3 n GLY 96 Ca -0.07 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.00 1.88 -0.13 2.61 -4.23 0.26 -4.25 115.64 109.78 2rp3 s THR 97 Ca 0.00 -1.46 -0.23 0.00 -1.18 0.00 0.00 61.69 58.83 2rp3 s THR 97 Cb 0.00 -1.66 -0.03 0.00 1.34 0.00 0.00 72.50 72.15 2rp3 s THR 97 CO 0.00 0.12 0.69 -0.76 -0.54 0.00 0.00 174.62 174.13 2rp3 s LEU 98 N -1.60 4.23 0.01 4.79 1.43 -1.26 0.09 118.68 126.37 2rp3 s LEU 98 Ca 0.09 1.05 -0.13 0.00 -1.03 0.00 0.00 54.13 54.11 2rp3 s LEU 98 Cb -0.10 -3.02 0.02 0.00 0.03 0.00 0.00 46.19 43.12 2rp3 s LEU 98 CO 0.03 -0.21 0.28 -0.54 0.23 0.00 0.00 176.35 176.15 2rp3 s LYS 99 N 1.37 0.70 0.04 1.70 1.02 -0.97 -4.54 119.74 119.06 2rp3 s LYS 99 Ca 0.34 -0.35 -0.20 0.00 0.02 0.00 0.00 55.97 55.77 2rp3 s LYS 99 Cb -0.17 0.30 -0.06 0.00 -0.52 0.00 0.00 37.83 37.39 2rp3 s LYS 99 CO 0.14 -0.20 0.59 -0.47 -0.92 0.00 0.00 175.35 174.49 2rp3 s TYR 100 N -1.85 3.75 -2.13 3.18 6.14 -1.26 -0.27 117.35 124.91 2rp3 s TYR 100 Ca -0.10 1.25 0.17 0.00 0.64 0.00 0.00 57.07 59.03 2rp3 s TYR 100 Cb -0.04 -2.57 0.13 0.00 0.42 0.00 0.00 41.96 39.91 2rp3 s TYR 100 CO 0.01 0.46 1.04 0.39 0.64 0.00 0.00 175.55 178.09