#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 1.22 4.45 -0.72 0.00 -1.20 -4.81 105.19 104.14 2rp3 n GLY 2 Ca 0.00 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 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 12.59 -1.07 -0.02 1.61 4.76 0.34 -4.17 118.16 132.20 2rp3 n LYS 3 Ca 0.00 0.16 0.04 0.00 -2.87 0.00 0.00 58.31 55.64 2rp3 n LYS 3 Cb 0.00 -4.51 0.42 0.00 -1.84 0.00 0.00 35.03 29.10 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 -1.15 0.54 -0.18 2.13 -0.00 -1.62 -1.21 116.94 115.44 2rp3 h PHE 4 Ca -0.61 0.01 0.05 0.00 -0.00 0.00 0.00 57.97 57.42 2rp3 h PHE 4 Cb 1.39 -0.18 -0.01 0.00 -0.00 0.00 0.00 35.95 37.15 2rp3 h PHE 4 CO 0.66 0.34 0.40 1.03 -0.00 0.00 0.00 178.31 180.73 2rp3 h SER 5 N 0.58 0.00 0.19 -0.68 0.87 -1.84 0.28 113.55 112.95 2rp3 h SER 5 Ca 0.16 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.65 2rp3 h SER 5 Cb -0.04 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2rp3 h SER 5 CO -0.04 0.00 -0.28 1.56 -0.53 0.00 0.00 176.83 177.54 2rp3 h GLN 6 N 0.00 0.15 -0.00 2.24 4.20 -1.58 -3.15 115.11 116.97 2rp3 h GLN 6 Ca 0.09 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 2rp3 h GLN 6 Cb 0.88 -0.01 -0.21 0.00 0.30 0.00 0.00 27.48 28.44 2rp3 h GLN 6 CO -0.00 0.42 -0.78 -2.37 -0.67 0.00 0.00 178.83 175.43 2rp3 n THR 7 N -4.16 1.06 -4.10 -0.54 5.66 0.70 -5.04 114.28 107.86 2rp3 n THR 7 Ca -0.01 -2.08 -0.15 0.00 -3.05 0.00 0.00 64.05 58.75 2rp3 n THR 7 Cb 0.36 0.41 -0.15 0.00 -1.55 0.00 0.00 70.33 69.40 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 -0.00 0.88 -1.30 0.00 1.13 0.53 -4.61 117.35 113.98 2rp3 s TYR 9 Ca 0.01 -1.21 -0.05 0.00 -1.41 0.00 0.00 57.07 54.40 2rp3 s TYR 9 Cb -0.03 -0.44 0.01 0.00 -1.10 0.00 0.00 41.96 40.40 2rp3 s TYR 9 CO -0.00 -0.59 1.08 -1.71 -2.51 0.00 0.00 175.55 171.82 2rp3 n ASN 10 N -0.16 -4.36 -4.80 -0.18 5.15 -1.26 -0.72 115.26 108.92 2rp3 n ASN 10 Ca -0.03 -0.60 -0.35 0.00 -0.60 0.00 0.00 54.58 53.00 2rp3 n ASN 10 Cb 0.64 -4.96 -0.06 0.00 -0.53 0.00 0.00 39.78 34.87 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 -3.78 6.92 -0.03 1.20 1.04 -1.26 -3.96 113.70 113.84 2rp3 s SER 11 Ca 0.34 1.83 -0.16 0.00 0.48 0.00 0.00 55.95 58.44 2rp3 s SER 11 Cb -0.15 -2.56 0.03 0.00 0.10 0.00 0.00 66.02 63.44 2rp3 s SER 11 CO 0.74 -0.37 0.36 0.00 0.98 0.00 0.00 173.24 174.95 2rp3 s ALA 12 N -1.90 -0.92 -0.01 5.32 0.00 0.21 -4.95 121.76 119.52 2rp3 s ALA 12 Ca 0.59 0.53 0.01 0.00 0.00 0.00 0.00 51.96 53.08 2rp3 s ALA 12 Cb -0.15 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 22.96 2rp3 s ALA 12 CO 0.20 -0.26 -0.01 0.42 0.00 0.00 0.00 175.76 176.10 2rp3 s ILE 13 N -1.13 0.15 -0.42 0.00 1.01 -1.26 -0.40 121.20 119.15 2rp3 s ILE 13 Ca -0.12 -0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.57 2rp3 s ILE 13 Cb -0.04 -0.17 0.18 0.00 0.01 0.00 0.00 42.46 42.43 2rp3 s ILE 13 CO 0.04 0.07 0.58 -1.58 0.00 0.00 0.00 174.94 174.06 2rp3 s GLN 14 N 0.27 0.84 0.00 2.79 2.00 -1.19 -4.21 119.66 120.16 2rp3 s GLN 14 Ca -0.02 -0.66 0.00 0.00 -2.00 0.00 0.00 55.36 52.68 2rp3 s GLN 14 Cb -0.05 -0.19 0.00 0.00 0.80 0.00 0.00 33.01 33.57 2rp3 s GLN 14 CO -0.01 -1.23 0.00 0.41 -0.50 0.00 0.00 175.29 173.96 2rp3 n GLY 15 N 3.99 2.06 0.72 2.59 0.00 -1.26 -4.36 105.19 108.93 2rp3 n GLY 15 Ca 0.13 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.44 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 2.32 -0.52 -3.96 1.61 3.41 -1.26 -4.69 113.62 110.53 2rp3 n SER 16 Ca 0.00 -1.21 -0.27 0.00 -0.26 0.00 0.00 58.87 57.13 2rp3 n SER 16 Cb 0.00 0.16 -0.17 0.00 -0.26 0.00 0.00 64.21 63.94 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 1.17 -0.07 -3.33 1.01 -1.26 0.59 120.40 118.51 2rp3 s VAL 17 Ca 0.00 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 2rp3 s VAL 17 Cb 0.00 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 2rp3 s VAL 17 CO 0.00 0.39 0.39 -0.22 0.00 0.00 0.00 175.10 175.66 2rp3 s LEU 18 N 1.40 4.37 -0.04 3.92 2.96 -0.26 -3.18 118.68 127.86 2rp3 s LEU 18 Ca 0.00 0.81 -0.01 0.00 -0.22 0.00 0.00 54.13 54.72 2rp3 s LEU 18 Cb -0.13 -2.55 0.03 0.00 0.50 0.00 0.00 46.19 44.03 2rp3 s LEU 18 CO -0.06 0.20 0.02 -0.89 -1.32 0.00 0.00 176.35 174.31 2rp3 s THR 19 N -0.32 0.09 -0.16 3.68 2.01 0.47 -1.14 115.64 120.27 2rp3 s THR 19 Ca 0.22 0.23 -0.21 0.00 0.31 0.00 0.00 61.69 62.24 2rp3 s THR 19 Cb -0.15 -0.26 0.05 0.00 0.01 0.00 0.00 72.50 72.15 2rp3 s THR 19 CO 0.10 0.17 0.56 -0.94 -0.69 0.00 0.00 174.62 173.82 2rp3 s SER 20 N 1.62 -0.56 -0.16 3.53 1.04 -1.14 0.64 113.70 118.67 2rp3 s SER 20 Ca -0.02 0.95 -0.26 0.00 0.48 0.00 0.00 55.95 57.10 2rp3 s SER 20 Cb -0.13 0.95 -0.01 0.00 0.10 0.00 0.00 66.02 66.93 2rp3 s SER 20 CO -0.03 -0.30 0.86 -0.89 0.98 0.00 0.00 173.24 173.87 2rp3 s THR 21 N -0.15 4.86 0.17 2.02 2.01 0.10 -3.72 115.64 120.93 2rp3 s THR 21 Ca -0.03 1.70 0.09 0.00 0.31 0.00 0.00 61.69 63.76 2rp3 s THR 21 Cb -0.03 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 2rp3 s THR 21 CO 0.03 0.01 -0.20 0.00 -0.69 0.00 0.00 174.62 173.77 2rp3 s GLU 23 N -2.73 4.22 0.84 0.00 2.02 -1.08 -1.33 118.70 120.65 2rp3 s GLU 23 Ca 0.17 1.76 -0.11 0.00 0.02 0.00 0.00 54.97 56.82 2rp3 s GLU 23 Cb -0.07 -3.81 0.10 0.00 0.10 0.00 0.00 34.13 30.46 2rp3 s GLU 23 CO 0.07 -0.73 1.11 1.03 0.02 0.00 0.00 175.26 176.76 2rp3 s ARG 24 N 3.60 1.68 -0.10 1.61 0.52 0.19 -3.37 118.95 123.09 2rp3 s ARG 24 Ca 0.58 1.23 0.17 0.00 -0.52 0.00 0.00 55.73 57.20 2rp3 s ARG 24 Cb -0.24 -1.83 -0.24 0.00 0.52 0.00 0.00 34.95 33.17 2rp3 s ARG 24 CO 0.17 -2.07 0.39 2.41 0.02 0.00 0.00 175.30 176.22 2rp3 n THR 25 N -3.82 1.22 -0.07 0.02 -1.04 -1.26 -4.66 114.28 104.67 2rp3 n THR 25 Ca 0.09 -0.77 -0.09 0.00 -2.04 0.00 0.00 64.05 61.25 2rp3 n THR 25 Cb 0.53 -0.57 -0.03 0.00 -1.82 0.00 0.00 70.33 68.44 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 -2.77 1.74 -0.29 8.00 2.85 -1.26 -5.04 115.26 118.49 2rp3 n ASN 26 Ca -0.22 0.29 0.00 0.00 -0.11 0.00 0.00 54.58 54.54 2rp3 n ASN 26 Cb 1.00 -0.65 0.00 0.00 1.24 0.00 0.00 39.78 41.37 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 1.87 0.99 0.00 8.20 0.00 -1.26 -5.11 105.19 109.87 2rp3 n GLY 27 Ca -0.14 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 0.12 3.48 -0.02 0.00 -1.26 -4.62 105.19 107.89 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 0.88 2.72 -0.06 1.61 2.02 -1.26 0.57 117.35 123.83 2rp3 s TYR 29 Ca 0.00 -0.17 0.03 0.00 -0.37 0.00 0.00 57.07 56.56 2rp3 s TYR 29 Cb 0.00 -1.64 0.01 0.00 -0.40 0.00 0.00 41.96 39.93 2rp3 s TYR 29 CO 0.00 0.18 -0.14 1.21 -1.57 0.00 0.00 175.55 175.23 2rp3 s ASN 30 N -0.69 1.89 -0.62 2.29 2.47 -0.44 -4.87 114.94 114.97 2rp3 s ASN 30 Ca 0.11 -0.32 -0.04 0.00 0.42 0.00 0.00 52.86 53.03 2rp3 s ASN 30 Cb -0.11 -0.76 0.16 0.00 -1.45 0.00 0.00 41.25 39.09 2rp3 s ASN 30 CO 0.01 0.07 0.45 -0.89 -3.72 0.00 0.00 177.10 173.02 2rp3 s THR 31 N 0.46 3.88 0.58 -5.21 2.01 -1.26 -1.07 115.64 115.02 2rp3 s THR 31 Ca -0.11 -2.78 0.07 0.00 0.31 0.00 0.00 61.69 59.17 2rp3 s THR 31 Cb -0.14 -3.53 0.07 0.00 0.01 0.00 0.00 72.50 68.91 2rp3 s THR 31 CO 0.03 -0.87 0.60 -1.20 -0.69 0.00 0.00 174.62 172.49 2rp3 n SER 32 N 3.69 2.52 -3.74 3.53 7.64 -1.24 -4.95 113.62 121.07 2rp3 n SER 32 Ca 0.07 -2.78 -0.14 0.00 1.01 0.00 0.00 58.87 57.03 2rp3 n SER 32 Cb 0.39 -0.22 -0.09 0.00 -1.01 0.00 0.00 64.21 63.28 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 -4.48 -0.27 -0.02 6.43 1.04 -1.26 -2.88 113.70 112.26 2rp3 s SER 33 Ca 0.46 0.29 0.02 0.00 0.48 0.00 0.00 55.95 57.20 2rp3 s SER 33 Cb -0.04 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.53 2rp3 s SER 33 CO 0.29 -0.38 -0.06 -0.51 0.98 0.00 0.00 173.24 173.56 2rp3 s ILE 34 N -0.93 0.56 -0.24 -1.02 -1.16 -0.29 -4.94 121.20 113.18 2rp3 s ILE 34 Ca -0.10 -0.23 -0.29 0.00 -0.51 0.00 0.00 60.65 59.52 2rp3 s ILE 34 Cb -0.04 -0.52 -0.01 0.00 0.61 0.00 0.00 42.46 42.50 2rp3 s ILE 34 CO 0.04 0.19 1.35 -1.81 -2.81 0.00 0.00 174.94 171.89 2rp3 s ASP 35 N 0.29 6.71 0.04 4.50 1.11 -1.26 -1.10 116.67 126.95 2rp3 s ASP 35 Ca -0.04 1.44 0.18 0.00 0.18 0.00 0.00 52.55 54.31 2rp3 s ASP 35 Cb -0.08 -2.54 0.74 0.00 1.07 0.00 0.00 42.92 42.12 2rp3 s ASP 35 CO 0.00 -1.01 1.56 0.18 1.18 0.00 0.00 175.17 177.08 2rp3 n LEU 36 N 7.43 0.10 0.24 1.23 4.77 0.20 -2.38 117.00 128.59 2rp3 n LEU 36 Ca 0.15 0.52 0.12 0.00 -0.03 0.00 0.00 56.01 56.78 2rp3 n LEU 36 Cb 0.46 -0.51 0.57 0.00 -2.33 0.00 0.00 43.42 41.61 2rp3 n LEU 36 CO 0.61 -0.26 0.88 -1.13 -1.33 0.00 0.00 177.39 176.17 2rp3 h ASN 37 N 0.00 0.00 -0.02 -1.43 -0.73 -1.84 -0.66 115.58 110.89 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 0.30 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.89 2rp3 h ASN 37 CO 0.00 0.15 0.00 -1.20 -0.37 0.00 0.00 177.43 176.01 2rp3 n SER 38 N -3.35 1.16 -0.11 1.15 7.64 -1.00 -3.57 113.62 115.53 2rp3 n SER 38 Ca -0.00 -1.40 0.00 0.00 1.01 0.00 0.00 58.87 58.47 2rp3 n SER 38 Cb 0.36 -0.01 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 -0.09 0.00 -4.16 0.44 0.24 -0.63 -4.58 118.33 109.55 2rp3 n VAL 39 Ca 0.20 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.32 2rp3 n VAL 39 Cb 0.29 0.73 -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 0.46 0.13 1.34 -1.09 0.11 -2.26 121.20 119.90 2rp3 s ILE 40 Ca 0.00 -0.16 0.09 0.00 -2.23 0.00 0.00 60.65 58.35 2rp3 s ILE 40 Cb 0.00 -0.45 -0.04 0.00 -1.58 0.00 0.00 42.46 40.39 2rp3 s ILE 40 CO 0.00 0.17 -0.22 0.00 -1.23 0.00 0.00 174.94 173.67 2rp3 s ALA 41 N 0.44 2.05 -0.33 9.38 0.00 -0.50 -2.53 121.76 130.26 2rp3 s ALA 41 Ca -0.05 -1.40 -0.09 0.00 0.00 0.00 0.00 51.96 50.42 2rp3 s ALA 41 Cb -0.09 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.78 2rp3 s ALA 41 CO -0.00 0.37 0.14 0.00 0.00 0.00 0.00 175.76 176.27 2rp3 s ALA 42 N -1.43 3.19 -0.27 0.00 0.00 -1.25 -2.02 121.76 119.98 2rp3 s ALA 42 Ca 0.12 -1.55 0.01 0.00 0.00 0.00 0.00 51.96 50.53 2rp3 s ALA 42 Cb -0.09 -2.37 0.08 0.00 0.00 0.00 0.00 23.12 20.74 2rp3 s ALA 42 CO 0.06 -1.11 0.00 0.08 0.00 0.00 0.00 175.76 174.79 2rp3 s VAL 43 N 1.54 1.51 -1.41 0.00 1.01 -0.82 -4.78 120.40 117.45 2rp3 s VAL 43 Ca 0.02 -1.47 -0.09 0.00 0.00 0.00 0.00 61.98 60.45 2rp3 s VAL 43 Cb -0.18 -1.93 0.05 0.00 0.00 0.00 0.00 36.38 34.33 2rp3 s VAL 43 CO 0.05 -0.33 0.61 -0.90 0.00 0.00 0.00 175.10 174.53 2rp3 n ASP 44 N 4.63 -4.66 -0.73 3.32 5.68 -1.26 -1.87 116.55 121.67 2rp3 n ASP 44 Ca -0.07 -0.42 -0.01 0.00 -0.50 0.00 0.00 54.79 53.80 2rp3 n ASP 44 Cb 0.43 -3.80 0.00 0.00 -1.14 0.00 0.00 41.12 36.62 2rp3 n ASP 44 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rp3 n GLY 45 N -1.37 0.79 2.87 6.12 0.00 -1.16 -4.46 105.19 107.98 2rp3 n GLY 45 Ca -0.04 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.02 0.67 -0.28 1.61 0.01 -0.78 -4.70 113.70 107.20 2rp3 s SER 46 Ca 0.02 0.39 -0.27 0.00 1.31 0.00 0.00 55.95 57.40 2rp3 s SER 46 Cb -0.01 0.36 0.01 0.00 0.21 0.00 0.00 66.02 66.59 2rp3 s SER 46 CO 0.03 -0.24 0.94 -0.76 0.41 0.00 0.00 173.24 173.62 2rp3 s LEU 47 N 2.32 4.04 0.06 2.44 1.43 -1.26 -1.95 118.68 125.77 2rp3 s LEU 47 Ca 0.03 1.02 0.09 0.00 -1.03 0.00 0.00 54.13 54.24 2rp3 s LEU 47 Cb -0.12 -3.35 -0.03 0.00 0.03 0.00 0.00 46.19 42.72 2rp3 s LEU 47 CO -0.06 -0.69 -0.25 -0.54 0.23 0.00 0.00 176.35 175.03 2rp3 s LYS 48 N 3.21 1.75 0.16 1.70 -0.14 -0.86 -4.88 119.74 120.69 2rp3 s LYS 48 Ca 0.40 -1.15 -0.03 0.00 -1.36 0.00 0.00 55.97 53.83 2rp3 s LYS 48 Cb -0.14 -1.99 0.04 0.00 -1.68 0.00 0.00 37.83 34.06 2rp3 s LYS 48 CO 0.11 0.50 0.15 0.91 -0.76 0.00 0.00 175.35 176.26 2rp3 n TRP 49 N 1.55 -3.16 -3.80 3.18 7.02 -1.26 -1.42 117.44 119.56 2rp3 n TRP 49 Ca -0.17 -0.13 -0.29 0.00 -1.02 0.00 0.00 57.50 55.89 2rp3 n TRP 49 Cb 0.52 -0.15 0.01 0.00 -2.42 0.00 0.00 31.31 29.27 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 -1.92 -0.71 -1.99 -0.99 10.64 -0.96 -4.62 117.38 116.84 2rp3 n GLN 50 Ca 0.02 0.17 -0.01 0.00 -1.83 0.00 0.00 57.00 55.35 2rp3 n GLN 50 Cb 0.08 -1.61 0.01 0.00 -0.86 0.00 0.00 30.24 27.85 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 -1.64 1.19 3.80 2.61 0.00 -1.22 -4.92 105.19 105.02 2rp3 n GLY 51 Ca -0.15 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.59 0.02 -0.98 1.61 1.04 -1.05 -0.72 113.70 112.04 2rp3 s SER 52 Ca 0.05 -1.16 -0.02 0.00 0.48 0.00 0.00 55.95 55.31 2rp3 s SER 52 Cb -0.01 0.85 -0.02 0.00 0.10 0.00 0.00 66.02 66.94 2rp3 s SER 52 CO 0.02 -1.69 0.83 0.59 0.98 0.00 0.00 173.24 173.96 2rp3 n ASN 53 N -1.42 -3.58 -0.06 7.02 4.13 -1.23 -4.23 115.26 115.88 2rp3 n ASN 53 Ca -0.08 -0.56 -0.08 0.00 1.68 0.00 0.00 54.58 55.53 2rp3 n ASN 53 Cb 0.60 -4.49 -0.07 0.00 -1.54 0.00 0.00 39.78 34.27 2rp3 n ASN 53 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 2rp3 n PHE 54 N -3.41 0.00 0.21 3.10 1.16 -1.24 -3.97 117.46 113.31 2rp3 n PHE 54 Ca -0.17 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.45 2rp3 n PHE 54 Cb 0.63 -0.54 0.45 0.00 -1.61 0.00 0.00 39.48 38.41 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 1.12 0.00 1.97 6.09 -1.87 0.17 117.51 124.99 2rp3 h ILE 55 Ca -0.31 -0.99 -0.00 0.00 -1.37 0.00 0.00 64.86 62.20 2rp3 h ILE 55 Cb 1.55 1.54 -0.00 0.00 0.47 0.00 0.00 36.82 40.38 2rp3 h ILE 55 CO -0.03 0.27 -0.02 -0.08 -3.07 0.00 0.00 178.15 175.23 2rp3 h GLU 56 N 0.00 0.00 0.00 2.19 4.22 -1.97 -2.40 114.58 116.62 2rp3 h GLU 56 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 2rp3 h GLU 56 Cb 0.52 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 2rp3 h GLU 56 CO 0.04 0.02 -0.35 0.00 -2.18 0.00 0.00 179.01 176.53 2rp3 n ALA 57 N -2.13 2.36 -2.44 2.92 0.00 -0.22 -5.07 120.51 115.93 2rp3 n ALA 57 Ca -0.02 -2.12 -0.09 0.00 0.00 0.00 0.00 53.44 51.22 2rp3 n ALA 57 Cb 0.16 -0.46 -0.08 0.00 0.00 0.00 0.00 19.45 19.07 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 -3.96 2.12 -1.15 0.00 3.03 -0.30 -4.69 118.95 114.00 2rp3 s ARG 59 Ca 0.15 -1.48 -0.10 0.00 2.03 0.00 0.00 55.73 56.33 2rp3 s ARG 59 Cb 0.05 0.58 -0.03 0.00 -1.03 0.00 0.00 34.95 34.52 2rp3 s ARG 59 CO -0.04 -0.96 0.83 0.09 -1.13 0.00 0.00 175.30 174.09 2rp3 n ASN 60 N -1.33 -4.69 -4.79 -2.89 3.02 -1.26 -1.66 115.26 101.66 2rp3 n ASN 60 Ca -0.06 -0.84 -0.38 0.00 -0.03 0.00 0.00 54.58 53.27 2rp3 n ASN 60 Cb 0.60 -4.28 -0.06 0.00 -0.61 0.00 0.00 39.78 35.43 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 5.07 0.19 3.41 -4.23 -1.26 -4.14 115.64 111.20 2rp3 s THR 61 Ca 0.34 0.89 -0.21 0.00 -1.18 0.00 0.00 61.69 61.53 2rp3 s THR 61 Cb -0.08 -3.76 0.05 0.00 1.34 0.00 0.00 72.50 70.05 2rp3 s THR 61 CO 0.80 0.48 0.60 0.00 -0.54 0.00 0.00 174.62 175.96 2rp3 s GLN 62 N -0.43 1.40 -0.09 3.99 1.03 -0.97 -4.04 119.66 120.56 2rp3 s GLN 62 Ca 0.24 -0.67 -0.28 0.00 0.04 0.00 0.00 55.36 54.69 2rp3 s GLN 62 Cb -0.16 0.58 -0.02 0.00 0.03 0.00 0.00 33.01 33.43 2rp3 s GLN 62 CO 0.12 -0.61 0.93 -1.17 -2.54 0.00 0.00 175.29 172.02 2rp3 s LEU 63 N -2.81 4.27 -0.09 2.60 2.96 -1.26 -2.49 118.68 121.86 2rp3 s LEU 63 Ca 0.05 1.46 0.04 0.00 -0.22 0.00 0.00 54.13 55.45 2rp3 s LEU 63 Cb -0.02 -3.45 -0.01 0.00 0.50 0.00 0.00 46.19 43.22 2rp3 s LEU 63 CO -0.07 -0.36 -0.22 0.00 -1.32 0.00 0.00 176.35 174.39 2rp3 s ALA 64 N 1.66 2.28 0.00 5.97 0.00 -0.22 -4.85 121.76 126.59 2rp3 s ALA 64 Ca 0.46 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.45 2rp3 s ALA 64 Cb -0.19 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.07 2rp3 s ALA 64 CO 0.19 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.69 2rp3 n GLY 65 N 3.33 1.15 0.01 0.00 0.00 -1.26 -2.33 105.19 106.09 2rp3 n GLY 65 Ca -0.18 -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 2.64 0.00 -1.15 1.61 2.88 -1.26 -4.98 113.62 113.35 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 0.08 0.00 -0.75 0.00 0.00 64.21 63.55 2rp3 n SER 66 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2rp3 n SER 67 N -1.09 1.22 -4.48 -3.46 3.41 -1.24 -4.89 113.62 103.10 2rp3 n SER 67 Ca 0.00 -2.65 -0.29 0.00 -0.26 0.00 0.00 58.87 55.67 2rp3 n SER 67 Cb 0.00 -0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 63.46 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 -1.12 1.74 -0.26 4.33 2.02 -0.98 0.93 118.70 125.36 2rp3 s GLU 68 Ca 0.34 -1.23 0.03 0.00 0.02 0.00 0.00 54.97 54.13 2rp3 s GLU 68 Cb 0.37 -2.07 0.06 0.00 0.10 0.00 0.00 34.13 32.59 2rp3 s GLU 68 CO -0.13 0.47 -0.10 -1.17 0.02 0.00 0.00 175.26 174.35 2rp3 s LEU 69 N -2.22 3.35 -0.12 1.80 1.98 -0.07 -1.06 118.68 122.35 2rp3 s LEU 69 Ca 0.18 -1.39 -0.06 0.00 -2.89 0.00 0.00 54.13 49.97 2rp3 s LEU 69 Cb -0.10 -1.49 -0.04 0.00 0.66 0.00 0.00 46.19 45.22 2rp3 s LEU 69 CO 0.10 -0.20 0.12 0.00 -1.89 0.00 0.00 176.35 174.48 2rp3 s ALA 70 N 1.14 3.79 0.13 5.97 0.00 -1.04 -2.32 121.76 129.44 2rp3 s ALA 70 Ca -0.08 -0.66 -0.26 0.00 0.00 0.00 0.00 51.96 50.96 2rp3 s ALA 70 Cb -0.20 -1.90 0.07 0.00 0.00 0.00 0.00 23.12 21.09 2rp3 s ALA 70 CO -0.05 0.61 1.00 0.00 0.00 0.00 0.00 175.76 177.32 2rp3 s ALA 71 N -1.00 -1.73 -0.22 0.00 0.00 0.03 -2.28 121.76 116.56 2rp3 s ALA 71 Ca 0.15 0.21 -0.06 0.00 0.00 0.00 0.00 51.96 52.26 2rp3 s ALA 71 Cb -0.12 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 2rp3 s ALA 71 CO 0.04 -1.04 0.02 -1.21 0.00 0.00 0.00 175.76 173.57 2rp3 s GLU 72 N -3.17 3.62 -0.03 0.00 2.02 -0.67 -0.22 118.70 120.26 2rp3 s GLU 72 Ca 0.12 -0.51 0.07 0.00 0.02 0.00 0.00 54.97 54.67 2rp3 s GLU 72 Cb -0.01 -3.17 -0.01 0.00 0.10 0.00 0.00 34.13 31.04 2rp3 s GLU 72 CO 0.01 -0.07 -0.23 0.00 0.02 0.00 0.00 175.26 174.99 2rp3 s LYS 74 N -0.39 4.34 0.85 0.00 2.20 -0.71 -1.95 119.74 124.09 2rp3 s LYS 74 Ca 0.04 1.99 -0.12 0.00 -0.36 0.00 0.00 55.97 57.52 2rp3 s LYS 74 Cb -0.11 -3.33 0.10 0.00 -1.51 0.00 0.00 37.83 32.99 2rp3 s LYS 74 CO 0.01 -0.42 1.15 0.95 -0.36 0.00 0.00 175.35 176.68 2rp3 s THR 75 N 1.34 2.09 0.58 3.43 -4.23 0.17 -3.00 115.64 116.03 2rp3 s THR 75 Ca 0.63 0.03 0.27 0.00 -1.18 0.00 0.00 61.69 61.44 2rp3 s THR 75 Cb -0.34 -2.90 0.35 0.00 1.34 0.00 0.00 72.50 70.95 2rp3 s THR 75 CO 0.29 -0.04 2.13 0.00 -0.54 0.00 0.00 174.62 176.46 2rp3 h ALA 76 N -1.25 1.83 0.00 3.99 0.00 -1.88 0.29 119.26 122.23 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 1.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2rp3 h ALA 76 CO 0.64 -0.24 -0.29 0.00 0.00 0.00 0.00 179.25 179.36 2rp3 n ALA 77 N -2.38 2.81 -0.44 0.00 0.00 -1.26 -4.93 120.51 114.31 2rp3 n ALA 77 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2rp3 n ALA 77 Cb 0.28 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 1.43 1.42 3.07 0.00 0.00 0.10 -5.10 105.19 106.11 2rp3 n GLY 78 Ca 0.05 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.38 2.11 -0.28 1.61 -0.21 -1.25 -4.78 119.66 115.48 2rp3 s GLN 79 Ca 0.00 -0.55 -0.29 0.00 0.02 0.00 0.00 55.36 54.54 2rp3 s GLN 79 Cb 0.00 -1.71 0.00 0.00 1.00 0.00 0.00 33.01 32.30 2rp3 s GLN 79 CO 0.00 0.04 1.25 -0.06 -2.12 0.00 0.00 175.29 174.40 2rp3 s PHE 80 N 0.68 2.80 0.52 0.91 0.08 -1.26 0.43 117.98 122.15 2rp3 s PHE 80 Ca -0.13 0.96 0.06 0.00 0.12 0.00 0.00 56.93 57.94 2rp3 s PHE 80 Cb -0.16 -3.79 0.03 0.00 -0.57 0.00 0.00 43.02 38.53 2rp3 s PHE 80 CO 0.04 -1.53 0.43 0.14 -0.10 0.00 0.00 175.22 174.20 2rp3 s VAL 81 N 4.08 1.94 -0.41 -0.44 -7.23 -0.82 -4.87 120.40 112.65 2rp3 s VAL 81 Ca 0.54 -1.41 -0.18 0.00 -1.81 0.00 0.00 61.98 59.11 2rp3 s VAL 81 Cb -0.17 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 34.43 2rp3 s VAL 81 CO 0.20 0.00 0.50 -0.44 -0.31 0.00 0.00 175.10 175.05 2rp3 s SER 82 N -4.28 6.25 0.04 4.85 0.01 -1.26 -2.78 113.70 116.53 2rp3 s SER 82 Ca 0.40 -0.44 0.04 0.00 1.31 0.00 0.00 55.95 57.26 2rp3 s SER 82 Cb -0.02 -2.26 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 2rp3 s SER 82 CO 0.25 -0.60 -0.05 0.42 0.41 0.00 0.00 173.24 173.66 2rp3 s THR 83 N 2.37 3.76 0.15 1.44 -4.23 0.69 -4.98 115.64 114.84 2rp3 s THR 83 Ca 0.16 -0.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.80 2rp3 s THR 83 Cb -0.16 -2.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.94 2rp3 s THR 83 CO 0.15 0.28 0.01 -1.59 -0.54 0.00 0.00 174.62 172.94 2rp3 s LYS 84 N -1.77 1.02 -0.28 3.99 -2.85 -1.26 -0.79 119.74 117.80 2rp3 s LYS 84 Ca 0.20 -1.49 -0.21 0.00 -1.00 0.00 0.00 55.97 53.48 2rp3 s LYS 84 Cb -0.11 -0.09 0.13 0.00 -2.06 0.00 0.00 37.83 35.70 2rp3 s LYS 84 CO 0.11 -0.17 0.98 -1.50 0.10 0.00 0.00 175.35 174.88 2rp3 s ILE 85 N -3.78 0.00 -0.28 3.79 2.07 -0.98 -4.67 121.20 117.35 2rp3 s ILE 85 Ca 0.23 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 59.18 2rp3 s ILE 85 Cb 0.07 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.67 2rp3 s ILE 85 CO 0.02 0.00 1.03 0.21 -1.91 0.00 0.00 174.94 174.29 2rp3 s ASN 86 N 0.80 6.98 0.29 4.50 3.84 -1.26 -0.89 114.94 129.19 2rp3 s ASN 86 Ca -0.03 1.16 0.06 0.00 0.21 0.00 0.00 52.86 54.26 2rp3 s ASN 86 Cb -0.04 -2.53 0.43 0.00 -0.55 0.00 0.00 41.25 38.56 2rp3 s ASN 86 CO -0.11 -0.76 1.69 -0.07 -2.79 0.00 0.00 177.10 175.06 2rp3 h LEU 87 N 9.75 0.26 0.00 3.21 3.38 0.22 -2.28 115.31 129.84 2rp3 h LEU 87 Ca -0.20 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2rp3 h LEU 87 Cb 1.06 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2rp3 h LEU 87 CO 0.99 0.66 0.00 0.47 0.09 0.00 0.00 178.44 180.65 2rp3 n ASP 88 N -4.01 0.00 0.17 -0.43 8.00 -1.19 -0.34 116.55 118.75 2rp3 n ASP 88 Ca -0.02 0.49 0.04 0.00 0.71 0.00 0.00 54.79 56.01 2rp3 n ASP 88 Cb 0.49 -0.49 0.44 0.00 -0.02 0.00 0.00 41.12 41.54 2rp3 n ASP 88 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2rp3 h ASP 89 N 0.00 0.11 0.00 -2.24 1.82 -1.73 0.97 116.42 115.35 2rp3 h ASP 89 Ca 0.00 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 2rp3 h ASP 89 Cb 0.15 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.14 2rp3 h ASP 89 CO 0.00 0.29 0.00 1.41 -1.61 0.00 0.00 179.24 179.33 2rp3 n HIS 90 N -4.29 -0.02 -1.64 0.28 8.25 -1.00 -4.66 115.22 112.13 2rp3 n HIS 90 Ca -0.02 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 56.97 2rp3 n HIS 90 Cb 0.26 0.03 -0.05 0.00 1.12 0.00 0.00 29.99 31.36 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 -1.57 0.52 -4.50 1.59 2.08 0.54 -2.60 119.36 115.41 2rp3 n ILE 91 Ca 0.00 -0.18 -0.32 0.00 0.56 0.00 0.00 62.75 62.82 2rp3 n ILE 91 Cb 0.00 -1.98 -0.05 0.00 -0.75 0.00 0.00 39.64 36.86 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 5.14 4.34 -0.25 -1.39 0.00 0.55 -1.79 121.76 128.35 2rp3 s ALA 92 Ca 0.96 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.52 2rp3 s ALA 92 Cb -0.65 -0.23 0.06 0.00 0.00 0.00 0.00 23.12 22.31 2rp3 s ALA 92 CO 0.48 -0.15 -0.11 1.21 0.00 0.00 0.00 175.76 177.19 2rp3 s ASN 93 N -4.03 4.32 -0.39 0.00 2.47 -1.26 -2.06 114.94 113.99 2rp3 s ASN 93 Ca 0.11 -1.34 -0.05 0.00 0.42 0.00 0.00 52.86 52.01 2rp3 s ASN 93 Cb -0.01 -1.51 0.08 0.00 -1.45 0.00 0.00 41.25 38.37 2rp3 s ASN 93 CO 0.07 -0.19 0.17 -0.63 -3.72 0.00 0.00 177.10 172.81 2rp3 s ILE 94 N 1.14 3.56 -1.41 -5.21 -1.09 0.12 -4.60 121.20 113.71 2rp3 s ILE 94 Ca -0.08 -1.65 -0.02 0.00 -2.23 0.00 0.00 60.65 56.67 2rp3 s ILE 94 Cb -0.20 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 2rp3 s ILE 94 CO -0.06 -0.48 0.28 -0.67 -1.23 0.00 0.00 174.94 172.79 2rp3 n ASP 95 N 4.72 -5.33 0.00 3.58 -0.08 -1.26 -1.96 116.55 116.22 2rp3 n ASP 95 Ca -0.08 -0.14 0.00 0.00 -1.51 0.00 0.00 54.79 53.06 2rp3 n ASP 95 Cb 0.42 -4.27 0.00 0.00 2.34 0.00 0.00 41.12 39.61 2rp3 n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2rp3 n GLY 96 N -1.23 0.71 3.52 0.27 0.00 -1.22 -4.11 105.19 103.13 2rp3 n GLY 96 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.41 3.05 0.02 2.61 -4.23 -0.83 -4.12 115.64 109.72 2rp3 s THR 97 Ca 0.00 -1.42 -0.21 0.00 -1.18 0.00 0.00 61.69 58.88 2rp3 s THR 97 Cb 0.00 -2.41 -0.06 0.00 1.34 0.00 0.00 72.50 71.37 2rp3 s THR 97 CO 0.00 0.10 0.61 -0.76 -0.54 0.00 0.00 174.62 174.03 2rp3 s LEU 98 N -2.18 4.44 0.01 4.79 1.43 -1.26 0.12 118.68 126.02 2rp3 s LEU 98 Ca 0.19 1.21 -0.15 0.00 -1.03 0.00 0.00 54.13 54.35 2rp3 s LEU 98 Cb -0.11 -2.95 0.02 0.00 0.03 0.00 0.00 46.19 43.18 2rp3 s LEU 98 CO 0.12 0.12 0.33 -0.54 0.23 0.00 0.00 176.35 176.61 2rp3 s LYS 99 N -0.35 0.75 -0.01 1.70 1.02 -0.88 -4.77 119.74 117.21 2rp3 s LYS 99 Ca 0.31 -0.29 -0.20 0.00 0.02 0.00 0.00 55.97 55.82 2rp3 s LYS 99 Cb -0.19 0.33 -0.05 0.00 -0.52 0.00 0.00 37.83 37.40 2rp3 s LYS 99 CO 0.18 -0.22 0.57 -0.47 -0.92 0.00 0.00 175.35 174.49 2rp3 s TYR 100 N -1.81 3.68 -0.06 3.18 5.04 -1.26 -0.33 117.35 125.79 2rp3 s TYR 100 Ca -0.10 1.17 0.00 0.00 -2.44 0.00 0.00 57.07 55.70 2rp3 s TYR 100 Cb -0.03 -2.58 0.00 0.00 0.35 0.00 0.00 41.96 39.71 2rp3 s TYR 100 CO 0.02 0.37 0.51 0.39 -1.34 0.00 0.00 175.55 175.50