#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 1.48 3.60 -0.72 0.00 -1.19 -4.74 105.19 103.62 2rp3 n GLY 2 Ca 0.00 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 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 12.72 -2.71 -0.02 1.61 4.76 -0.79 -4.27 118.16 129.46 2rp3 n LYS 3 Ca 0.00 0.32 0.12 0.00 -2.87 0.00 0.00 58.31 55.87 2rp3 n LYS 3 Cb 0.00 -4.97 0.54 0.00 -1.84 0.00 0.00 35.03 28.76 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 -0.87 0.32 -0.55 2.13 -0.00 -1.65 -0.32 116.94 116.00 2rp3 h PHE 4 Ca -0.42 0.01 0.16 0.00 -0.00 0.00 0.00 57.97 57.72 2rp3 h PHE 4 Cb 1.28 -0.11 -0.02 0.00 -0.00 0.00 0.00 35.95 37.10 2rp3 h PHE 4 CO 0.71 0.16 0.40 1.03 -0.00 0.00 0.00 178.31 180.61 2rp3 h SER 5 N 0.31 0.00 0.09 -0.68 0.87 -1.84 0.15 113.55 112.45 2rp3 h SER 5 Ca 0.22 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 2rp3 h SER 5 Cb 0.47 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2rp3 h SER 5 CO -0.05 0.00 -0.07 1.56 -0.53 0.00 0.00 176.83 177.74 2rp3 h GLN 6 N 0.00 0.00 -0.02 2.24 4.20 -1.41 -2.88 115.11 117.24 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 1.06 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 28.63 2rp3 h GLN 6 CO -0.00 0.07 -0.79 -2.37 -0.67 0.00 0.00 178.83 175.07 2rp3 n THR 7 N -4.29 1.08 -3.98 -0.54 5.66 0.23 -5.05 114.28 107.40 2rp3 n THR 7 Ca -0.03 -2.12 -0.13 0.00 -3.05 0.00 0.00 64.05 58.72 2rp3 n THR 7 Cb 0.15 0.40 -0.14 0.00 -1.55 0.00 0.00 70.33 69.19 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 -0.12 0.86 -1.28 0.00 1.13 0.80 -4.66 117.35 114.08 2rp3 s TYR 9 Ca 0.00 -1.19 -0.08 0.00 -1.41 0.00 0.00 57.07 54.39 2rp3 s TYR 9 Cb -0.01 -0.41 0.01 0.00 -1.10 0.00 0.00 41.96 40.44 2rp3 s TYR 9 CO -0.00 -0.61 1.00 -1.71 -2.51 0.00 0.00 175.55 171.73 2rp3 n ASN 10 N -0.18 -6.01 -4.79 -0.18 5.15 -1.26 -0.55 115.26 107.45 2rp3 n ASN 10 Ca -0.03 -0.46 -0.36 0.00 -0.60 0.00 0.00 54.58 53.13 2rp3 n ASN 10 Cb 0.64 -4.66 -0.04 0.00 -0.53 0.00 0.00 39.78 35.19 2rp3 n ASN 10 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2rp3 s SER 11 N -3.20 6.73 -0.03 1.20 0.01 -1.26 -3.99 113.70 113.16 2rp3 s SER 11 Ca 0.50 1.99 -0.18 0.00 1.31 0.00 0.00 55.95 59.56 2rp3 s SER 11 Cb -0.22 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.47 2rp3 s SER 11 CO 0.61 -0.51 0.40 0.00 0.41 0.00 0.00 173.24 174.16 2rp3 s ALA 12 N -1.74 -1.02 -0.01 1.44 0.00 0.15 -4.97 121.76 115.61 2rp3 s ALA 12 Ca 0.59 0.62 0.00 0.00 0.00 0.00 0.00 51.96 53.17 2rp3 s ALA 12 Cb -0.20 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 22.92 2rp3 s ALA 12 CO 0.25 -0.28 -0.00 0.42 0.00 0.00 0.00 175.76 176.15 2rp3 s ILE 13 N -1.17 0.06 -0.30 0.00 1.01 -1.26 -0.99 121.20 118.55 2rp3 s ILE 13 Ca -0.12 0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.59 2rp3 s ILE 13 Cb -0.04 -0.10 0.18 0.00 0.01 0.00 0.00 42.46 42.51 2rp3 s ILE 13 CO 0.05 0.05 0.50 -1.58 0.00 0.00 0.00 174.94 173.96 2rp3 s GLN 14 N 0.30 0.52 0.04 2.79 2.00 -1.16 -4.19 119.66 119.97 2rp3 s GLN 14 Ca -0.03 0.22 0.00 0.00 -2.00 0.00 0.00 55.36 53.56 2rp3 s GLN 14 Cb -0.04 -0.06 0.00 0.00 0.80 0.00 0.00 33.01 33.71 2rp3 s GLN 14 CO -0.01 -1.06 0.00 0.41 -0.50 0.00 0.00 175.29 174.13 2rp3 n GLY 15 N 5.25 1.94 0.82 2.59 0.00 -1.25 -3.97 105.19 110.57 2rp3 n GLY 15 Ca 0.04 -0.49 -0.03 0.00 0.00 0.00 0.00 46.02 45.54 2rp3 n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rp3 n SER 16 N 4.14 -0.35 -4.10 1.61 2.88 -1.26 -4.60 113.62 111.93 2rp3 n SER 16 Ca 0.00 -1.62 -0.30 0.00 -1.33 0.00 0.00 58.87 55.61 2rp3 n SER 16 Cb 0.00 0.09 -0.17 0.00 -0.75 0.00 0.00 64.21 63.38 2rp3 n SER 16 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2rp3 s VAL 17 N 0.00 1.72 -0.19 2.46 0.11 -1.25 -0.57 120.40 122.68 2rp3 s VAL 17 Ca 0.03 -0.78 -0.10 0.00 -2.93 0.00 0.00 61.98 58.21 2rp3 s VAL 17 Cb 0.04 -1.54 -0.05 0.00 -1.53 0.00 0.00 36.38 33.29 2rp3 s VAL 17 CO -0.02 0.48 0.15 -0.22 -3.33 0.00 0.00 175.10 172.16 2rp3 s LEU 18 N 0.89 4.24 -0.02 2.54 0.20 -0.72 -2.97 118.68 122.84 2rp3 s LEU 18 Ca -0.07 0.29 0.00 0.00 0.69 0.00 0.00 54.13 55.04 2rp3 s LEU 18 Cb -0.15 -2.11 0.03 0.00 -0.43 0.00 0.00 46.19 43.52 2rp3 s LEU 18 CO -0.01 0.20 0.01 -0.89 -0.29 0.00 0.00 176.35 175.38 2rp3 s THR 19 N 0.18 0.06 -0.17 3.68 2.01 -0.17 -1.11 115.64 120.13 2rp3 s THR 19 Ca 0.10 0.15 -0.26 0.00 0.31 0.00 0.00 61.69 61.98 2rp3 s THR 19 Cb -0.11 -0.17 0.07 0.00 0.01 0.00 0.00 72.50 72.29 2rp3 s THR 19 CO -0.01 0.12 0.67 -0.94 -0.69 0.00 0.00 174.62 173.77 2rp3 s SER 20 N 1.03 -0.68 -0.14 3.53 1.04 -1.17 0.31 113.70 117.62 2rp3 s SER 20 Ca -0.09 1.09 -0.27 0.00 0.48 0.00 0.00 55.95 57.15 2rp3 s SER 20 Cb -0.13 1.04 -0.01 0.00 0.10 0.00 0.00 66.02 67.02 2rp3 s SER 20 CO -0.02 -0.39 0.91 -0.89 0.98 0.00 0.00 173.24 173.83 2rp3 s THR 21 N -0.29 4.83 0.10 2.02 2.01 0.29 -3.74 115.64 120.86 2rp3 s THR 21 Ca -0.05 1.83 0.08 0.00 0.31 0.00 0.00 61.69 63.86 2rp3 s THR 21 Cb -0.03 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 2rp3 s THR 21 CO 0.05 0.01 -0.19 0.00 -0.69 0.00 0.00 174.62 173.79 2rp3 s GLU 23 N -1.91 4.35 0.58 0.00 2.02 -1.18 -1.25 118.70 121.31 2rp3 s GLU 23 Ca 0.05 1.72 -0.18 0.00 0.02 0.00 0.00 54.97 56.58 2rp3 s GLU 23 Cb -0.10 -3.55 -0.04 0.00 0.10 0.00 0.00 34.13 30.54 2rp3 s GLU 23 CO 0.04 -0.46 1.15 1.03 0.02 0.00 0.00 175.26 177.04 2rp3 s ARG 24 N 2.18 3.15 0.24 1.61 0.52 0.19 -3.55 118.95 123.29 2rp3 s ARG 24 Ca 0.57 1.63 0.19 0.00 -0.52 0.00 0.00 55.73 57.60 2rp3 s ARG 24 Cb -0.26 -1.97 0.05 0.00 0.52 0.00 0.00 34.95 33.29 2rp3 s ARG 24 CO 0.23 -1.02 1.23 1.15 0.02 0.00 0.00 175.30 176.91 2rp3 h THR 25 N 0.90 0.41 0.00 0.02 2.02 -1.86 -3.41 112.91 110.99 2rp3 h THR 25 Ca -0.50 -1.65 -0.06 0.00 0.77 0.00 0.00 66.41 64.98 2rp3 h THR 25 Cb 1.27 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 69.71 2rp3 h THR 25 CO 0.56 0.23 -0.88 -3.20 0.37 0.00 0.00 175.52 172.60 2rp3 n ASN 26 N -3.00 0.77 0.00 4.18 2.85 -1.26 -5.07 115.26 113.73 2rp3 n ASN 26 Ca -0.01 0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 2rp3 n ASN 26 Cb 0.68 -0.27 0.00 0.00 1.24 0.00 0.00 39.78 41.43 2rp3 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2rp3 n GLY 27 N 2.81 0.88 0.00 8.20 0.00 -1.26 -5.12 105.19 110.70 2rp3 n GLY 27 Ca -0.08 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 0.84 3.60 -0.02 0.00 -1.26 -4.69 105.19 108.67 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 2.02 3.03 -0.05 1.61 2.02 -1.26 0.58 117.35 125.30 2rp3 s TYR 29 Ca 0.00 0.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.74 2rp3 s TYR 29 Cb 0.00 -1.78 0.02 0.00 -0.40 0.00 0.00 41.96 39.80 2rp3 s TYR 29 CO 0.00 0.32 -0.05 1.21 -1.57 0.00 0.00 175.55 175.46 2rp3 s ASN 30 N -0.65 1.06 -0.47 2.29 2.47 -0.38 -4.88 114.94 114.39 2rp3 s ASN 30 Ca 0.10 -0.15 0.00 0.00 0.42 0.00 0.00 52.86 53.23 2rp3 s ASN 30 Cb -0.12 -0.50 0.12 0.00 -1.45 0.00 0.00 41.25 39.31 2rp3 s ASN 30 CO 0.02 -0.04 0.24 -0.89 -3.72 0.00 0.00 177.10 172.70 2rp3 s THR 31 N 0.90 3.01 0.57 -5.21 2.01 -1.26 -0.91 115.64 114.75 2rp3 s THR 31 Ca -0.11 -2.62 0.07 0.00 0.31 0.00 0.00 61.69 59.34 2rp3 s THR 31 Cb -0.14 -3.07 0.07 0.00 0.01 0.00 0.00 72.50 69.36 2rp3 s THR 31 CO 0.00 -0.74 0.55 -0.44 -0.69 0.00 0.00 174.62 173.30 2rp3 s SER 32 N 0.88 4.73 0.03 3.53 0.01 -1.25 -4.93 113.70 116.72 2rp3 s SER 32 Ca 0.13 -1.18 -0.04 0.00 1.31 0.00 0.00 55.95 56.17 2rp3 s SER 32 Cb -0.22 0.53 -0.02 0.00 0.21 0.00 0.00 66.02 66.53 2rp3 s SER 32 CO -0.04 -1.26 0.06 -0.94 0.41 0.00 0.00 173.24 171.47 2rp3 s SER 33 N -4.44 0.21 -0.04 2.44 1.04 -1.26 -3.02 113.70 108.62 2rp3 s SER 33 Ca 0.42 -0.56 -0.01 0.00 0.48 0.00 0.00 55.95 56.28 2rp3 s SER 33 Cb -0.03 0.20 0.03 0.00 0.10 0.00 0.00 66.02 66.32 2rp3 s SER 33 CO 0.27 -0.47 0.07 -0.51 0.98 0.00 0.00 173.24 173.58 2rp3 s ILE 34 N -2.45 -0.10 -0.13 -1.02 1.10 -0.26 -4.88 121.20 113.46 2rp3 s ILE 34 Ca -0.06 0.31 -0.29 0.00 -0.51 0.00 0.00 60.65 60.09 2rp3 s ILE 34 Cb -0.02 -0.15 -0.03 0.00 0.15 0.00 0.00 42.46 42.41 2rp3 s ILE 34 CO -0.04 0.13 1.37 -0.62 -2.11 0.00 0.00 174.94 173.67 2rp3 s ASP 35 N 1.64 6.87 0.00 4.50 2.15 -1.26 -1.75 116.67 128.81 2rp3 s ASP 35 Ca -0.02 1.85 0.20 0.00 0.43 0.00 0.00 52.55 55.00 2rp3 s ASP 35 Cb -0.12 -2.54 0.97 0.00 -0.30 0.00 0.00 42.92 40.93 2rp3 s ASP 35 CO -0.04 -0.80 1.63 0.18 -0.17 0.00 0.00 175.17 175.97 2rp3 n LEU 36 N 6.72 0.00 0.22 -1.34 4.77 0.26 -2.83 117.00 124.80 2rp3 n LEU 36 Ca 0.15 0.34 0.10 0.00 -0.03 0.00 0.00 56.01 56.57 2rp3 n LEU 36 Cb 0.44 -0.34 0.47 0.00 -2.33 0.00 0.00 43.42 41.66 2rp3 n LEU 36 CO 0.58 -0.11 0.81 -1.13 -1.33 0.00 0.00 177.39 176.20 2rp3 h ASN 37 N 0.00 0.00 -0.06 -1.43 -0.73 -1.85 -0.87 115.58 110.64 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 0.23 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.82 2rp3 h ASN 37 CO 0.00 0.22 0.00 -0.24 -0.37 0.00 0.00 177.43 177.04 2rp3 n SER 38 N -3.39 1.31 -0.10 1.15 2.88 -1.13 -3.44 113.62 110.90 2rp3 n SER 38 Ca 0.00 -1.51 0.00 0.00 -1.33 0.00 0.00 58.87 56.04 2rp3 n SER 38 Cb 0.42 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 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 0.05 0.00 -4.01 2.46 0.24 -0.80 -4.71 118.33 111.55 2rp3 n VAL 39 Ca 0.18 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.33 2rp3 n VAL 39 Cb 0.31 0.76 -0.15 0.00 -1.47 0.00 0.00 33.84 33.29 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 0.23 0.16 1.34 -1.09 0.31 -2.56 121.20 119.59 2rp3 s ILE 40 Ca 0.00 -0.06 0.09 0.00 -2.23 0.00 0.00 60.65 58.45 2rp3 s ILE 40 Cb 0.00 -0.23 -0.04 0.00 -1.58 0.00 0.00 42.46 40.61 2rp3 s ILE 40 CO 0.00 0.09 -0.20 0.00 -1.23 0.00 0.00 174.94 173.60 2rp3 s ALA 41 N 0.28 2.08 -0.28 9.38 0.00 -0.95 -2.17 121.76 130.10 2rp3 s ALA 41 Ca -0.03 -1.48 -0.06 0.00 0.00 0.00 0.00 51.96 50.40 2rp3 s ALA 41 Cb -0.05 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.86 2rp3 s ALA 41 CO -0.01 0.30 0.05 0.00 0.00 0.00 0.00 175.76 176.10 2rp3 s ALA 42 N -1.83 2.98 -0.20 0.00 0.00 -1.26 -2.91 121.76 118.55 2rp3 s ALA 42 Ca 0.15 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 50.65 2rp3 s ALA 42 Cb -0.07 -2.04 0.06 0.00 0.00 0.00 0.00 23.12 21.06 2rp3 s ALA 42 CO 0.07 -0.90 -0.02 0.08 0.00 0.00 0.00 175.76 174.99 2rp3 s VAL 43 N 1.46 1.02 -1.73 0.00 1.01 -0.97 -4.77 120.40 116.41 2rp3 s VAL 43 Ca 0.02 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.19 2rp3 s VAL 43 Cb -0.17 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.85 2rp3 s VAL 43 CO 0.01 -0.09 0.00 0.47 0.00 0.00 0.00 175.10 175.49 2rp3 n ASP 44 N 4.87 -5.37 -0.45 3.32 8.00 -1.26 -1.87 116.55 123.78 2rp3 n ASP 44 Ca -0.11 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.54 2rp3 n ASP 44 Cb 0.46 -4.56 0.00 0.00 -0.02 0.00 0.00 41.12 37.00 2rp3 n ASP 44 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rp3 n GLY 45 N -0.81 0.96 2.74 0.44 0.00 -1.18 -4.50 105.19 102.84 2rp3 n GLY 45 Ca -0.22 -0.62 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.91 1.13 -0.25 1.61 0.15 -0.78 -4.74 113.70 107.90 2rp3 s SER 46 Ca 0.00 0.00 -0.19 0.00 0.70 0.00 0.00 55.95 56.46 2rp3 s SER 46 Cb 0.00 -0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 64.03 2rp3 s SER 46 CO 0.00 -0.20 0.55 -0.76 1.20 0.00 0.00 173.24 174.04 2rp3 s LEU 47 N 1.85 4.07 0.18 3.45 1.43 -1.26 -2.28 118.68 126.11 2rp3 s LEU 47 Ca 0.02 0.61 0.04 0.00 -1.03 0.00 0.00 54.13 53.77 2rp3 s LEU 47 Cb -0.12 -2.74 -0.05 0.00 0.03 0.00 0.00 46.19 43.31 2rp3 s LEU 47 CO -0.04 -0.30 -0.07 -1.59 0.23 0.00 0.00 176.35 174.58 2rp3 s LYS 48 N 2.28 1.17 0.00 1.70 0.00 -1.14 -4.83 119.74 118.92 2rp3 s LYS 48 Ca 0.23 -1.54 0.00 0.00 0.00 0.00 0.00 55.97 54.66 2rp3 s LYS 48 Cb -0.16 -0.66 0.00 0.00 0.00 0.00 0.00 37.83 37.01 2rp3 s LYS 48 CO 0.09 0.03 0.00 0.91 0.00 0.00 0.00 175.35 176.38 2rp3 n TRP 49 N -0.29 -2.68 -4.05 1.78 7.02 -1.26 -2.24 117.44 115.72 2rp3 n TRP 49 Ca -0.08 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.13 2rp3 n TRP 49 Cb 0.62 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.42 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 -0.92 -0.94 -3.98 -0.99 10.64 -1.06 -4.58 117.38 115.55 2rp3 n GLN 50 Ca 0.00 0.08 -0.13 0.00 -1.83 0.00 0.00 57.00 55.12 2rp3 n GLN 50 Cb 0.00 -3.10 -0.01 0.00 -0.86 0.00 0.00 30.24 26.27 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 -4.11 1.11 0.34 2.61 0.00 -1.19 -4.92 107.32 101.15 2rp3 s GLY 51 Ca 0.04 -1.25 -0.11 0.00 0.00 0.00 0.00 44.72 43.39 2rp3 s GLY 51 CO 0.85 -0.74 0.63 -1.35 0.00 0.00 0.00 173.10 172.49 2rp3 s SER 52 N -3.19 0.27 -1.14 1.64 1.04 -0.92 0.11 113.70 111.52 2rp3 s SER 52 Ca 0.25 -1.17 -0.01 0.00 0.48 0.00 0.00 55.95 55.49 2rp3 s SER 52 Cb -0.02 0.74 -0.02 0.00 0.10 0.00 0.00 66.02 66.82 2rp3 s SER 52 CO 0.18 -1.44 0.96 0.59 0.98 0.00 0.00 173.24 174.50 2rp3 n ASN 53 N -1.16 -3.14 -0.08 7.02 5.03 -1.22 -4.21 115.26 117.51 2rp3 n ASN 53 Ca -0.04 -0.63 -0.10 0.00 0.87 0.00 0.00 54.58 54.68 2rp3 n ASN 53 Cb 0.61 -5.05 -0.10 0.00 -1.02 0.00 0.00 39.78 34.22 2rp3 n ASN 53 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 2rp3 n PHE 54 N -3.85 0.00 -0.11 3.10 1.16 -1.24 -4.05 117.46 112.48 2rp3 n PHE 54 Ca -0.23 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.33 2rp3 n PHE 54 Cb 0.65 -0.72 0.22 0.00 -1.61 0.00 0.00 39.48 38.02 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 -0.51 1.97 6.09 -1.87 -0.45 117.51 123.97 2rp3 h ILE 55 Ca -0.41 -0.77 0.13 0.00 -1.37 0.00 0.00 64.86 62.44 2rp3 h ILE 55 Cb 1.78 0.69 -0.02 0.00 0.47 0.00 0.00 36.82 39.74 2rp3 h ILE 55 CO -0.02 0.29 0.36 1.05 -3.07 0.00 0.00 178.15 176.76 2rp3 h GLU 56 N 0.75 0.06 -0.15 2.19 -0.00 -1.99 -0.74 114.58 114.71 2rp3 h GLU 56 Ca 0.17 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.52 2rp3 h GLU 56 Cb 0.27 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.01 2rp3 h GLU 56 CO -0.00 0.04 0.00 0.00 -0.00 0.00 0.00 179.01 179.05 2rp3 n ALA 57 N -2.61 2.49 -2.14 1.06 0.00 -0.74 -5.03 120.51 113.55 2rp3 n ALA 57 Ca 0.09 -2.07 -0.07 0.00 0.00 0.00 0.00 53.44 51.39 2rp3 n ALA 57 Cb 0.53 -0.46 -0.10 0.00 0.00 0.00 0.00 19.45 19.42 2rp3 n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rp3 n ARG 59 N 0.18 0.95 -3.69 0.00 0.00 -0.48 -4.69 116.66 108.93 2rp3 n ARG 59 Ca -0.14 -2.27 -0.25 0.00 -0.00 0.00 0.00 57.85 55.19 2rp3 n ARG 59 Cb 0.61 2.60 0.03 0.00 -0.00 0.00 0.00 32.46 35.70 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 -1.54 -3.03 -4.85 2.89 3.02 -1.26 -1.85 115.26 108.64 2rp3 n ASN 60 Ca -0.06 -0.91 -0.37 0.00 -0.03 0.00 0.00 54.58 53.21 2rp3 n ASN 60 Cb 0.56 -3.78 -0.06 0.00 -0.61 0.00 0.00 39.78 35.89 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 -3.62 5.13 0.38 3.41 -4.23 -1.26 -4.14 115.64 111.31 2rp3 s THR 61 Ca 0.21 0.68 -0.16 0.00 -1.18 0.00 0.00 61.69 61.24 2rp3 s THR 61 Cb -0.07 -3.64 0.05 0.00 1.34 0.00 0.00 72.50 70.18 2rp3 s THR 61 CO 0.83 0.56 0.78 0.00 -0.54 0.00 0.00 174.62 176.25 2rp3 s GLN 62 N -1.15 2.20 -0.13 3.99 -2.07 -0.68 -3.80 119.66 118.03 2rp3 s GLN 62 Ca 0.23 -1.42 -0.13 0.00 -1.82 0.00 0.00 55.36 52.22 2rp3 s GLN 62 Cb -0.16 0.62 -0.05 0.00 -1.09 0.00 0.00 33.01 32.34 2rp3 s GLN 62 CO 0.12 -1.03 0.27 -1.17 -1.32 0.00 0.00 175.29 172.16 2rp3 s LEU 63 N -3.06 4.30 -0.04 2.60 0.20 -1.26 -2.29 118.68 119.13 2rp3 s LEU 63 Ca 0.15 0.55 0.04 0.00 0.69 0.00 0.00 54.13 55.57 2rp3 s LEU 63 Cb -0.05 -2.33 -0.00 0.00 -0.43 0.00 0.00 46.19 43.37 2rp3 s LEU 63 CO 0.11 0.19 -0.17 0.00 -0.29 0.00 0.00 176.35 176.20 2rp3 s ALA 64 N -0.04 1.50 0.00 5.97 0.00 0.05 -4.89 121.76 124.35 2rp3 s ALA 64 Ca 0.17 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2rp3 s ALA 64 Cb -0.13 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.50 2rp3 s ALA 64 CO 0.05 0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.50 2rp3 n GLY 65 N 3.10 0.96 0.00 0.00 0.00 -1.26 -2.23 105.19 105.76 2rp3 n GLY 65 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2rp3 n GLY 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rp3 n SER 66 N 2.49 0.00 -1.37 1.61 3.41 -1.26 -4.98 113.62 113.52 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 1.27 -4.51 4.04 3.41 -1.24 -4.94 113.62 111.65 2rp3 n SER 67 Ca 0.00 -2.48 -0.29 0.00 -0.26 0.00 0.00 58.87 55.84 2rp3 n SER 67 Cb 0.00 -0.36 -0.11 0.00 -0.26 0.00 0.00 64.21 63.48 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 -1.02 1.85 -0.27 4.33 2.02 -0.94 0.11 118.70 124.77 2rp3 s GLU 68 Ca 0.35 -1.17 0.01 0.00 0.02 0.00 0.00 54.97 54.18 2rp3 s GLU 68 Cb 0.38 -2.14 0.06 0.00 0.10 0.00 0.00 34.13 32.53 2rp3 s GLU 68 CO -0.14 0.48 -0.07 -1.17 0.02 0.00 0.00 175.26 174.38 2rp3 s LEU 69 N -2.23 3.58 -0.15 1.80 1.98 0.25 -0.77 118.68 123.14 2rp3 s LEU 69 Ca 0.19 -1.35 -0.09 0.00 -2.89 0.00 0.00 54.13 49.99 2rp3 s LEU 69 Cb -0.10 -1.60 -0.04 0.00 0.66 0.00 0.00 46.19 45.10 2rp3 s LEU 69 CO 0.11 -0.21 0.15 0.00 -1.89 0.00 0.00 176.35 174.51 2rp3 s ALA 70 N 1.15 3.79 0.23 5.97 0.00 -0.97 -2.51 121.76 129.42 2rp3 s ALA 70 Ca -0.08 -0.64 -0.22 0.00 0.00 0.00 0.00 51.96 51.02 2rp3 s ALA 70 Cb -0.20 -2.08 0.05 0.00 0.00 0.00 0.00 23.12 20.89 2rp3 s ALA 70 CO -0.04 0.42 0.85 0.00 0.00 0.00 0.00 175.76 177.00 2rp3 s ALA 71 N -0.46 -1.39 -0.16 0.00 0.00 -0.22 -1.69 121.76 117.84 2rp3 s ALA 71 Ca 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 2rp3 s ALA 71 Cb -0.12 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 2rp3 s ALA 71 CO 0.02 -1.04 -0.11 -1.21 0.00 0.00 0.00 175.76 173.43 2rp3 s GLU 72 N -3.38 3.36 -0.02 0.00 2.02 -0.77 -0.28 118.70 119.62 2rp3 s GLU 72 Ca 0.13 -0.67 0.05 0.00 0.02 0.00 0.00 54.97 54.50 2rp3 s GLU 72 Cb -0.04 -2.75 -0.01 0.00 0.10 0.00 0.00 34.13 31.43 2rp3 s GLU 72 CO 0.05 0.05 -0.18 0.00 0.02 0.00 0.00 175.26 175.20 2rp3 s LYS 74 N -0.27 4.40 0.83 0.00 2.20 -0.76 -1.96 119.74 124.17 2rp3 s LYS 74 Ca 0.03 1.85 -0.11 0.00 -0.36 0.00 0.00 55.97 57.38 2rp3 s LYS 74 Cb -0.09 -3.33 0.12 0.00 -1.51 0.00 0.00 37.83 33.03 2rp3 s LYS 74 CO 0.00 -0.31 1.18 0.95 -0.36 0.00 0.00 175.35 176.81 2rp3 s THR 75 N 1.11 2.07 0.49 3.43 -4.23 0.88 -3.09 115.64 116.29 2rp3 s THR 75 Ca 0.60 -0.10 0.17 0.00 -1.18 0.00 0.00 61.69 61.19 2rp3 s THR 75 Cb -0.31 -2.97 0.32 0.00 1.34 0.00 0.00 72.50 70.88 2rp3 s THR 75 CO 0.29 0.00 2.05 0.00 -0.54 0.00 0.00 174.62 176.42 2rp3 h ALA 76 N -1.12 2.12 0.00 3.99 0.00 -1.89 0.22 119.26 122.59 2rp3 h ALA 76 Ca -0.44 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2rp3 h ALA 76 Cb 1.29 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2rp3 h ALA 76 CO 0.54 -0.21 -0.11 0.00 0.00 0.00 0.00 179.25 179.47 2rp3 h ALA 77 N 1.81 0.97 0.00 0.00 0.00 -1.96 -3.47 119.26 116.62 2rp3 h ALA 77 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2rp3 h ALA 77 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2rp3 h ALA 77 CO -0.02 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.77 2rp3 n GLY 78 N 0.52 1.60 3.20 0.00 0.00 0.78 -5.11 105.19 106.18 2rp3 n GLY 78 Ca 0.02 0.00 -0.29 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 -0.60 2.23 -0.22 1.61 -0.21 -1.25 -4.79 119.66 116.42 2rp3 s GLN 79 Ca 0.00 -0.76 -0.28 0.00 0.02 0.00 0.00 55.36 54.34 2rp3 s GLN 79 Cb 0.00 -1.88 0.00 0.00 1.00 0.00 0.00 33.01 32.14 2rp3 s GLN 79 CO 0.00 0.29 0.99 -0.06 -2.12 0.00 0.00 175.29 174.39 2rp3 s PHE 80 N 0.00 3.35 0.47 0.91 0.08 -1.26 -0.09 117.98 121.44 2rp3 s PHE 80 Ca -0.06 1.40 0.07 0.00 0.12 0.00 0.00 56.93 58.46 2rp3 s PHE 80 Cb -0.13 -3.21 -0.01 0.00 -0.57 0.00 0.00 43.02 39.10 2rp3 s PHE 80 CO 0.04 -0.44 0.33 0.14 -0.10 0.00 0.00 175.22 175.19 2rp3 s VAL 81 N 3.00 2.15 -0.50 -0.44 -7.23 -0.83 -4.87 120.40 111.69 2rp3 s VAL 81 Ca 0.42 -1.50 -0.23 0.00 -1.81 0.00 0.00 61.98 58.86 2rp3 s VAL 81 Cb -0.15 -2.65 0.04 0.00 0.56 0.00 0.00 36.38 34.17 2rp3 s VAL 81 CO 0.07 0.00 0.83 -0.44 -0.31 0.00 0.00 175.10 175.25 2rp3 s SER 82 N -4.13 6.35 -0.09 4.85 0.01 -1.26 -2.89 113.70 116.54 2rp3 s SER 82 Ca 0.40 -0.34 -0.03 0.00 1.31 0.00 0.00 55.95 57.29 2rp3 s SER 82 Cb -0.01 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 2rp3 s SER 82 CO 0.24 -1.05 0.04 0.42 0.41 0.00 0.00 173.24 173.30 2rp3 s THR 83 N 3.47 4.63 0.04 1.44 -4.23 0.61 -4.99 115.64 116.61 2rp3 s THR 83 Ca 0.28 -0.14 -0.00 0.00 -1.18 0.00 0.00 61.69 60.65 2rp3 s THR 83 Cb -0.13 -2.97 -0.03 0.00 1.34 0.00 0.00 72.50 70.70 2rp3 s THR 83 CO 0.20 0.60 -0.03 -1.59 -0.54 0.00 0.00 174.62 173.25 2rp3 s LYS 84 N -0.95 0.49 -0.24 3.99 0.00 -1.26 -1.06 119.74 120.71 2rp3 s LYS 84 Ca 0.14 -0.94 -0.26 0.00 0.00 0.00 0.00 55.97 54.91 2rp3 s LYS 84 Cb -0.12 0.13 0.10 0.00 0.00 0.00 0.00 37.83 37.94 2rp3 s LYS 84 CO 0.03 -0.07 0.86 -1.50 0.00 0.00 0.00 175.35 174.67 2rp3 s ILE 85 N -2.72 0.00 -0.24 3.79 2.07 -1.05 -4.78 121.20 118.27 2rp3 s ILE 85 Ca -0.04 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 58.92 2rp3 s ILE 85 Cb -0.01 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.59 2rp3 s ILE 85 CO -0.05 0.00 1.02 0.21 -1.91 0.00 0.00 174.94 174.20 2rp3 s ASN 86 N 0.02 7.04 0.39 4.50 3.04 -1.26 -0.58 114.94 128.09 2rp3 s ASN 86 Ca -0.00 1.29 0.15 0.00 0.04 0.00 0.00 52.86 54.34 2rp3 s ASN 86 Cb -0.04 -2.53 0.79 0.00 -1.54 0.00 0.00 41.25 37.94 2rp3 s ASN 86 CO -0.01 -0.68 1.83 -0.07 -3.04 0.00 0.00 177.10 175.14 2rp3 h LEU 87 N 9.49 0.00 -0.53 3.21 3.38 0.42 -2.33 115.31 128.95 2rp3 h LEU 87 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2rp3 h LEU 87 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2rp3 h LEU 87 CO 0.97 0.35 0.00 -0.90 0.09 0.00 0.00 178.44 178.95 2rp3 n ASP 88 N -3.93 0.47 0.30 -0.43 5.68 -1.21 -0.99 116.55 116.44 2rp3 n ASP 88 Ca -0.02 0.62 0.18 0.00 -0.50 0.00 0.00 54.79 55.08 2rp3 n ASP 88 Cb 0.41 -0.72 0.97 0.00 -1.14 0.00 0.00 41.12 40.64 2rp3 n ASP 88 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 2rp3 h ASP 89 N 0.00 0.00 0.00 -1.12 1.82 -1.75 -2.11 116.42 113.26 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 0.31 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.32 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 -2.84 -0.57 -1.58 0.28 8.25 -1.13 -4.77 115.22 112.86 2rp3 n HIS 90 Ca -0.02 0.00 -0.51 0.00 -0.26 0.00 0.00 57.72 56.93 2rp3 n HIS 90 Cb 0.16 0.12 -0.06 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 -1.75 0.34 -4.43 1.59 2.08 -0.16 -2.96 119.36 114.08 2rp3 n ILE 91 Ca 0.00 -0.19 -0.30 0.00 0.56 0.00 0.00 62.75 62.82 2rp3 n ILE 91 Cb 0.00 -1.72 -0.06 0.00 -0.75 0.00 0.00 39.64 37.11 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 5.78 4.04 -0.19 -1.39 0.00 0.45 -1.85 121.76 128.61 2rp3 s ALA 92 Ca 1.02 -1.03 -0.00 0.00 0.00 0.00 0.00 51.96 51.95 2rp3 s ALA 92 Cb -0.80 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.11 2rp3 s ALA 92 CO 0.52 -0.16 -0.16 1.21 0.00 0.00 0.00 175.76 177.17 2rp3 s ASN 93 N -3.97 3.46 -0.21 0.00 2.47 -1.26 -2.04 114.94 113.39 2rp3 s ASN 93 Ca 0.21 -0.58 -0.01 0.00 0.42 0.00 0.00 52.86 52.91 2rp3 s ASN 93 Cb 0.02 -1.55 0.02 0.00 -1.45 0.00 0.00 41.25 38.28 2rp3 s ASN 93 CO 0.12 -0.00 -0.13 -0.63 -3.72 0.00 0.00 177.10 172.73 2rp3 s ILE 94 N 1.33 2.55 -0.69 -5.21 -1.09 0.12 -4.64 121.20 113.56 2rp3 s ILE 94 Ca 0.05 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.60 2rp3 s ILE 94 Cb -0.13 -2.16 0.00 0.00 -1.58 0.00 0.00 42.46 38.59 2rp3 s ILE 94 CO -0.10 0.43 0.00 -0.90 -1.23 0.00 0.00 174.94 173.14 2rp3 n ASP 95 N 4.67 -2.42 0.00 3.58 5.68 -1.26 0.85 116.55 127.65 2rp3 n ASP 95 Ca -0.19 0.26 0.00 0.00 -0.50 0.00 0.00 54.79 54.36 2rp3 n ASP 95 Cb 0.49 -2.25 0.00 0.00 -1.14 0.00 0.00 41.12 38.23 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 -0.46 0.76 3.27 6.12 0.00 -1.23 -3.88 105.19 109.76 2rp3 n GLY 96 Ca -0.08 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 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 1.71 0.03 2.61 -4.23 0.25 -4.28 115.64 109.73 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 -1.51 -0.05 0.00 1.34 0.00 0.00 72.50 72.29 2rp3 s THR 97 CO 0.00 0.15 0.83 -0.76 -0.54 0.00 0.00 174.62 174.30 2rp3 s LEU 98 N -1.38 4.42 0.08 4.79 1.43 -1.26 0.14 118.68 126.89 2rp3 s LEU 98 Ca 0.08 1.51 -0.16 0.00 -1.03 0.00 0.00 54.13 54.53 2rp3 s LEU 98 Cb -0.09 -3.34 0.03 0.00 0.03 0.00 0.00 46.19 42.82 2rp3 s LEU 98 CO 0.02 -0.08 0.36 -0.54 0.23 0.00 0.00 176.35 176.35 2rp3 s LYS 99 N 0.35 0.94 -0.09 1.70 1.02 -0.86 -4.71 119.74 118.08 2rp3 s LYS 99 Ca 0.43 -0.57 -0.14 0.00 0.02 0.00 0.00 55.97 55.71 2rp3 s LYS 99 Cb -0.21 0.41 -0.05 0.00 -0.52 0.00 0.00 37.83 37.47 2rp3 s LYS 99 CO 0.24 -0.33 0.36 -0.47 -0.92 0.00 0.00 175.35 174.23 2rp3 s TYR 100 N -3.07 3.59 -2.52 3.18 5.04 -1.26 -0.41 117.35 121.89 2rp3 s TYR 100 Ca -0.01 0.80 0.28 0.00 -2.44 0.00 0.00 57.07 55.69 2rp3 s TYR 100 Cb 0.01 -2.33 1.01 0.00 0.35 0.00 0.00 41.96 41.00 2rp3 s TYR 100 CO -0.07 0.42 1.72 0.39 -1.34 0.00 0.00 175.55 176.68