#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 0.91 4.27 -0.72 0.00 -1.18 -4.81 105.19 103.66 2rp3 n GLY 2 Ca 0.00 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 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 12.42 -2.33 0.01 1.61 4.76 -0.43 -4.28 118.16 129.92 2rp3 n LYS 3 Ca 0.00 0.29 0.02 0.00 -2.87 0.00 0.00 58.31 55.75 2rp3 n LYS 3 Cb 0.00 -4.73 0.38 0.00 -1.84 0.00 0.00 35.03 28.83 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 -1.44 0.50 -0.83 2.13 -0.00 -1.72 -1.81 116.94 113.77 2rp3 h PHE 4 Ca -0.61 -0.01 0.24 0.00 -0.00 0.00 0.00 57.97 57.58 2rp3 h PHE 4 Cb 1.39 -0.16 -0.04 0.00 -0.00 0.00 0.00 35.95 37.14 2rp3 h PHE 4 CO 0.62 0.40 0.59 1.03 -0.00 0.00 0.00 178.31 180.95 2rp3 h SER 5 N 0.51 0.03 0.18 -0.68 0.87 -1.84 0.42 113.55 113.04 2rp3 h SER 5 Ca 0.13 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 2rp3 h SER 5 Cb 0.11 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2rp3 h SER 5 CO -0.01 0.01 -0.11 1.56 -0.53 0.00 0.00 176.83 177.74 2rp3 h GLN 6 N 0.03 0.00 0.00 2.24 4.20 -1.69 -2.93 115.11 116.95 2rp3 h GLN 6 Ca 0.40 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 59.03 2rp3 h GLN 6 Cb 1.54 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 29.16 2rp3 h GLN 6 CO -0.02 0.11 -0.67 -2.37 -0.67 0.00 0.00 178.83 175.21 2rp3 n THR 7 N -4.06 0.88 -4.17 -0.54 5.66 0.90 -5.05 114.28 107.90 2rp3 n THR 7 Ca -0.02 -1.66 -0.16 0.00 -3.05 0.00 0.00 64.05 59.16 2rp3 n THR 7 Cb 0.20 0.41 -0.14 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 -0.24 0.85 -1.35 0.00 1.13 0.34 -4.62 117.35 113.45 2rp3 s TYR 9 Ca 0.01 -1.15 -0.08 0.00 -1.41 0.00 0.00 57.07 54.44 2rp3 s TYR 9 Cb -0.03 -0.34 0.01 0.00 -1.10 0.00 0.00 41.96 40.50 2rp3 s TYR 9 CO -0.00 -0.68 1.15 -1.71 -2.51 0.00 0.00 175.55 171.79 2rp3 n ASN 10 N -0.24 -5.74 -4.81 -0.18 2.85 -1.26 -0.79 115.26 105.09 2rp3 n ASN 10 Ca -0.02 -0.57 -0.31 0.00 -0.11 0.00 0.00 54.58 53.57 2rp3 n ASN 10 Cb 0.64 -4.95 0.06 0.00 1.24 0.00 0.00 39.78 36.77 2rp3 n ASN 10 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2rp3 s SER 11 N -3.45 5.23 0.02 1.20 1.04 -1.26 -4.01 113.70 112.46 2rp3 s SER 11 Ca 0.52 1.67 -0.28 0.00 0.48 0.00 0.00 55.95 58.34 2rp3 s SER 11 Cb -0.23 -2.50 0.07 0.00 0.10 0.00 0.00 66.02 63.46 2rp3 s SER 11 CO 0.74 -1.55 0.68 0.00 0.98 0.00 0.00 173.24 174.09 2rp3 s ALA 12 N -2.99 -1.72 -0.01 5.32 0.00 0.60 -4.94 121.76 118.02 2rp3 s ALA 12 Ca 0.59 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.58 2rp3 s ALA 12 Cb -0.15 0.29 0.02 0.00 0.00 0.00 0.00 23.12 23.28 2rp3 s ALA 12 CO 0.54 -0.52 0.01 0.42 0.00 0.00 0.00 175.76 176.21 2rp3 s ILE 13 N -2.16 0.01 -0.44 0.00 1.01 -1.26 -1.52 121.20 116.83 2rp3 s ILE 13 Ca -0.06 0.10 0.07 0.00 0.00 0.00 0.00 60.65 60.76 2rp3 s ILE 13 Cb -0.00 -0.09 0.18 0.00 0.01 0.00 0.00 42.46 42.56 2rp3 s ILE 13 CO 0.01 0.06 0.60 -1.58 0.00 0.00 0.00 174.94 174.03 2rp3 s GLN 14 N 0.60 0.89 0.00 2.79 2.00 -1.22 -4.28 119.66 120.45 2rp3 s GLN 14 Ca -0.05 -0.80 0.00 0.00 -2.00 0.00 0.00 55.36 52.51 2rp3 s GLN 14 Cb -0.08 -0.21 0.00 0.00 0.80 0.00 0.00 33.01 33.52 2rp3 s GLN 14 CO -0.02 -1.26 0.00 0.41 -0.50 0.00 0.00 175.29 173.93 2rp3 n GLY 15 N 3.73 2.15 0.98 2.59 0.00 -1.26 -4.31 105.19 109.06 2rp3 n GLY 15 Ca 0.15 -0.65 -0.06 0.00 0.00 0.00 0.00 46.02 45.46 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 2.65 -0.91 -3.93 1.61 3.41 -1.26 -4.79 113.62 110.40 2rp3 n SER 16 Ca 0.00 -1.80 -0.27 0.00 -0.26 0.00 0.00 58.87 56.54 2rp3 n SER 16 Cb 0.00 0.28 -0.17 0.00 -0.26 0.00 0.00 64.21 64.06 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 1.11 -0.00 -3.33 1.01 -1.26 -1.28 120.40 116.65 2rp3 s VAL 17 Ca 0.00 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 61.46 2rp3 s VAL 17 Cb 0.01 -1.10 -0.06 0.00 0.00 0.00 0.00 36.38 35.23 2rp3 s VAL 17 CO -0.00 0.38 0.49 -0.22 0.00 0.00 0.00 175.10 175.75 2rp3 s LEU 18 N 1.61 4.45 -0.05 3.92 2.96 -0.94 -3.36 118.68 127.26 2rp3 s LEU 18 Ca 0.04 1.05 -0.02 0.00 -0.22 0.00 0.00 54.13 54.98 2rp3 s LEU 18 Cb -0.13 -2.74 0.04 0.00 0.50 0.00 0.00 46.19 43.86 2rp3 s LEU 18 CO -0.08 0.22 0.09 -0.89 -1.32 0.00 0.00 176.35 174.37 2rp3 s THR 19 N -0.67 -0.13 -0.18 3.68 2.01 -0.58 -1.79 115.64 117.99 2rp3 s THR 19 Ca 0.27 0.35 -0.16 0.00 0.31 0.00 0.00 61.69 62.46 2rp3 s THR 19 Cb -0.17 -0.18 0.05 0.00 0.01 0.00 0.00 72.50 72.20 2rp3 s THR 19 CO 0.15 0.15 0.47 -0.55 -0.69 0.00 0.00 174.62 174.15 2rp3 s SER 20 N 1.92 -0.51 -0.17 3.53 0.15 -1.16 -0.29 113.70 117.18 2rp3 s SER 20 Ca 0.01 0.96 -0.29 0.00 0.70 0.00 0.00 55.95 57.33 2rp3 s SER 20 Cb -0.12 0.96 -0.00 0.00 -1.71 0.00 0.00 66.02 65.14 2rp3 s SER 20 CO -0.04 -0.17 1.08 -0.89 1.20 0.00 0.00 173.24 174.42 2rp3 s THR 21 N 0.40 4.60 0.08 6.45 2.01 0.03 -3.86 115.64 125.35 2rp3 s THR 21 Ca -0.01 1.91 0.09 0.00 0.31 0.00 0.00 61.69 63.98 2rp3 s THR 21 Cb -0.04 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 2rp3 s THR 21 CO -0.01 -0.10 -0.23 0.00 -0.69 0.00 0.00 174.62 173.59 2rp3 s GLU 23 N -1.63 4.27 0.66 0.00 2.02 -1.09 -1.58 118.70 121.35 2rp3 s GLU 23 Ca 0.09 1.95 -0.15 0.00 0.02 0.00 0.00 54.97 56.88 2rp3 s GLU 23 Cb -0.10 -3.63 -0.00 0.00 0.10 0.00 0.00 34.13 30.50 2rp3 s GLU 23 CO 0.04 -0.61 1.11 1.03 0.02 0.00 0.00 175.26 176.84 2rp3 s ARG 24 N 2.64 2.83 -0.00 1.61 0.52 0.19 -3.33 118.95 123.41 2rp3 s ARG 24 Ca 0.64 1.37 0.15 0.00 -0.52 0.00 0.00 55.73 57.37 2rp3 s ARG 24 Cb -0.30 -1.96 -0.19 0.00 0.52 0.00 0.00 34.95 33.02 2rp3 s ARG 24 CO 0.25 -1.23 0.69 2.41 0.02 0.00 0.00 175.30 177.45 2rp3 n THR 25 N -2.42 1.35 -0.06 0.02 -1.04 -1.26 -4.61 114.28 106.26 2rp3 n THR 25 Ca 0.10 -0.74 -0.09 0.00 -2.04 0.00 0.00 64.05 61.28 2rp3 n THR 25 Cb 0.52 -0.82 -0.03 0.00 -1.82 0.00 0.00 70.33 68.18 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 -2.92 1.70 0.00 8.00 5.15 -1.26 -5.05 115.26 120.88 2rp3 n ASN 26 Ca -0.14 0.28 0.00 0.00 -0.60 0.00 0.00 54.58 54.12 2rp3 n ASN 26 Cb 0.94 -0.64 0.00 0.00 -0.53 0.00 0.00 39.78 39.55 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 1.90 0.87 0.00 8.20 0.00 -1.26 -5.12 105.19 109.78 2rp3 n GLY 27 Ca -0.16 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 3.64 -0.02 0.00 -1.26 -4.70 105.19 108.58 2rp3 n GLY 28 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 1.55 3.00 -0.03 1.61 2.02 -1.26 0.57 117.35 124.80 2rp3 s TYR 29 Ca 0.00 0.04 0.01 0.00 -0.37 0.00 0.00 57.07 56.75 2rp3 s TYR 29 Cb 0.00 -1.66 0.03 0.00 -0.40 0.00 0.00 41.96 39.92 2rp3 s TYR 29 CO 0.00 0.41 -0.01 1.21 -1.57 0.00 0.00 175.55 175.59 2rp3 s ASN 30 N -1.34 0.50 -0.53 2.29 2.47 -0.62 -4.86 114.94 112.84 2rp3 s ASN 30 Ca 0.17 -0.05 -0.01 0.00 0.42 0.00 0.00 52.86 53.39 2rp3 s ASN 30 Cb -0.11 -0.26 0.14 0.00 -1.45 0.00 0.00 41.25 39.57 2rp3 s ASN 30 CO 0.07 -0.09 0.32 -0.89 -3.72 0.00 0.00 177.10 172.80 2rp3 s THR 31 N 0.97 3.32 0.42 -5.21 2.01 -1.26 -0.88 115.64 115.00 2rp3 s THR 31 Ca -0.10 -2.76 0.05 0.00 0.31 0.00 0.00 61.69 59.18 2rp3 s THR 31 Cb -0.14 -3.23 0.05 0.00 0.01 0.00 0.00 72.50 69.19 2rp3 s THR 31 CO -0.01 -0.80 0.37 -1.20 -0.69 0.00 0.00 174.62 172.29 2rp3 n SER 32 N 3.75 2.14 -3.75 3.53 7.64 -1.25 -4.94 113.62 120.73 2rp3 n SER 32 Ca 0.05 -2.35 -0.13 0.00 1.01 0.00 0.00 58.87 57.44 2rp3 n SER 32 Cb 0.38 -0.10 -0.09 0.00 -1.01 0.00 0.00 64.21 63.39 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 -3.47 -0.26 -0.07 6.43 1.04 -1.26 -2.99 113.70 113.13 2rp3 s SER 33 Ca 0.28 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.99 2rp3 s SER 33 Cb -0.02 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.55 2rp3 s SER 33 CO 0.18 -0.37 -0.05 -0.51 0.98 0.00 0.00 173.24 173.48 2rp3 s ILE 34 N -0.92 0.65 -0.16 -1.02 1.10 -0.74 -4.91 121.20 115.21 2rp3 s ILE 34 Ca -0.10 -0.13 -0.29 0.00 -0.51 0.00 0.00 60.65 59.62 2rp3 s ILE 34 Cb -0.04 -0.70 -0.03 0.00 0.15 0.00 0.00 42.46 41.84 2rp3 s ILE 34 CO 0.03 0.28 1.51 -0.62 -2.11 0.00 0.00 174.94 174.03 2rp3 s ASP 35 N 1.30 6.64 0.00 4.50 -1.08 -1.26 -2.21 116.67 124.57 2rp3 s ASP 35 Ca -0.04 1.81 0.22 0.00 -0.52 0.00 0.00 52.55 54.01 2rp3 s ASP 35 Cb -0.14 -2.53 1.10 0.00 -1.46 0.00 0.00 42.92 39.89 2rp3 s ASP 35 CO -0.02 -1.01 1.70 0.18 0.52 0.00 0.00 175.17 176.54 2rp3 n LEU 36 N 7.47 0.00 0.24 -1.34 4.77 -0.40 -2.89 117.00 124.85 2rp3 n LEU 36 Ca 0.17 0.28 0.12 0.00 -0.03 0.00 0.00 56.01 56.54 2rp3 n LEU 36 Cb 0.44 -0.28 0.54 0.00 -2.33 0.00 0.00 43.42 41.80 2rp3 n LEU 36 CO 0.61 -0.08 0.86 -1.13 -1.33 0.00 0.00 177.39 176.33 2rp3 h ASN 37 N 0.00 0.00 -0.05 -1.43 -0.00 -1.86 -0.99 115.58 111.25 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 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.52 2rp3 h ASN 37 CO 0.00 0.17 0.00 -1.20 -0.00 0.00 0.00 177.43 176.40 2rp3 n SER 38 N -3.37 1.61 -0.07 1.15 7.64 -1.14 -3.24 113.62 116.19 2rp3 n SER 38 Ca -0.00 -1.57 0.00 0.00 1.01 0.00 0.00 58.87 58.31 2rp3 n SER 38 Cb 0.38 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 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 0.26 0.03 -4.10 0.44 0.24 -0.60 -4.67 118.33 109.94 2rp3 n VAL 39 Ca 0.18 -0.03 -0.16 0.00 -2.04 0.00 0.00 64.34 62.29 2rp3 n VAL 39 Cb 0.36 0.91 -0.15 0.00 -1.47 0.00 0.00 33.84 33.49 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 -0.03 0.34 0.12 1.34 -1.09 0.34 -2.14 121.20 120.07 2rp3 s ILE 40 Ca 0.00 -0.15 0.09 0.00 -2.23 0.00 0.00 60.65 58.36 2rp3 s ILE 40 Cb 0.00 -0.32 -0.04 0.00 -1.58 0.00 0.00 42.46 40.53 2rp3 s ILE 40 CO 0.00 0.12 -0.22 0.00 -1.23 0.00 0.00 174.94 173.60 2rp3 s ALA 41 N 0.13 1.99 -0.34 9.38 0.00 -0.55 -1.69 121.76 130.68 2rp3 s ALA 41 Ca -0.01 -1.34 -0.09 0.00 0.00 0.00 0.00 51.96 50.53 2rp3 s ALA 41 Cb -0.04 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.82 2rp3 s ALA 41 CO -0.00 0.40 0.14 0.00 0.00 0.00 0.00 175.76 176.30 2rp3 s ALA 42 N -1.23 3.17 -0.22 0.00 0.00 -1.26 -2.30 121.76 119.91 2rp3 s ALA 42 Ca 0.10 -1.62 -0.01 0.00 0.00 0.00 0.00 51.96 50.42 2rp3 s ALA 42 Cb -0.10 -2.38 0.06 0.00 0.00 0.00 0.00 23.12 20.71 2rp3 s ALA 42 CO 0.05 -1.21 -0.01 0.08 0.00 0.00 0.00 175.76 174.67 2rp3 s VAL 43 N 1.51 1.13 -1.74 0.00 1.01 -0.95 -4.77 120.40 116.59 2rp3 s VAL 43 Ca 0.01 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2rp3 s VAL 43 Cb -0.19 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.69 2rp3 s VAL 43 CO 0.05 -0.16 0.00 0.47 0.00 0.00 0.00 175.10 175.46 2rp3 n ASP 44 N 4.82 -5.56 -0.41 3.32 9.92 -1.26 -2.02 116.55 125.35 2rp3 n ASP 44 Ca -0.10 0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.24 2rp3 n ASP 44 Cb 0.45 -4.68 0.00 0.00 -0.64 0.00 0.00 41.12 36.25 2rp3 n ASP 44 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2rp3 n GLY 45 N -0.90 0.89 2.69 0.44 0.00 -1.19 -4.51 105.19 102.61 2rp3 n GLY 45 Ca -0.23 -0.68 -0.19 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.96 0.93 -0.21 1.61 0.15 -0.86 -4.66 113.70 107.71 2rp3 s SER 46 Ca 0.00 0.08 -0.25 0.00 0.70 0.00 0.00 55.95 56.48 2rp3 s SER 46 Cb 0.00 -0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.18 2rp3 s SER 46 CO 0.00 -0.23 0.83 -0.76 1.20 0.00 0.00 173.24 174.28 2rp3 s LEU 47 N 1.97 4.12 0.06 3.45 1.43 -1.26 -2.24 118.68 126.22 2rp3 s LEU 47 Ca 0.02 1.09 0.08 0.00 -1.03 0.00 0.00 54.13 54.29 2rp3 s LEU 47 Cb -0.12 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 42.87 2rp3 s LEU 47 CO -0.03 -0.46 -0.21 -0.54 0.23 0.00 0.00 176.35 175.34 2rp3 s LYS 48 N 2.52 1.31 0.28 1.70 -0.14 -0.97 -4.89 119.74 119.54 2rp3 s LYS 48 Ca 0.36 -1.01 -0.05 0.00 -1.36 0.00 0.00 55.97 53.92 2rp3 s LYS 48 Cb -0.16 -1.47 0.07 0.00 -1.68 0.00 0.00 37.83 34.59 2rp3 s LYS 48 CO 0.09 0.37 0.23 0.91 -0.76 0.00 0.00 175.35 176.19 2rp3 n TRP 49 N 1.61 -3.04 -3.45 3.18 7.02 -1.26 -1.49 117.44 120.02 2rp3 n TRP 49 Ca -0.18 -0.21 -0.22 0.00 -1.02 0.00 0.00 57.50 55.88 2rp3 n TRP 49 Cb 0.53 -0.25 -0.04 0.00 -2.42 0.00 0.00 31.31 29.13 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 -2.34 -1.74 -4.42 -0.99 10.64 -0.91 -4.62 117.38 113.00 2rp3 n GLN 50 Ca 0.03 0.07 -0.25 0.00 -1.83 0.00 0.00 57.00 55.02 2rp3 n GLN 50 Cb 0.13 -4.37 -0.07 0.00 -0.86 0.00 0.00 30.24 25.07 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 -0.77 3.18 3.75 2.61 0.00 -1.13 -4.92 105.19 107.91 2rp3 n GLY 51 Ca 0.06 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.90 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 -3.52 0.00 -1.07 1.61 1.04 -0.68 0.13 113.70 111.20 2rp3 s SER 52 Ca 0.24 -0.97 -0.03 0.00 0.48 0.00 0.00 55.95 55.67 2rp3 s SER 52 Cb 0.01 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.88 2rp3 s SER 52 CO 0.17 -1.44 0.91 -3.20 0.98 0.00 0.00 173.24 170.66 2rp3 n ASN 53 N -0.91 -3.30 -0.10 7.02 5.15 -1.20 -4.26 115.26 117.67 2rp3 n ASN 53 Ca -0.05 -0.51 -0.12 0.00 -0.60 0.00 0.00 54.58 53.30 2rp3 n ASN 53 Cb 0.60 -4.43 -0.12 0.00 -0.53 0.00 0.00 39.78 35.30 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 -4.00 0.00 -0.05 1.20 1.16 -1.23 -4.16 117.46 110.38 2rp3 n PHE 54 Ca -0.16 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.39 2rp3 n PHE 54 Cb 0.61 -0.86 0.21 0.00 -1.61 0.00 0.00 39.48 37.84 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 0.00 1.97 6.09 -1.88 -1.09 117.51 123.84 2rp3 h ILE 55 Ca -0.49 -1.00 0.00 0.00 -1.37 0.00 0.00 64.86 62.01 2rp3 h ILE 55 Cb 1.91 1.00 0.00 0.00 0.47 0.00 0.00 36.82 40.20 2rp3 h ILE 55 CO -0.03 0.34 0.05 -1.84 -3.07 0.00 0.00 178.15 173.60 2rp3 n GLU 56 N -4.21 0.00 -0.48 2.19 -0.00 -1.26 -0.51 120.64 116.37 2rp3 n GLU 56 Ca 0.02 0.42 0.02 0.00 -0.00 0.00 0.00 57.16 57.61 2rp3 n GLU 56 Cb 0.31 -1.55 0.03 0.00 -0.00 0.00 0.00 31.44 30.23 2rp3 n GLU 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2rp3 n ALA 57 N -1.41 2.09 -2.21 -1.84 0.00 -0.49 -5.09 120.51 111.55 2rp3 n ALA 57 Ca 0.00 -1.40 -0.12 0.00 0.00 0.00 0.00 53.44 51.91 2rp3 n ALA 57 Cb 0.05 -0.49 -0.10 0.00 0.00 0.00 0.00 19.45 18.91 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 -3.79 1.93 -1.14 0.00 3.03 -0.47 -4.83 118.95 113.69 2rp3 s ARG 59 Ca 0.14 -1.31 -0.16 0.00 2.03 0.00 0.00 55.73 56.44 2rp3 s ARG 59 Cb 0.04 0.57 -0.02 0.00 -1.03 0.00 0.00 34.95 34.51 2rp3 s ARG 59 CO -0.02 -0.87 0.81 0.09 -1.13 0.00 0.00 175.30 174.18 2rp3 n ASN 60 N -0.93 -5.20 -4.85 -2.89 3.02 -1.26 -1.98 115.26 101.18 2rp3 n ASN 60 Ca -0.04 -0.94 -0.37 0.00 -0.03 0.00 0.00 54.58 53.19 2rp3 n ASN 60 Cb 0.60 -3.79 -0.06 0.00 -0.61 0.00 0.00 39.78 35.92 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 -3.48 5.33 0.26 3.41 -4.23 -1.26 -4.17 115.64 111.50 2rp3 s THR 61 Ca 0.43 0.45 -0.17 0.00 -1.18 0.00 0.00 61.69 61.22 2rp3 s THR 61 Cb -0.13 -3.53 0.01 0.00 1.34 0.00 0.00 72.50 70.19 2rp3 s THR 61 CO 0.83 0.58 0.60 0.00 -0.54 0.00 0.00 174.62 176.10 2rp3 s GLN 62 N -0.86 1.65 -0.13 3.99 -2.07 -0.50 -4.34 119.66 117.40 2rp3 s GLN 62 Ca 0.18 -1.07 -0.22 0.00 -1.82 0.00 0.00 55.36 52.42 2rp3 s GLN 62 Cb -0.14 0.55 -0.03 0.00 -1.09 0.00 0.00 33.01 32.30 2rp3 s GLN 62 CO 0.07 -0.72 0.68 -1.17 -1.32 0.00 0.00 175.29 172.83 2rp3 s LEU 63 N -2.95 4.23 -0.07 2.60 2.96 -1.26 -2.17 118.68 122.02 2rp3 s LEU 63 Ca 0.15 1.04 0.04 0.00 -0.22 0.00 0.00 54.13 55.15 2rp3 s LEU 63 Cb -0.03 -3.01 -0.00 0.00 0.50 0.00 0.00 46.19 43.64 2rp3 s LEU 63 CO 0.07 -0.20 -0.21 0.00 -1.32 0.00 0.00 176.35 174.68 2rp3 s ALA 64 N 1.37 1.92 0.00 5.97 0.00 -0.54 -4.85 121.76 125.64 2rp3 s ALA 64 Ca 0.34 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.43 2rp3 s ALA 64 Cb -0.17 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.28 2rp3 s ALA 64 CO 0.14 0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.61 2rp3 n GLY 65 N 3.30 1.20 0.00 0.00 0.00 -1.26 -2.25 105.19 106.18 2rp3 n GLY 65 Ca -0.19 -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 -1.14 0.00 0.00 0.00 173.32 172.18 2rp3 n SER 66 N 2.89 0.00 -0.41 1.61 3.41 -1.26 -4.96 113.62 114.90 2rp3 n SER 66 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 2rp3 n SER 66 Cb 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.02 2rp3 n SER 66 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2rp3 n SER 67 N 0.00 1.07 -4.50 4.04 3.41 -1.25 -4.83 113.62 111.56 2rp3 n SER 67 Ca 0.00 -2.53 -0.32 0.00 -0.26 0.00 0.00 58.87 55.76 2rp3 n SER 67 Cb 0.00 -0.31 -0.12 0.00 -0.26 0.00 0.00 64.21 63.51 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 -1.29 2.37 -0.26 4.33 2.02 -0.96 0.54 118.70 125.46 2rp3 s GLU 68 Ca 0.17 -0.80 -0.06 0.00 0.02 0.00 0.00 54.97 54.30 2rp3 s GLU 68 Cb 0.16 -2.35 -0.01 0.00 0.10 0.00 0.00 34.13 32.03 2rp3 s GLU 68 CO -0.00 0.59 0.04 -1.17 0.02 0.00 0.00 175.26 174.74 2rp3 s LEU 69 N -1.15 3.47 -0.11 1.80 1.98 -0.15 -1.47 118.68 123.06 2rp3 s LEU 69 Ca 0.14 -0.49 -0.02 0.00 -2.89 0.00 0.00 54.13 50.87 2rp3 s LEU 69 Cb -0.11 -1.85 -0.03 0.00 0.66 0.00 0.00 46.19 44.86 2rp3 s LEU 69 CO 0.04 -0.10 -0.02 0.00 -1.89 0.00 0.00 176.35 174.38 2rp3 s ALA 70 N 1.52 3.15 0.25 5.97 0.00 -0.92 -2.25 121.76 129.47 2rp3 s ALA 70 Ca 0.04 -0.83 -0.21 0.00 0.00 0.00 0.00 51.96 50.97 2rp3 s ALA 70 Cb -0.16 -1.47 0.06 0.00 0.00 0.00 0.00 23.12 21.56 2rp3 s ALA 70 CO 0.01 0.46 0.93 0.00 0.00 0.00 0.00 175.76 177.17 2rp3 s ALA 71 N -0.46 -1.32 -0.16 0.00 0.00 -0.55 -1.41 121.76 117.85 2rp3 s ALA 71 Ca 0.08 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.66 2rp3 s ALA 71 Cb -0.12 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.74 2rp3 s ALA 71 CO 0.02 -1.04 -0.18 -1.21 0.00 0.00 0.00 175.76 173.36 2rp3 s GLU 72 N -2.49 2.73 0.03 0.00 2.02 -0.84 -0.33 118.70 119.82 2rp3 s GLU 72 Ca 0.18 -0.73 0.07 0.00 0.02 0.00 0.00 54.97 54.51 2rp3 s GLU 72 Cb -0.03 -2.38 -0.03 0.00 0.10 0.00 0.00 34.13 31.79 2rp3 s GLU 72 CO 0.07 -0.20 -0.20 0.00 0.02 0.00 0.00 175.26 174.95 2rp3 s LYS 74 N -1.31 4.34 0.96 0.00 2.20 -0.31 -2.14 119.74 123.49 2rp3 s LYS 74 Ca 0.13 1.93 -0.13 0.00 -0.36 0.00 0.00 55.97 57.54 2rp3 s LYS 74 Cb -0.10 -3.39 0.17 0.00 -1.51 0.00 0.00 37.83 32.99 2rp3 s LYS 74 CO 0.04 -0.43 1.14 0.95 -0.36 0.00 0.00 175.35 176.69 2rp3 s THR 75 N 1.55 1.95 0.55 3.43 -4.23 0.19 -3.19 115.64 115.89 2rp3 s THR 75 Ca 0.62 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 61.38 2rp3 s THR 75 Cb -0.32 -2.70 0.32 0.00 1.34 0.00 0.00 72.50 71.13 2rp3 s THR 75 CO 0.28 0.00 2.20 0.00 -0.54 0.00 0.00 174.62 176.56 2rp3 h ALA 76 N -1.70 1.65 0.00 3.99 0.00 -1.88 0.03 119.26 121.35 2rp3 h ALA 76 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 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 0.56 0.02 -0.40 0.00 0.00 0.00 0.00 179.25 179.43 2rp3 h ALA 77 N 1.98 0.75 0.00 0.00 0.00 -1.96 -3.48 119.26 116.56 2rp3 h ALA 77 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rp3 h ALA 77 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 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 1.28 1.88 3.21 0.00 0.00 -0.00 -5.12 105.19 106.44 2rp3 n GLY 78 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.70 2.76 -0.27 1.61 -0.21 -1.26 -4.77 119.66 116.83 2rp3 s GLN 79 Ca 0.00 -0.83 -0.29 0.00 0.02 0.00 0.00 55.36 54.26 2rp3 s GLN 79 Cb 0.00 -2.15 0.01 0.00 1.00 0.00 0.00 33.01 31.87 2rp3 s GLN 79 CO 0.00 0.21 1.10 -0.06 -2.12 0.00 0.00 175.29 174.42 2rp3 s PHE 80 N 0.26 3.14 0.48 0.91 0.08 -1.26 0.55 117.98 122.15 2rp3 s PHE 80 Ca -0.15 1.24 0.07 0.00 0.12 0.00 0.00 56.93 58.21 2rp3 s PHE 80 Cb -0.17 -3.55 0.01 0.00 -0.57 0.00 0.00 43.02 38.74 2rp3 s PHE 80 CO 0.07 -0.85 0.39 0.14 -0.10 0.00 0.00 175.22 174.88 2rp3 s VAL 81 N 3.55 2.15 -0.32 -0.44 -7.23 -0.91 -4.89 120.40 112.31 2rp3 s VAL 81 Ca 0.47 -1.43 -0.20 0.00 -1.81 0.00 0.00 61.98 59.01 2rp3 s VAL 81 Cb -0.14 -2.58 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 2rp3 s VAL 81 CO 0.13 0.00 0.61 -0.44 -0.31 0.00 0.00 175.10 175.09 2rp3 s SER 82 N -4.20 6.45 0.02 4.85 0.01 -1.26 -2.86 113.70 116.71 2rp3 s SER 82 Ca 0.42 0.29 0.05 0.00 1.31 0.00 0.00 55.95 58.02 2rp3 s SER 82 Cb -0.02 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 2rp3 s SER 82 CO 0.25 -0.50 -0.12 0.42 0.41 0.00 0.00 173.24 173.70 2rp3 s THR 83 N 2.59 3.23 0.09 1.44 -4.23 0.55 -5.00 115.64 114.32 2rp3 s THR 83 Ca 0.24 -0.96 0.03 0.00 -1.18 0.00 0.00 61.69 59.82 2rp3 s THR 83 Cb -0.15 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 2rp3 s THR 83 CO 0.13 0.38 -0.08 -1.59 -0.54 0.00 0.00 174.62 172.91 2rp3 s LYS 84 N -1.40 0.80 -0.28 3.99 0.00 -1.26 -1.49 119.74 120.10 2rp3 s LYS 84 Ca 0.16 -1.20 -0.20 0.00 0.00 0.00 0.00 55.97 54.73 2rp3 s LYS 84 Cb -0.11 -0.34 0.11 0.00 0.00 0.00 0.00 37.83 37.49 2rp3 s LYS 84 CO 0.06 0.03 0.87 -1.50 0.00 0.00 0.00 175.35 174.81 2rp3 s ILE 85 N -2.90 0.00 -0.22 3.79 2.07 -0.96 -4.72 121.20 118.26 2rp3 s ILE 85 Ca 0.07 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.02 2rp3 s ILE 85 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.60 2rp3 s ILE 85 CO -0.02 0.00 1.10 0.21 -1.91 0.00 0.00 174.94 174.32 2rp3 s ASN 86 N 0.96 7.05 0.36 4.50 3.04 -1.26 -0.98 114.94 128.62 2rp3 s ASN 86 Ca -0.05 1.45 0.13 0.00 0.04 0.00 0.00 52.86 54.44 2rp3 s ASN 86 Cb -0.05 -2.54 0.68 0.00 -1.54 0.00 0.00 41.25 37.81 2rp3 s ASN 86 CO -0.11 -0.70 1.79 -0.07 -3.04 0.00 0.00 177.10 174.97 2rp3 h LEU 87 N 9.55 0.00 -1.88 3.21 3.38 -0.25 -2.36 115.31 126.96 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 41.82 2rp3 h LEU 87 CO 0.98 0.40 0.00 -2.24 0.09 0.00 0.00 178.44 177.67 2rp3 h ASP 88 N 0.00 0.00 -0.22 -0.43 3.04 -1.79 0.62 116.42 117.64 2rp3 h ASP 88 Ca -0.00 0.00 0.06 0.00 -3.24 0.00 0.00 57.03 53.85 2rp3 h ASP 88 Cb 0.73 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.02 2rp3 h ASP 88 CO 0.05 0.00 0.27 -0.78 -2.04 0.00 0.00 179.24 176.74 2rp3 h ASP 89 N 0.00 0.00 0.00 4.15 1.82 -1.76 -1.12 116.42 119.50 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 0.28 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.29 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 -3.67 -0.54 -1.63 0.28 8.25 -1.07 -4.76 115.22 112.08 2rp3 n HIS 90 Ca 0.03 0.00 -0.50 0.00 -0.26 0.00 0.00 57.72 56.99 2rp3 n HIS 90 Cb 0.40 0.27 -0.05 0.00 1.12 0.00 0.00 29.99 31.72 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 -2.04 0.45 -4.45 1.59 2.08 0.19 -2.55 119.36 114.64 2rp3 n ILE 91 Ca 0.00 -0.16 -0.31 0.00 0.56 0.00 0.00 62.75 62.84 2rp3 n ILE 91 Cb 0.00 -1.79 -0.04 0.00 -0.75 0.00 0.00 39.64 37.06 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 7.52 0.60 -4.11 -1.39 0.00 1.00 -2.20 120.51 121.92 2rp3 n ALA 92 Ca 0.28 -2.31 -0.33 0.00 0.00 0.00 0.00 53.44 51.08 2rp3 n ALA 92 Cb 0.27 1.15 -0.16 0.00 0.00 0.00 0.00 19.45 20.71 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 -4.02 3.10 -0.27 0.00 2.47 -1.26 -1.80 114.94 113.16 2rp3 s ASN 93 Ca 0.12 -0.64 0.02 0.00 0.42 0.00 0.00 52.86 52.78 2rp3 s ASN 93 Cb -0.01 -1.46 0.06 0.00 -1.45 0.00 0.00 41.25 38.39 2rp3 s ASN 93 CO 0.08 -0.00 -0.08 -0.63 -3.72 0.00 0.00 177.10 172.74 2rp3 s ILE 94 N 1.30 2.35 -1.48 -5.21 -1.09 0.88 -4.66 121.20 113.29 2rp3 s ILE 94 Ca 0.05 -1.61 0.00 0.00 -2.23 0.00 0.00 60.65 56.86 2rp3 s ILE 94 Cb -0.13 -2.39 0.00 0.00 -1.58 0.00 0.00 42.46 38.36 2rp3 s ILE 94 CO -0.13 -0.06 0.00 0.47 -1.23 0.00 0.00 174.94 173.99 2rp3 n ASP 95 N 4.47 -4.97 0.00 3.58 8.00 -1.26 -0.80 116.55 125.57 2rp3 n ASP 95 Ca -0.13 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.47 2rp3 n ASP 95 Cb 0.42 -4.19 0.00 0.00 -0.02 0.00 0.00 41.12 37.33 2rp3 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rp3 n GLY 96 N -0.87 0.58 3.33 0.44 0.00 -1.21 -4.02 105.19 103.43 2rp3 n GLY 96 Ca -0.20 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 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 2.07 -0.27 2.61 -4.23 0.02 -4.16 115.64 109.67 2rp3 s THR 97 Ca 0.00 -1.30 -0.27 0.00 -1.18 0.00 0.00 61.69 58.94 2rp3 s THR 97 Cb 0.00 -1.76 0.01 0.00 1.34 0.00 0.00 72.50 72.09 2rp3 s THR 97 CO 0.00 0.40 0.95 -0.76 -0.54 0.00 0.00 174.62 174.67 2rp3 s LEU 98 N -1.08 4.04 0.15 4.79 1.43 -1.26 -0.09 118.68 126.67 2rp3 s LEU 98 Ca 0.11 1.06 0.06 0.00 -1.03 0.00 0.00 54.13 54.33 2rp3 s LEU 98 Cb -0.10 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 2rp3 s LEU 98 CO 0.01 -0.69 -0.12 -0.54 0.23 0.00 0.00 176.35 175.24 2rp3 s LYS 99 N 3.21 1.12 -0.14 1.70 3.01 -0.74 -4.55 119.74 123.34 2rp3 s LYS 99 Ca 0.40 -1.42 -0.11 0.00 -1.01 0.00 0.00 55.97 53.83 2rp3 s LYS 99 Cb -0.14 -0.83 -0.05 0.00 -1.01 0.00 0.00 37.83 35.80 2rp3 s LYS 99 CO 0.10 0.13 0.21 -0.47 0.51 0.00 0.00 175.35 175.84 2rp3 s TYR 100 N -2.87 3.51 0.00 3.18 5.04 -1.26 -0.00 117.35 124.95 2rp3 s TYR 100 Ca 0.16 0.54 0.00 0.00 -2.44 0.00 0.00 57.07 55.33 2rp3 s TYR 100 Cb -0.01 -2.17 0.00 0.00 0.35 0.00 0.00 41.96 40.14 2rp3 s TYR 100 CO 0.03 0.44 0.36 0.39 -1.34 0.00 0.00 175.55 175.43