#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 1.65 3.57 -0.72 0.00 -1.21 -4.70 105.19 103.78 2rp3 n GLY 2 Ca 0.00 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 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 12.14 -1.52 -0.07 1.61 4.01 0.43 -3.91 118.16 130.86 2rp3 n LYS 3 Ca 0.00 0.86 -0.17 0.00 -0.51 0.00 0.00 58.31 58.49 2rp3 n LYS 3 Cb 0.00 -1.95 -0.13 0.00 -0.51 0.00 0.00 35.03 32.43 2rp3 n LYS 3 CO 0.00 0.00 0.00 1.97 -1.11 0.00 0.00 177.40 178.26 2rp3 n PHE 4 N -1.77 0.54 0.18 2.13 -1.74 -1.04 -4.13 117.46 111.62 2rp3 n PHE 4 Ca -0.24 0.13 0.18 0.00 -0.56 0.00 0.00 57.45 56.97 2rp3 n PHE 4 Cb 0.64 -1.08 0.81 0.00 1.52 0.00 0.00 39.48 41.37 2rp3 n PHE 4 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 2rp3 h SER 5 N 0.02 0.00 0.34 5.98 0.87 -1.86 0.24 113.55 119.14 2rp3 h SER 5 Ca -0.49 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.01 2rp3 h SER 5 Cb 2.01 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.96 2rp3 h SER 5 CO 0.01 0.00 -0.29 1.56 -0.53 0.00 0.00 176.83 177.58 2rp3 h GLN 6 N 0.00 0.00 -0.15 2.24 4.20 -1.96 -3.02 115.11 116.42 2rp3 h GLN 6 Ca 0.11 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.66 2rp3 h GLN 6 Cb 0.66 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.22 2rp3 h GLN 6 CO -0.00 0.29 -0.78 -2.37 -0.67 0.00 0.00 178.83 175.30 2rp3 n THR 7 N -4.09 1.47 -3.79 -0.54 5.66 0.58 -5.03 114.28 108.54 2rp3 n THR 7 Ca -0.02 -2.66 -0.13 0.00 -3.05 0.00 0.00 64.05 58.20 2rp3 n THR 7 Cb 0.35 0.17 -0.13 0.00 -1.55 0.00 0.00 70.33 69.17 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 0.50 1.44 -1.17 0.00 1.13 0.70 -4.61 117.35 115.33 2rp3 s TYR 9 Ca -0.03 -0.94 -0.07 0.00 -1.41 0.00 0.00 57.07 54.62 2rp3 s TYR 9 Cb -0.05 -0.82 0.01 0.00 -1.10 0.00 0.00 41.96 40.00 2rp3 s TYR 9 CO -0.02 -0.08 1.02 -1.71 -2.51 0.00 0.00 175.55 172.25 2rp3 n ASN 10 N -0.35 -5.55 -4.79 -0.18 5.15 -1.26 -1.01 115.26 107.26 2rp3 n ASN 10 Ca -0.06 -0.48 -0.35 0.00 -0.60 0.00 0.00 54.58 53.10 2rp3 n ASN 10 Cb 0.63 -4.46 -0.04 0.00 -0.53 0.00 0.00 39.78 35.39 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 -3.35 6.44 -0.02 1.20 1.04 -1.26 -4.06 113.70 113.70 2rp3 s SER 11 Ca 0.47 1.96 -0.18 0.00 0.48 0.00 0.00 55.95 58.68 2rp3 s SER 11 Cb -0.21 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.38 2rp3 s SER 11 CO 0.64 -0.72 0.39 0.00 0.98 0.00 0.00 173.24 174.53 2rp3 s ALA 12 N -1.90 -0.99 -0.01 5.32 0.00 0.10 -4.97 121.76 119.31 2rp3 s ALA 12 Ca 0.65 0.51 0.00 0.00 0.00 0.00 0.00 51.96 53.13 2rp3 s ALA 12 Cb -0.18 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.04 2rp3 s ALA 12 CO 0.22 -0.30 -0.00 0.42 0.00 0.00 0.00 175.76 176.09 2rp3 s ILE 13 N -1.41 0.08 -0.36 0.00 1.01 -1.26 -1.54 121.20 117.72 2rp3 s ILE 13 Ca -0.12 0.01 0.06 0.00 0.00 0.00 0.00 60.65 60.60 2rp3 s ILE 13 Cb -0.04 -0.11 0.18 0.00 0.01 0.00 0.00 42.46 42.50 2rp3 s ILE 13 CO 0.05 0.05 0.54 -1.58 0.00 0.00 0.00 174.94 174.01 2rp3 s GLN 14 N 0.29 0.67 0.00 2.79 2.00 -1.21 -4.30 119.66 119.90 2rp3 s GLN 14 Ca -0.02 -0.11 0.00 0.00 -2.00 0.00 0.00 55.36 53.22 2rp3 s GLN 14 Cb -0.04 -0.06 0.00 0.00 0.80 0.00 0.00 33.01 33.70 2rp3 s GLN 14 CO -0.01 -1.13 0.00 0.41 -0.50 0.00 0.00 175.29 174.06 2rp3 n GLY 15 N 4.77 1.75 1.08 2.59 0.00 -1.25 -4.17 105.19 109.95 2rp3 n GLY 15 Ca 0.08 -0.62 -0.05 0.00 0.00 0.00 0.00 46.02 45.42 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 3.79 -0.70 -4.03 1.61 3.41 -1.26 -4.63 113.62 111.82 2rp3 n SER 16 Ca 0.00 -2.00 -0.28 0.00 -0.26 0.00 0.00 58.87 56.33 2rp3 n SER 16 Cb 0.00 0.21 -0.17 0.00 -0.26 0.00 0.00 64.21 63.99 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 1.39 -0.23 -3.33 0.11 -1.26 -0.69 120.40 116.39 2rp3 s VAL 17 Ca 0.05 -0.57 -0.12 0.00 -2.93 0.00 0.00 61.98 58.41 2rp3 s VAL 17 Cb 0.06 -1.29 -0.05 0.00 -1.53 0.00 0.00 36.38 33.57 2rp3 s VAL 17 CO -0.03 0.42 0.25 -0.22 -3.33 0.00 0.00 175.10 172.19 2rp3 s LEU 18 N 1.10 4.13 -0.05 2.54 1.98 -0.41 -3.32 118.68 124.64 2rp3 s LEU 18 Ca -0.05 0.26 0.01 0.00 -2.89 0.00 0.00 54.13 51.46 2rp3 s LEU 18 Cb -0.14 -2.26 0.02 0.00 0.66 0.00 0.00 46.19 44.47 2rp3 s LEU 18 CO -0.03 0.01 -0.05 -0.89 -1.89 0.00 0.00 176.35 173.51 2rp3 s THR 19 N 1.17 0.58 -0.24 3.68 2.01 -0.59 -0.89 115.64 121.37 2rp3 s THR 19 Ca 0.12 -0.13 -0.20 0.00 0.31 0.00 0.00 61.69 61.80 2rp3 s THR 19 Cb -0.14 -0.62 0.06 0.00 0.01 0.00 0.00 72.50 71.82 2rp3 s THR 19 CO 0.06 0.25 0.62 -0.55 -0.69 0.00 0.00 174.62 174.30 2rp3 s SER 20 N 1.06 -0.69 -0.07 3.53 0.15 -1.18 0.01 113.70 116.51 2rp3 s SER 20 Ca -0.09 1.27 -0.30 0.00 0.70 0.00 0.00 55.95 57.54 2rp3 s SER 20 Cb -0.14 1.25 -0.03 0.00 -1.71 0.00 0.00 66.02 65.39 2rp3 s SER 20 CO -0.01 -0.22 1.27 -0.89 1.20 0.00 0.00 173.24 174.60 2rp3 s THR 21 N 0.65 4.11 0.08 6.45 2.01 -0.18 -4.02 115.64 124.75 2rp3 s THR 21 Ca -0.03 1.43 0.08 0.00 0.31 0.00 0.00 61.69 63.48 2rp3 s THR 21 Cb -0.05 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 2rp3 s THR 21 CO -0.04 -0.03 -0.20 0.00 -0.69 0.00 0.00 174.62 173.66 2rp3 s GLU 23 N -1.66 4.32 0.63 0.00 2.02 -1.21 -1.62 118.70 121.18 2rp3 s GLU 23 Ca 0.06 1.74 -0.16 0.00 0.02 0.00 0.00 54.97 56.62 2rp3 s GLU 23 Cb -0.10 -3.59 -0.01 0.00 0.10 0.00 0.00 34.13 30.53 2rp3 s GLU 23 CO 0.03 -0.51 1.13 1.03 0.02 0.00 0.00 175.26 176.96 2rp3 s ARG 24 N 2.44 2.88 0.07 1.61 0.52 0.20 -3.35 118.95 123.32 2rp3 s ARG 24 Ca 0.58 1.50 0.14 0.00 -0.52 0.00 0.00 55.73 57.43 2rp3 s ARG 24 Cb -0.26 -1.95 -0.14 0.00 0.52 0.00 0.00 34.95 33.12 2rp3 s ARG 24 CO 0.22 -1.21 0.93 1.15 0.02 0.00 0.00 175.30 176.41 2rp3 h THR 25 N 0.33 0.79 0.00 0.02 2.02 -1.85 -3.42 112.91 110.80 2rp3 h THR 25 Ca -0.48 -2.38 -0.11 0.00 0.77 0.00 0.00 66.41 64.21 2rp3 h THR 25 Cb 1.26 2.29 -0.02 0.00 -1.74 0.00 0.00 68.15 69.94 2rp3 h THR 25 CO 0.54 0.45 -1.11 -3.20 0.37 0.00 0.00 175.52 172.57 2rp3 n ASN 26 N -3.04 1.41 0.00 4.18 5.15 -1.26 -5.05 115.26 116.64 2rp3 n ASN 26 Ca -0.09 0.23 0.00 0.00 -0.60 0.00 0.00 54.58 54.12 2rp3 n ASN 26 Cb 0.89 -0.53 0.00 0.00 -0.53 0.00 0.00 39.78 39.61 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 2.19 0.91 0.00 8.20 0.00 -1.26 -5.12 105.19 110.11 2rp3 n GLY 27 Ca -0.18 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 0.64 3.63 -0.02 0.00 -1.26 -4.65 105.19 108.53 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 1.82 3.05 -0.06 1.61 2.02 -1.26 0.59 117.35 125.12 2rp3 s TYR 29 Ca 0.00 0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.81 2rp3 s TYR 29 Cb 0.00 -1.75 0.02 0.00 -0.40 0.00 0.00 41.96 39.84 2rp3 s TYR 29 CO 0.00 0.40 -0.03 1.21 -1.57 0.00 0.00 175.55 175.56 2rp3 s ASN 30 N -0.86 1.29 -0.58 2.29 2.47 -0.64 -4.88 114.94 114.02 2rp3 s ASN 30 Ca 0.13 -0.13 -0.06 0.00 0.42 0.00 0.00 52.86 53.21 2rp3 s ASN 30 Cb -0.11 -0.49 0.15 0.00 -1.45 0.00 0.00 41.25 39.35 2rp3 s ASN 30 CO 0.02 -0.10 0.43 -0.89 -3.72 0.00 0.00 177.10 172.84 2rp3 s THR 31 N 1.33 4.09 0.44 -5.21 2.01 -1.26 -1.54 115.64 115.50 2rp3 s THR 31 Ca -0.04 -2.41 0.05 0.00 0.31 0.00 0.00 61.69 59.60 2rp3 s THR 31 Cb -0.13 -3.66 0.05 0.00 0.01 0.00 0.00 72.50 68.76 2rp3 s THR 31 CO -0.02 -0.84 0.42 -1.54 -0.69 0.00 0.00 174.62 171.95 2rp3 n SER 32 N 4.14 2.15 -3.80 3.53 3.41 -1.26 -4.96 113.62 116.83 2rp3 n SER 32 Ca 0.03 -2.40 -0.13 0.00 -0.26 0.00 0.00 58.87 56.11 2rp3 n SER 32 Cb 0.41 -0.13 -0.09 0.00 -0.26 0.00 0.00 64.21 64.13 2rp3 n SER 32 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2rp3 s SER 33 N -3.64 -0.14 -0.03 4.04 1.04 -1.26 -3.12 113.70 110.59 2rp3 s SER 33 Ca 0.32 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.82 2rp3 s SER 33 Cb -0.03 0.32 0.03 0.00 0.10 0.00 0.00 66.02 66.44 2rp3 s SER 33 CO 0.20 -0.37 0.00 -0.51 0.98 0.00 0.00 173.24 173.55 2rp3 s ILE 34 N -1.11 0.20 -0.24 -1.02 1.10 -0.06 -4.91 121.20 115.16 2rp3 s ILE 34 Ca -0.12 0.09 -0.29 0.00 -0.51 0.00 0.00 60.65 59.82 2rp3 s ILE 34 Cb -0.05 -0.31 -0.01 0.00 0.15 0.00 0.00 42.46 42.24 2rp3 s ILE 34 CO 0.03 0.16 1.35 -0.62 -2.11 0.00 0.00 174.94 173.74 2rp3 s ASP 35 N 1.15 6.72 0.00 4.50 2.15 -1.26 -1.29 116.67 128.64 2rp3 s ASP 35 Ca -0.08 1.46 0.18 0.00 0.43 0.00 0.00 52.55 54.54 2rp3 s ASP 35 Cb -0.13 -2.54 0.91 0.00 -0.30 0.00 0.00 42.92 40.86 2rp3 s ASP 35 CO -0.02 -1.00 1.51 0.18 -0.17 0.00 0.00 175.17 175.68 2rp3 n LEU 36 N 7.39 0.00 0.26 -1.34 4.77 0.13 -2.51 117.00 125.70 2rp3 n LEU 36 Ca 0.15 0.24 0.16 0.00 -0.03 0.00 0.00 56.01 56.53 2rp3 n LEU 36 Cb 0.46 -0.24 0.60 0.00 -2.33 0.00 0.00 43.42 41.91 2rp3 n LEU 36 CO 0.61 -0.10 0.96 -1.13 -1.33 0.00 0.00 177.39 176.40 2rp3 h ASN 37 N 0.00 0.00 -0.05 -1.43 -0.73 -1.85 -0.99 115.58 110.53 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 0.14 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.73 2rp3 h ASN 37 CO 0.00 0.00 0.00 -0.24 -0.37 0.00 0.00 177.43 176.82 2rp3 n SER 38 N -3.03 1.84 -0.09 1.15 2.88 -1.04 -3.52 113.62 111.81 2rp3 n SER 38 Ca 0.01 -1.63 0.00 0.00 -1.33 0.00 0.00 58.87 55.93 2rp3 n SER 38 Cb 0.33 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 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 0.44 0.00 -4.04 2.46 0.24 -0.59 -4.61 118.33 112.22 2rp3 n VAL 39 Ca 0.18 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.32 2rp3 n VAL 39 Cb 0.40 0.87 -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 0.00 0.28 0.14 1.34 -1.09 0.25 -2.29 121.20 119.82 2rp3 s ILE 40 Ca 0.00 -0.08 0.09 0.00 -2.23 0.00 0.00 60.65 58.43 2rp3 s ILE 40 Cb 0.00 -0.28 -0.04 0.00 -1.58 0.00 0.00 42.46 40.56 2rp3 s ILE 40 CO 0.00 0.11 -0.21 0.00 -1.23 0.00 0.00 174.94 173.62 2rp3 s ALA 41 N 0.35 2.01 -0.30 9.38 0.00 -0.81 -1.87 121.76 130.52 2rp3 s ALA 41 Ca -0.03 -1.39 -0.07 0.00 0.00 0.00 0.00 51.96 50.46 2rp3 s ALA 41 Cb -0.07 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.82 2rp3 s ALA 41 CO -0.01 0.34 0.08 0.00 0.00 0.00 0.00 175.76 176.17 2rp3 s ALA 42 N -1.51 3.06 -0.21 0.00 0.00 -1.26 -2.56 121.76 119.27 2rp3 s ALA 42 Ca 0.12 -1.47 -0.01 0.00 0.00 0.00 0.00 51.96 50.60 2rp3 s ALA 42 Cb -0.08 -2.14 0.06 0.00 0.00 0.00 0.00 23.12 20.95 2rp3 s ALA 42 CO 0.06 -0.94 -0.01 0.08 0.00 0.00 0.00 175.76 174.95 2rp3 s VAL 43 N 1.49 1.02 -1.67 0.00 1.01 -0.96 -4.78 120.40 116.52 2rp3 s VAL 43 Ca 0.02 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.12 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 0.02 -0.15 0.00 0.47 0.00 0.00 0.00 175.10 175.44 2rp3 n ASP 44 N 4.86 -5.31 -0.37 3.32 9.92 -1.26 -1.86 116.55 125.85 2rp3 n ASP 44 Ca -0.10 0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 2rp3 n ASP 44 Cb 0.46 -4.49 0.00 0.00 -0.64 0.00 0.00 41.12 36.45 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 -0.85 0.89 2.74 0.44 0.00 -1.17 -4.47 105.19 102.77 2rp3 n GLY 45 Ca -0.22 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.90 1.28 -0.24 1.61 0.01 -0.78 -4.71 113.70 107.97 2rp3 s SER 46 Ca 0.00 -0.02 -0.22 0.00 1.31 0.00 0.00 55.95 57.02 2rp3 s SER 46 Cb 0.00 -0.30 -0.01 0.00 0.21 0.00 0.00 66.02 65.91 2rp3 s SER 46 CO 0.00 -0.20 0.72 -0.76 0.41 0.00 0.00 173.24 173.41 2rp3 s LEU 47 N 1.93 4.09 0.12 2.44 1.43 -1.26 -2.26 118.68 125.16 2rp3 s LEU 47 Ca 0.03 0.88 0.07 0.00 -1.03 0.00 0.00 54.13 54.09 2rp3 s LEU 47 Cb -0.12 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 2rp3 s LEU 47 CO -0.04 -0.42 -0.18 -0.54 0.23 0.00 0.00 176.35 175.41 2rp3 s LYS 48 N 2.54 1.09 0.01 1.70 -0.14 -1.06 -4.88 119.74 119.01 2rp3 s LYS 48 Ca 0.31 -1.20 -0.00 0.00 -1.36 0.00 0.00 55.97 53.71 2rp3 s LYS 48 Cb -0.16 -1.19 0.00 0.00 -1.68 0.00 0.00 37.83 34.80 2rp3 s LYS 48 CO 0.08 0.26 0.01 0.91 -0.76 0.00 0.00 175.35 175.85 2rp3 n TRP 49 N 0.81 -2.73 -3.97 3.18 7.02 -1.26 -1.93 117.44 118.56 2rp3 n TRP 49 Ca -0.17 -0.01 -0.32 0.00 -1.02 0.00 0.00 57.50 55.98 2rp3 n TRP 49 Cb 0.55 -0.01 0.01 0.00 -2.42 0.00 0.00 31.31 29.44 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 -1.67 -0.48 -3.84 -0.99 10.64 -0.97 -4.57 117.38 115.51 2rp3 n GLN 50 Ca 0.00 -0.13 -0.09 0.00 -1.83 0.00 0.00 57.00 54.95 2rp3 n GLN 50 Cb 0.00 -1.33 0.02 0.00 -0.86 0.00 0.00 30.24 28.07 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 -3.99 0.50 0.36 2.61 0.00 -1.19 -4.89 107.32 100.71 2rp3 s GLY 51 Ca 0.33 -0.84 -0.12 0.00 0.00 0.00 0.00 44.72 44.09 2rp3 s GLY 51 CO 0.66 -0.39 0.69 -1.35 0.00 0.00 0.00 173.10 172.71 2rp3 s SER 52 N -3.09 0.23 -1.21 1.64 1.04 -0.78 0.85 113.70 112.38 2rp3 s SER 52 Ca 0.17 -1.19 -0.00 0.00 0.48 0.00 0.00 55.95 55.40 2rp3 s SER 52 Cb -0.05 0.79 -0.00 0.00 0.10 0.00 0.00 66.02 66.86 2rp3 s SER 52 CO 0.12 -1.55 0.96 0.59 0.98 0.00 0.00 173.24 174.35 2rp3 n ASN 53 N -1.31 -2.08 -0.09 7.02 4.13 -1.23 -4.20 115.26 117.49 2rp3 n ASN 53 Ca -0.05 -0.65 -0.11 0.00 1.68 0.00 0.00 54.58 55.45 2rp3 n ASN 53 Cb 0.60 -5.00 -0.11 0.00 -1.54 0.00 0.00 39.78 33.73 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 -4.12 0.00 -0.08 3.10 1.16 -1.24 -4.11 117.46 112.17 2rp3 n PHE 54 Ca -0.28 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.27 2rp3 n PHE 54 Cb 0.67 -0.79 0.21 0.00 -1.61 0.00 0.00 39.48 37.96 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 1.22 -0.57 1.97 6.09 -1.87 0.41 117.51 124.76 2rp3 h ILE 55 Ca -0.44 -0.88 0.14 0.00 -1.37 0.00 0.00 64.86 62.31 2rp3 h ILE 55 Cb 1.85 0.84 -0.03 0.00 0.47 0.00 0.00 36.82 39.95 2rp3 h ILE 55 CO -0.02 0.31 0.40 -0.33 -3.07 0.00 0.00 178.15 175.44 2rp3 h GLU 56 N 0.69 0.13 -0.10 2.19 4.39 -1.98 -1.00 114.58 118.90 2rp3 h GLU 56 Ca 0.14 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.84 2rp3 h GLU 56 Cb 0.37 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2rp3 h GLU 56 CO 0.01 0.09 0.00 0.00 -1.16 0.00 0.00 179.01 177.95 2rp3 n ALA 57 N -2.60 2.43 -2.72 3.43 0.00 -0.71 -5.03 120.51 115.32 2rp3 n ALA 57 Ca 0.10 -2.24 -0.09 0.00 0.00 0.00 0.00 53.44 51.21 2rp3 n ALA 57 Cb 0.55 -0.43 -0.10 0.00 0.00 0.00 0.00 19.45 19.46 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 1.06 0.78 -3.60 0.00 0.00 -0.44 -4.65 116.66 109.82 2rp3 n ARG 59 Ca -0.20 -2.68 -0.26 0.00 -0.00 0.00 0.00 57.85 54.70 2rp3 n ARG 59 Cb 0.57 2.70 0.05 0.00 -0.00 0.00 0.00 32.46 35.78 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 -1.60 -4.91 -4.88 2.89 3.02 -1.26 -1.80 115.26 106.71 2rp3 n ASN 60 Ca -0.01 -0.92 -0.36 0.00 -0.03 0.00 0.00 54.58 53.25 2rp3 n ASN 60 Cb 0.59 -3.86 -0.06 0.00 -0.61 0.00 0.00 39.78 35.84 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 5.44 0.38 3.41 -4.23 -1.26 -4.02 115.64 111.87 2rp3 s THR 61 Ca 0.40 0.21 -0.13 0.00 -1.18 0.00 0.00 61.69 60.99 2rp3 s THR 61 Cb -0.12 -3.46 0.04 0.00 1.34 0.00 0.00 72.50 70.30 2rp3 s THR 61 CO 0.83 0.55 0.73 0.00 -0.54 0.00 0.00 174.62 176.19 2rp3 s GLN 62 N -1.23 2.18 -0.17 3.99 -2.07 -0.60 -3.92 119.66 117.84 2rp3 s GLN 62 Ca 0.19 -1.51 -0.16 0.00 -1.82 0.00 0.00 55.36 52.05 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 0.08 -1.00 0.41 -1.17 -1.32 0.00 0.00 175.29 172.29 2rp3 s LEU 63 N -3.11 4.21 -0.03 2.60 2.96 -1.26 -2.53 118.68 121.52 2rp3 s LEU 63 Ca 0.19 0.62 0.05 0.00 -0.22 0.00 0.00 54.13 54.76 2rp3 s LEU 63 Cb -0.04 -2.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.09 2rp3 s LEU 63 CO 0.13 -0.02 -0.17 0.00 -1.32 0.00 0.00 176.35 174.97 2rp3 s ALA 64 N 0.95 1.46 0.00 5.97 0.00 0.36 -4.87 121.76 125.63 2rp3 s ALA 64 Ca 0.21 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2rp3 s ALA 64 Cb -0.14 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.55 2rp3 s ALA 64 CO 0.08 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.56 2rp3 n GLY 65 N 2.91 1.03 0.00 0.00 0.00 -1.26 -1.83 105.19 106.04 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 1.44 0.00 0.00 0.00 173.32 174.76 2rp3 n SER 66 N 2.38 0.00 -1.41 1.61 7.64 -1.26 -4.96 113.62 117.62 2rp3 n SER 66 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 2rp3 n SER 66 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 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 1.02 -4.40 6.43 3.41 -1.24 -4.94 113.62 113.90 2rp3 n SER 67 Ca 0.00 -2.13 -0.33 0.00 -0.26 0.00 0.00 58.87 56.15 2rp3 n SER 67 Cb 0.00 -0.31 -0.14 0.00 -0.26 0.00 0.00 64.21 63.50 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 -0.22 3.16 -0.44 4.33 2.02 -0.76 0.90 118.70 127.68 2rp3 s GLU 68 Ca 0.33 -0.68 -0.16 0.00 0.02 0.00 0.00 54.97 54.48 2rp3 s GLU 68 Cb 0.38 -2.57 0.04 0.00 0.10 0.00 0.00 34.13 32.07 2rp3 s GLU 68 CO -0.16 0.33 0.41 -1.17 0.02 0.00 0.00 175.26 174.69 2rp3 s LEU 69 N 0.05 5.11 -0.14 1.80 1.98 -0.08 -0.49 118.68 126.91 2rp3 s LEU 69 Ca -0.05 -0.90 -0.10 0.00 -2.89 0.00 0.00 54.13 50.18 2rp3 s LEU 69 Cb -0.14 -2.29 -0.05 0.00 0.66 0.00 0.00 46.19 44.37 2rp3 s LEU 69 CO 0.04 -0.60 0.20 0.00 -1.89 0.00 0.00 176.35 174.11 2rp3 s ALA 70 N 1.96 3.73 0.14 5.97 0.00 -1.05 -2.90 121.76 129.61 2rp3 s ALA 70 Ca 0.09 -0.56 -0.25 0.00 0.00 0.00 0.00 51.96 51.23 2rp3 s ALA 70 Cb -0.19 -2.18 0.07 0.00 0.00 0.00 0.00 23.12 20.81 2rp3 s ALA 70 CO 0.11 0.33 0.84 0.00 0.00 0.00 0.00 175.76 177.04 2rp3 s ALA 71 N -0.22 -1.61 -0.18 0.00 0.00 -0.44 -1.56 121.76 117.76 2rp3 s ALA 71 Ca 0.14 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.38 2rp3 s ALA 71 Cb -0.12 0.66 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 2rp3 s ALA 71 CO 0.03 -0.91 -0.02 -1.21 0.00 0.00 0.00 175.76 173.65 2rp3 s GLU 72 N -3.43 3.66 -0.02 0.00 2.02 -0.74 -0.18 118.70 120.01 2rp3 s GLU 72 Ca 0.08 -0.51 0.05 0.00 0.02 0.00 0.00 54.97 54.61 2rp3 s GLU 72 Cb -0.02 -3.00 -0.01 0.00 0.10 0.00 0.00 34.13 31.20 2rp3 s GLU 72 CO -0.02 0.14 -0.17 0.00 0.02 0.00 0.00 175.26 175.23 2rp3 s LYS 74 N -0.35 4.36 0.89 0.00 2.20 -0.84 -1.60 119.74 124.40 2rp3 s LYS 74 Ca 0.05 1.92 -0.14 0.00 -0.36 0.00 0.00 55.97 57.44 2rp3 s LYS 74 Cb -0.07 -3.35 0.14 0.00 -1.51 0.00 0.00 37.83 33.04 2rp3 s LYS 74 CO -0.00 -0.39 1.25 0.95 -0.36 0.00 0.00 175.35 176.80 2rp3 s THR 75 N 1.32 1.99 0.53 3.43 -4.23 0.12 -3.03 115.64 115.77 2rp3 s THR 75 Ca 0.62 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 61.32 2rp3 s THR 75 Cb -0.33 -2.98 0.30 0.00 1.34 0.00 0.00 72.50 70.83 2rp3 s THR 75 CO 0.29 0.00 2.14 0.00 -0.54 0.00 0.00 174.62 176.51 2rp3 h ALA 76 N -1.38 2.02 0.00 3.99 0.00 -1.89 0.85 119.26 122.85 2rp3 h ALA 76 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2rp3 h ALA 76 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2rp3 h ALA 76 CO 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.67 2rp3 h ALA 77 N 1.95 1.00 -0.00 0.00 0.00 -1.96 -3.47 119.26 116.79 2rp3 h ALA 77 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2rp3 h ALA 77 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 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 1.15 1.78 3.20 0.00 0.00 0.29 -5.11 105.19 106.50 2rp3 n GLY 78 Ca 0.05 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.80 2.56 -0.24 1.61 -0.21 -1.26 -4.79 119.66 116.53 2rp3 s GLN 79 Ca 0.00 -0.80 -0.29 0.00 0.02 0.00 0.00 55.36 54.29 2rp3 s GLN 79 Cb 0.00 -2.05 0.00 0.00 1.00 0.00 0.00 33.01 31.96 2rp3 s GLN 79 CO 0.00 0.24 1.15 -0.06 -2.12 0.00 0.00 175.29 174.50 2rp3 s PHE 80 N 0.17 3.05 0.47 0.91 0.08 -1.26 0.14 117.98 121.54 2rp3 s PHE 80 Ca -0.11 1.18 0.07 0.00 0.12 0.00 0.00 56.93 58.19 2rp3 s PHE 80 Cb -0.15 -3.52 0.00 0.00 -0.57 0.00 0.00 43.02 38.77 2rp3 s PHE 80 CO 0.06 -1.09 0.38 0.14 -0.10 0.00 0.00 175.22 174.60 2rp3 s VAL 81 N 3.56 2.19 -0.43 -0.44 -7.23 -0.63 -4.85 120.40 112.56 2rp3 s VAL 81 Ca 0.49 -1.44 -0.22 0.00 -1.81 0.00 0.00 61.98 59.00 2rp3 s VAL 81 Cb -0.17 -2.63 0.02 0.00 0.56 0.00 0.00 36.38 34.17 2rp3 s VAL 81 CO 0.13 0.00 0.72 -0.94 -0.31 0.00 0.00 175.10 174.70 2rp3 s SER 82 N -4.18 6.39 -0.09 4.85 1.04 -1.26 -2.63 113.70 117.81 2rp3 s SER 82 Ca 0.42 -0.15 -0.03 0.00 0.48 0.00 0.00 55.95 56.67 2rp3 s SER 82 Cb -0.02 -2.36 -0.03 0.00 0.10 0.00 0.00 66.02 63.71 2rp3 s SER 82 CO 0.25 -0.83 0.03 0.42 0.98 0.00 0.00 173.24 174.08 2rp3 s THR 83 N 3.06 4.54 0.04 2.02 -4.23 0.75 -4.99 115.64 116.84 2rp3 s THR 83 Ca 0.27 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 2rp3 s THR 83 Cb -0.13 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 70.76 2rp3 s THR 83 CO 0.20 0.60 -0.04 -1.59 -0.54 0.00 0.00 174.62 173.25 2rp3 s LYS 84 N -0.93 0.45 -0.28 3.99 0.00 -1.26 -1.32 119.74 120.39 2rp3 s LYS 84 Ca 0.14 -0.79 -0.23 0.00 0.00 0.00 0.00 55.97 55.08 2rp3 s LYS 84 Cb -0.11 0.01 0.10 0.00 0.00 0.00 0.00 37.83 37.82 2rp3 s LYS 84 CO 0.03 -0.03 0.85 -1.50 0.00 0.00 0.00 175.35 174.70 2rp3 s ILE 85 N -1.98 0.00 -0.25 3.79 2.07 -1.14 -4.79 121.20 118.89 2rp3 s ILE 85 Ca -0.09 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 58.86 2rp3 s ILE 85 Cb -0.06 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.54 2rp3 s ILE 85 CO -0.02 0.00 1.11 0.21 -1.91 0.00 0.00 174.94 174.32 2rp3 s ASN 86 N 0.53 6.99 0.29 4.50 3.04 -1.26 -0.90 114.94 128.13 2rp3 s ASN 86 Ca -0.01 1.31 0.09 0.00 0.04 0.00 0.00 52.86 54.29 2rp3 s ASN 86 Cb -0.05 -2.54 0.44 0.00 -1.54 0.00 0.00 41.25 37.56 2rp3 s ASN 86 CO -0.05 -0.78 1.67 -0.07 -3.04 0.00 0.00 177.10 174.83 2rp3 h LEU 87 N 9.80 0.12 -0.08 3.21 3.38 0.16 -2.53 115.31 129.37 2rp3 h LEU 87 Ca -0.21 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2rp3 h LEU 87 Cb 1.07 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2rp3 h LEU 87 CO 1.00 0.61 0.00 -0.90 0.09 0.00 0.00 178.44 179.24 2rp3 n ASP 88 N -3.94 0.05 -0.23 -0.43 5.68 -1.22 -0.87 116.55 115.60 2rp3 n ASP 88 Ca -0.02 0.52 -0.06 0.00 -0.50 0.00 0.00 54.79 54.73 2rp3 n ASP 88 Cb 0.53 -0.53 0.04 0.00 -1.14 0.00 0.00 41.12 40.03 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 0.79 0.00 -1.12 1.82 -1.77 0.12 116.42 116.26 2rp3 h ASP 89 Ca 0.00 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 2rp3 h ASP 89 Cb 0.13 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 39.94 2rp3 h ASP 89 CO 0.00 0.65 -0.50 1.41 -1.61 0.00 0.00 179.24 179.19 2rp3 n HIS 90 N -4.55 0.00 -1.75 0.28 8.25 -1.11 -4.31 115.22 112.02 2rp3 n HIS 90 Ca 0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.08 2rp3 n HIS 90 Cb 0.08 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 2rp3 n HIS 90 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2rp3 s ILE 91 N -1.50 3.02 0.46 1.59 -1.09 -0.05 -1.99 121.20 121.64 2rp3 s ILE 91 Ca 0.00 0.17 0.03 0.00 -2.23 0.00 0.00 60.65 58.62 2rp3 s ILE 91 Cb 0.00 -3.11 -0.03 0.00 -1.58 0.00 0.00 42.46 37.74 2rp3 s ILE 91 CO 0.00 -0.01 0.04 0.00 -1.23 0.00 0.00 174.94 173.73 2rp3 s ALA 92 N 3.93 3.58 -0.23 9.38 0.00 -0.73 -2.31 121.76 135.38 2rp3 s ALA 92 Ca 0.84 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 51.79 2rp3 s ALA 92 Cb -0.42 0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.97 2rp3 s ALA 92 CO 0.38 -0.13 -0.07 1.21 0.00 0.00 0.00 175.76 177.15 2rp3 s ASN 93 N -3.76 4.15 -0.29 0.00 2.47 -1.26 -2.13 114.94 114.11 2rp3 s ASN 93 Ca 0.16 -0.70 -0.01 0.00 0.42 0.00 0.00 52.86 52.73 2rp3 s ASN 93 Cb 0.04 -1.66 0.05 0.00 -1.45 0.00 0.00 41.25 38.22 2rp3 s ASN 93 CO 0.09 -0.08 -0.02 -0.63 -3.72 0.00 0.00 177.10 172.74 2rp3 s ILE 94 N 1.37 2.92 -1.34 -5.21 -1.09 0.97 -4.62 121.20 114.19 2rp3 s ILE 94 Ca 0.02 -1.34 -0.00 0.00 -2.23 0.00 0.00 60.65 57.10 2rp3 s ILE 94 Cb -0.15 -2.65 0.00 0.00 -1.58 0.00 0.00 42.46 38.08 2rp3 s ILE 94 CO -0.05 -0.05 0.03 0.47 -1.23 0.00 0.00 174.94 174.11 2rp3 n ASP 95 N 4.62 -4.69 0.00 3.58 9.92 -1.26 -0.35 116.55 128.37 2rp3 n ASP 95 Ca -0.14 0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 2rp3 n ASP 95 Cb 0.44 -3.94 0.00 0.00 -0.64 0.00 0.00 41.12 36.98 2rp3 n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2rp3 n GLY 96 N -0.91 0.51 3.39 0.44 0.00 -1.21 -4.00 105.19 103.40 2rp3 n GLY 96 Ca -0.18 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 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 2.31 -0.19 2.61 -4.23 0.53 -4.26 115.64 110.41 2rp3 s THR 97 Ca 0.00 -1.60 -0.21 0.00 -1.18 0.00 0.00 61.69 58.69 2rp3 s THR 97 Cb 0.00 -1.99 -0.02 0.00 1.34 0.00 0.00 72.50 71.82 2rp3 s THR 97 CO 0.00 0.18 0.65 -0.76 -0.54 0.00 0.00 174.62 174.15 2rp3 s LEU 98 N -1.81 4.16 0.30 4.79 1.43 -1.26 -0.02 118.68 126.27 2rp3 s LEU 98 Ca 0.14 0.89 0.03 0.00 -1.03 0.00 0.00 54.13 54.16 2rp3 s LEU 98 Cb -0.10 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 2rp3 s LEU 98 CO 0.05 -0.27 0.16 -0.54 0.23 0.00 0.00 176.35 175.98 2rp3 s LYS 99 N 1.85 1.59 -0.11 1.70 -0.14 -0.91 -4.66 119.74 119.07 2rp3 s LYS 99 Ca 0.30 -1.91 0.01 0.00 -1.36 0.00 0.00 55.97 53.01 2rp3 s LYS 99 Cb -0.16 -0.06 -0.02 0.00 -1.68 0.00 0.00 37.83 35.91 2rp3 s LYS 99 CO 0.11 -0.46 -0.12 -0.47 -0.76 0.00 0.00 175.35 173.65 2rp3 s TYR 100 N -3.62 2.81 -1.73 3.18 5.04 -1.26 -1.77 117.35 120.00 2rp3 s TYR 100 Ca 0.36 -0.43 0.14 0.00 -2.44 0.00 0.00 57.07 54.70 2rp3 s TYR 100 Cb 0.05 -1.78 0.11 0.00 0.35 0.00 0.00 41.96 40.68 2rp3 s TYR 100 CO 0.18 -0.05 0.94 0.39 -1.34 0.00 0.00 175.55 175.67