#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j28 s ALA 2 N 0.00 3.46 -0.46 0.00 0.00 -1.26 -4.84 121.76 118.66 2j28 s ALA 2 Ca 0.00 0.84 0.08 0.00 0.00 0.00 0.00 51.96 52.88 2j28 s ALA 2 Cb 0.00 -3.49 0.38 0.00 0.00 0.00 0.00 23.12 20.01 2j28 s ALA 2 CO 0.00 -0.60 0.96 1.63 0.00 0.00 0.00 175.76 177.75 2j28 n LYS 3 N 4.43 2.59 -3.61 0.00 5.02 -1.26 -5.02 118.16 120.31 2j28 n LYS 3 Ca 0.10 -4.26 -0.07 0.00 -2.02 0.00 0.00 58.31 52.06 2j28 n LYS 3 Cb 0.45 -2.00 -0.05 0.00 -0.02 0.00 0.00 35.03 33.41 2j28 n LYS 3 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2j28 s ILE 4 N -4.23 0.00 0.00 -0.18 -1.16 -1.26 -4.96 121.20 109.41 2j28 s ILE 4 Ca 0.44 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.58 2j28 s ILE 4 Cb 0.35 -1.00 0.00 0.00 0.61 0.00 0.00 42.46 42.42 2j28 s ILE 4 CO -0.12 0.00 0.00 -1.14 -2.81 0.00 0.00 174.94 170.87 2j28 n ARG 5 N 0.76 0.00 -0.00 3.50 0.63 -1.26 -4.91 116.66 115.39 2j28 n ARG 5 Ca -0.07 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.92 2j28 n ARG 5 Cb 0.58 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.42 2j28 n ARG 5 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2j28 n ARG 6 N -0.49 2.60 -3.65 -0.14 1.74 -1.26 -4.92 116.66 110.55 2j28 n ARG 6 Ca 0.00 -0.03 -0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2j28 n ARG 6 Cb 0.00 -1.09 -0.06 0.00 -1.02 0.00 0.00 32.46 30.29 2j28 n ARG 6 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2j28 s ASP 7 N -2.36 -0.13 -0.28 0.55 2.15 -1.26 -4.79 116.67 110.54 2j28 s ASP 7 Ca 0.02 0.23 -0.03 0.00 0.43 0.00 0.00 52.55 53.20 2j28 s ASP 7 Cb 0.08 0.80 0.11 0.00 -0.30 0.00 0.00 42.92 43.61 2j28 s ASP 7 CO 0.46 -0.04 0.18 -1.81 -0.17 0.00 0.00 175.17 173.80 2j28 s ASP 8 N 0.78 2.81 -0.72 -0.34 1.11 -1.26 -5.02 116.67 114.03 2j28 s ASP 8 Ca -0.04 -1.04 -0.26 0.00 0.18 0.00 0.00 52.55 51.39 2j28 s ASP 8 Cb -0.03 -0.05 -0.24 0.00 1.07 0.00 0.00 42.92 43.67 2j28 s ASP 8 CO -0.12 -0.41 1.89 -0.62 1.18 0.00 0.00 175.17 177.08 2j28 n GLU 9 N 5.27 0.63 -0.60 8.23 1.02 -1.24 -4.45 120.64 129.50 2j28 n GLU 9 Ca -0.05 -1.67 -0.19 0.00 -0.02 0.00 0.00 57.16 55.22 2j28 n GLU 9 Cb 0.44 -3.28 0.16 0.00 -0.02 0.00 0.00 31.44 28.75 2j28 n GLU 9 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2j28 n VAL 10 N 7.64 0.00 -3.06 2.62 0.24 -1.26 -0.58 118.33 123.94 2j28 n VAL 10 Ca 0.45 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.48 2j28 n VAL 10 Cb 0.44 -1.08 0.00 0.00 -1.47 0.00 0.00 33.84 31.73 2j28 n VAL 10 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2j28 n ILE 11 N -4.13 0.00 -3.25 1.34 2.08 0.42 -3.58 119.36 112.24 2j28 n ILE 11 Ca 0.10 0.00 -0.18 0.00 0.56 0.00 0.00 62.75 63.23 2j28 n ILE 11 Cb 0.38 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 39.20 2j28 n ILE 11 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 2j28 s VAL 12 N -0.10 -0.23 0.44 1.39 1.01 -1.23 -4.65 120.40 117.03 2j28 s VAL 12 Ca 0.00 -1.58 0.15 0.00 0.00 0.00 0.00 61.98 60.55 2j28 s VAL 12 Cb 0.00 -0.74 0.34 0.00 0.00 0.00 0.00 36.38 35.98 2j28 s VAL 12 CO 0.00 -0.70 1.97 -0.07 0.00 0.00 0.00 175.10 176.30 2j28 h LEU 13 N 6.14 0.34 -7.15 3.92 4.07 -1.85 -3.39 115.31 117.39 2j28 h LEU 13 Ca 0.13 0.01 -0.08 0.00 0.08 0.00 0.00 57.88 58.02 2j28 h LEU 13 Cb 1.01 -0.06 -0.19 0.00 1.08 0.00 0.00 40.66 42.50 2j28 h LEU 13 CO 0.22 0.20 0.05 0.42 -1.08 0.00 0.00 178.44 178.25 2j28 s THR 14 N -5.36 0.02 0.00 0.22 -4.23 -1.26 -5.01 115.64 100.02 2j28 s THR 14 Ca -0.07 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 2j28 s THR 14 Cb 0.20 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 73.15 2j28 s THR 14 CO 0.75 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 175.37 2j28 n GLY 15 N 1.11 0.17 4.48 3.99 0.00 -1.26 -4.78 105.19 108.91 2j28 n GLY 15 Ca -0.19 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2j28 n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2j28 n LYS 16 N 0.00 0.00 -4.39 1.61 4.76 -1.26 -4.88 118.16 114.00 2j28 n LYS 16 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 2j28 n LYS 16 Cb 0.00 -3.96 -0.11 0.00 -1.84 0.00 0.00 35.03 29.12 2j28 n LYS 16 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2j28 s ASP 17 N -1.88 3.02 -0.04 4.39 -1.08 -1.26 -5.08 116.67 114.73 2j28 s ASP 17 Ca 0.00 -0.95 -0.03 0.00 -0.52 0.00 0.00 52.55 51.05 2j28 s ASP 17 Cb 0.00 -0.21 -0.01 0.00 -1.46 0.00 0.00 42.92 41.24 2j28 s ASP 17 CO 0.00 -0.03 -0.06 0.29 0.52 0.00 0.00 175.17 175.89 2j28 n LYS 18 N -0.15 0.14 -2.79 4.34 4.76 -1.26 -4.50 118.16 118.70 2j28 n LYS 18 Ca -0.09 0.28 -0.10 0.00 -2.87 0.00 0.00 58.31 55.53 2j28 n LYS 18 Cb 0.59 -0.98 0.07 0.00 -1.84 0.00 0.00 35.03 32.86 2j28 n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2j28 n GLY 19 N 1.67 1.46 3.61 0.72 0.00 -1.26 -3.56 105.19 107.83 2j28 n GLY 19 Ca -0.02 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 2j28 n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2j28 s LYS 20 N -0.67 3.92 1.23 1.61 2.20 -1.26 -4.75 119.74 122.02 2j28 s LYS 20 Ca 0.26 0.70 -0.15 0.00 -0.36 0.00 0.00 55.97 56.41 2j28 s LYS 20 Cb 0.36 -3.77 0.30 0.00 -1.51 0.00 0.00 37.83 33.21 2j28 s LYS 20 CO -0.06 -0.87 1.01 1.03 -0.36 0.00 0.00 175.35 176.10 2j28 s ARG 21 N 3.38 -1.40 0.02 4.03 0.52 -1.23 -4.41 118.95 119.85 2j28 s ARG 21 Ca 0.38 0.58 -0.04 0.00 -0.52 0.00 0.00 55.73 56.13 2j28 s ARG 21 Cb -0.13 -1.52 0.01 0.00 0.52 0.00 0.00 34.95 33.84 2j28 s ARG 21 CO 0.16 -3.98 0.17 0.41 0.02 0.00 0.00 175.30 172.09 2j28 n GLY 22 N 0.72 0.95 0.00 -3.53 0.00 -1.25 -4.68 105.19 97.39 2j28 n GLY 22 Ca 0.05 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.15 2j28 n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2j28 n LYS 23 N -0.12 0.12 0.00 1.61 5.02 -1.26 -3.63 118.16 119.89 2j28 n LYS 23 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2j28 n LYS 23 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 2j28 n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2j28 n VAL 24 N 0.00 0.00 0.00 -0.18 0.31 -1.26 -4.48 118.33 112.71 2j28 n VAL 24 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2j28 n VAL 24 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2j28 n VAL 24 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2j28 n LYS 25 N 0.00 0.00 -2.40 5.55 4.01 0.20 -4.80 118.16 120.71 2j28 n LYS 25 Ca 0.00 0.00 -0.19 0.00 -0.51 0.00 0.00 58.31 57.61 2j28 n LYS 25 Cb 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 34.51 2j28 n LYS 25 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2j28 n ASN 26 N 4.39 -5.53 -4.71 4.39 4.13 -1.26 0.55 115.26 117.22 2j28 n ASN 26 Ca 0.00 -0.03 -0.30 0.00 1.68 0.00 0.00 54.58 55.92 2j28 n ASN 26 Cb 0.00 -4.56 0.14 0.00 -1.54 0.00 0.00 39.78 33.82 2j28 n ASN 26 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2j28 s VAL 27 N -2.97 2.73 0.00 2.41 -7.23 -1.19 -4.33 120.40 109.83 2j28 s VAL 27 Ca 0.02 0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.43 2j28 s VAL 27 Cb -0.01 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.31 2j28 s VAL 27 CO 0.02 -0.31 0.00 0.00 -0.31 0.00 0.00 175.10 174.50 2j28 n LEU 28 N -3.90 0.00 -3.49 1.32 -0.00 -1.26 -4.77 117.00 104.90 2j28 n LEU 28 Ca 0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.81 2j28 n LEU 28 Cb 0.54 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.83 2j28 n LEU 28 CO 0.54 0.00 -0.32 -0.55 -0.00 0.00 0.00 177.39 177.06 2j28 s SER 29 N 2.00 3.15 0.00 1.45 0.15 -1.26 -4.35 113.70 114.84 2j28 s SER 29 Ca 0.00 -1.77 0.00 0.00 0.70 0.00 0.00 55.95 54.88 2j28 s SER 29 Cb 0.00 -0.34 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 2j28 s SER 29 CO 0.00 -0.37 0.00 -0.24 1.20 0.00 0.00 173.24 173.83 2j28 n SER 30 N 4.58 -1.54 0.00 5.45 2.88 -1.26 -5.08 113.62 118.65 2j28 n SER 30 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2j28 n SER 30 Cb 0.39 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 2j28 n SER 30 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2j28 n GLY 31 N -0.47 -0.54 0.00 0.46 0.00 -1.26 -5.19 105.19 98.20 2j28 n GLY 31 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2j28 n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2j28 n LYS 32 N 0.00 2.58 -3.44 1.61 4.76 -1.26 -4.87 118.16 117.55 2j28 n LYS 32 Ca 0.00 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.24 2j28 n LYS 32 Cb 0.00 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.08 2j28 n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2j28 s VAL 33 N -0.13 -0.32 -0.09 -0.18 1.01 -1.26 -3.16 120.40 116.26 2j28 s VAL 33 Ca 0.00 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.48 2j28 s VAL 33 Cb 0.00 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 2j28 s VAL 33 CO 0.00 -0.52 -0.23 0.27 0.00 0.00 0.00 175.10 174.62 2j28 s ILE 34 N 2.30 2.18 0.07 2.22 -4.36 0.19 -4.30 121.20 119.51 2j28 s ILE 34 Ca 0.09 -0.99 -0.16 0.00 -0.26 0.00 0.00 60.65 59.33 2j28 s ILE 34 Cb -0.14 -1.83 0.03 0.00 1.25 0.00 0.00 42.46 41.77 2j28 s ILE 34 CO -0.33 0.56 0.39 0.54 0.24 0.00 0.00 174.94 176.33 2j28 s VAL 35 N 0.22 0.07 -0.85 8.37 0.11 -1.26 0.60 120.40 127.65 2j28 s VAL 35 Ca -0.15 -0.56 0.00 0.00 -2.93 0.00 0.00 61.98 58.35 2j28 s VAL 35 Cb -0.17 -1.04 0.00 0.00 -1.53 0.00 0.00 36.38 33.64 2j28 s VAL 35 CO 0.07 -0.31 0.80 1.21 -3.33 0.00 0.00 175.10 173.54 2j28 n GLU 36 N 0.24 0.00 -0.40 1.54 4.07 -1.26 -2.87 120.64 121.97 2j28 n GLU 36 Ca -0.18 0.32 0.34 0.00 -0.06 0.00 0.00 57.16 57.58 2j28 n GLU 36 Cb 0.61 -1.61 0.66 0.00 -0.06 0.00 0.00 31.44 31.04 2j28 n GLU 36 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 2j28 h GLY 37 N 0.00 0.71 -3.67 8.31 0.00 -1.83 -3.41 103.07 103.18 2j28 h GLY 37 Ca 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 47.33 47.11 2j28 h GLY 37 CO 0.00 -0.15 -0.64 -0.26 0.00 0.00 0.00 176.54 175.50 2j28 s ILE 38 N -5.20 0.18 0.02 2.60 -4.36 -1.14 -4.78 121.20 108.53 2j28 s ILE 38 Ca -0.07 -1.49 -0.28 0.00 -0.26 0.00 0.00 60.65 58.55 2j28 s ILE 38 Cb 0.26 -1.18 0.10 0.00 1.25 0.00 0.00 42.46 42.88 2j28 s ILE 38 CO 0.82 -0.82 0.93 0.54 0.24 0.00 0.00 174.94 176.65 2j28 s ASN 39 N -2.53 -0.30 0.00 4.36 4.22 -1.26 -4.80 114.94 114.63 2j28 s ASN 39 Ca 0.01 -0.09 0.00 0.00 -2.14 0.00 0.00 52.86 50.64 2j28 s ASN 39 Cb 0.03 0.39 0.00 0.00 1.28 0.00 0.00 41.25 42.95 2j28 s ASN 39 CO -0.08 -0.65 0.00 0.00 -2.04 0.00 0.00 177.10 174.33 2j28 n LEU 40 N -0.29 0.00 -3.27 3.54 -0.00 -1.26 -4.86 117.00 110.85 2j28 n LEU 40 Ca -0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.91 2j28 n LEU 40 Cb 0.61 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.99 2j28 n LEU 40 CO 0.11 0.00 0.07 0.54 -0.00 0.00 0.00 177.39 178.11 2j28 s VAL 41 N -1.64 -0.82 -0.30 1.47 0.11 -1.26 -3.69 120.40 114.28 2j28 s VAL 41 Ca 0.00 -0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 58.85 2j28 s VAL 41 Cb 0.00 -0.91 0.18 0.00 -1.53 0.00 0.00 36.38 34.12 2j28 s VAL 41 CO 0.00 -0.05 1.23 -0.75 -3.33 0.00 0.00 175.10 172.20 2j28 s LYS 42 N 2.72 0.05 0.66 1.54 2.47 -1.26 -5.04 119.74 120.88 2j28 s LYS 42 Ca 0.16 0.10 -0.12 0.00 -1.56 0.00 0.00 55.97 54.54 2j28 s LYS 42 Cb -0.15 0.06 -0.01 0.00 -1.46 0.00 0.00 37.83 36.27 2j28 s LYS 42 CO -0.18 -0.04 1.05 0.15 0.16 0.00 0.00 175.35 176.48 2j28 s LYS 43 N 2.74 3.15 -0.06 4.03 1.02 -1.26 -4.95 119.74 124.42 2j28 s LYS 43 Ca -0.07 0.96 -0.00 0.00 0.02 0.00 0.00 55.97 56.88 2j28 s LYS 43 Cb -0.07 -2.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.19 2j28 s LYS 43 CO -0.10 -0.93 -0.02 -1.01 -0.92 0.00 0.00 175.35 172.37 2j28 s HIS 44 N -2.95 3.06 0.14 3.18 3.76 -1.26 -5.06 115.29 116.16 2j28 s HIS 44 Ca 0.58 0.11 -0.34 0.00 -0.15 0.00 0.00 55.06 55.27 2j28 s HIS 44 Cb -0.14 -1.74 -0.17 0.00 1.11 0.00 0.00 32.58 31.65 2j28 s HIS 44 CO 0.51 0.42 1.05 0.94 -0.85 0.00 0.00 174.74 176.81 2j28 n GLN 45 N 2.02 0.75 -3.70 1.40 0.00 -1.26 -4.98 117.38 111.60 2j28 n GLN 45 Ca -0.18 0.27 -0.30 0.00 -0.00 0.00 0.00 57.00 56.79 2j28 n GLN 45 Cb 0.53 -1.69 -0.14 0.00 0.00 0.00 0.00 30.24 28.94 2j28 n GLN 45 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2j28 s LYS 46 N -0.37 0.77 0.49 3.69 3.01 -1.26 -5.05 119.74 121.02 2j28 s LYS 46 Ca 0.76 -1.23 -0.22 0.00 -1.01 0.00 0.00 55.97 54.27 2j28 s LYS 46 Cb -0.95 -1.95 -0.06 0.00 -1.01 0.00 0.00 37.83 33.85 2j28 s LYS 46 CO 0.54 -1.04 1.20 -2.14 0.51 0.00 0.00 175.35 174.42 2j28 s PRO 47 N 1.37 3.55 -1.19 -1.68 0.02 -1.26 -4.79 135.00 131.02 2j28 s PRO 47 Ca 0.12 1.85 -0.10 0.00 0.02 0.00 0.00 61.00 62.89 2j28 s PRO 47 Cb -0.19 -2.30 0.22 0.00 0.02 0.00 0.00 34.50 32.24 2j28 s PRO 47 CO -0.19 -0.75 1.49 0.28 -0.33 0.00 0.00 177.00 177.50 2j28 n VAL 48 N -0.75 4.54 0.19 3.83 0.31 -1.26 -4.45 118.33 120.75 2j28 n VAL 48 Ca 0.09 -5.01 -0.12 0.00 -0.01 0.00 0.00 64.34 59.29 2j28 n VAL 48 Cb 0.48 -2.40 -0.07 0.00 -0.91 0.00 0.00 33.84 30.94 2j28 n VAL 48 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2j28 h PRO 49 N 6.37 -0.51 -6.50 5.55 0.13 -2.02 -3.43 132.00 131.60 2j28 h PRO 49 Ca 0.29 0.03 -0.64 0.00 -0.87 0.00 0.00 66.00 64.82 2j28 h PRO 49 Cb 0.76 0.12 -0.15 0.00 0.13 0.00 0.00 31.00 31.85 2j28 h PRO 49 CO 1.31 -0.20 -0.75 0.00 -0.23 0.00 0.00 178.00 178.13 2j28 s ALA 50 N -4.50 2.83 -0.53 -0.56 0.00 -1.26 -4.99 121.76 112.75 2j28 s ALA 50 Ca -0.13 -1.51 -0.27 0.00 0.00 0.00 0.00 51.96 50.05 2j28 s ALA 50 Cb 0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 2j28 s ALA 50 CO 0.45 0.46 1.73 -1.17 0.00 0.00 0.00 175.76 177.23 2j28 s LEU 51 N -2.76 3.37 -0.06 0.00 2.96 -1.26 -4.63 118.68 116.31 2j28 s LEU 51 Ca 0.23 0.57 0.01 0.00 -0.22 0.00 0.00 54.13 54.73 2j28 s LEU 51 Cb -0.09 -2.91 0.12 0.00 0.50 0.00 0.00 46.19 43.81 2j28 s LEU 51 CO 0.14 -2.04 1.00 0.59 -1.32 0.00 0.00 176.35 174.72 2j28 n ASN 52 N 11.33 2.68 -4.13 3.68 5.03 -1.26 -4.62 115.26 127.96 2j28 n ASN 52 Ca 0.19 -2.23 -0.37 0.00 0.87 0.00 0.00 54.58 53.04 2j28 n ASN 52 Cb 0.50 -0.55 -0.11 0.00 -1.02 0.00 0.00 39.78 38.60 2j28 n ASN 52 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 2j28 s GLN 53 N -0.79 2.12 0.20 3.52 0.74 -1.26 -4.87 119.66 119.31 2j28 s GLN 53 Ca 0.09 -1.88 0.01 0.00 0.05 0.00 0.00 55.36 53.64 2j28 s GLN 53 Cb 0.08 -3.65 0.13 0.00 1.10 0.00 0.00 33.01 30.67 2j28 s GLN 53 CO 0.02 -1.10 1.49 -1.35 -0.55 0.00 0.00 175.29 173.80 2j28 h PRO 54 N 8.02 0.33 0.00 1.67 0.11 -1.99 -3.49 132.00 136.64 2j28 h PRO 54 Ca -0.13 -0.25 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2j28 h PRO 54 Cb 1.04 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2j28 h PRO 54 CO 0.72 0.88 0.00 0.41 -0.21 0.00 0.00 178.00 179.81 2j28 n GLY 55 N 0.44 0.31 1.11 -0.55 0.00 -1.26 -5.11 105.19 100.13 2j28 n GLY 55 Ca -0.03 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.16 2j28 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j28 n GLY 56 N 0.56 -3.34 3.12 -0.02 0.00 -1.26 -5.06 105.19 99.19 2j28 n GLY 56 Ca 0.00 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 2j28 n GLY 56 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2j28 s ILE 57 N -0.08 1.31 0.00 -0.61 -1.16 -1.26 -5.00 121.20 114.40 2j28 s ILE 57 Ca 0.00 -0.66 0.00 0.00 -0.51 0.00 0.00 60.65 59.48 2j28 s ILE 57 Cb 0.00 -1.12 0.00 0.00 0.61 0.00 0.00 42.46 41.95 2j28 s ILE 57 CO 0.00 0.38 0.00 1.33 -2.81 0.00 0.00 174.94 173.84 2j28 n VAL 58 N 3.09 0.00 -1.25 4.00 0.24 -1.24 -4.63 118.33 118.54 2j28 n VAL 58 Ca -0.18 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.81 2j28 n VAL 58 Cb 0.53 0.00 0.10 0.00 -1.47 0.00 0.00 33.84 33.00 2j28 n VAL 58 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2j28 s GLU 59 N 3.98 2.07 0.00 7.34 2.12 -1.24 -4.28 118.70 128.69 2j28 s GLU 59 Ca 0.00 1.37 0.00 0.00 0.36 0.00 0.00 54.97 56.70 2j28 s GLU 59 Cb 0.00 -1.86 0.00 0.00 0.26 0.00 0.00 34.13 32.53 2j28 s GLU 59 CO 0.00 -1.81 0.00 1.63 -0.54 0.00 0.00 175.26 174.54 2j28 n LYS 60 N -3.36 0.00 -3.34 4.30 4.01 -1.26 -4.92 118.16 113.58 2j28 n LYS 60 Ca 0.10 0.00 -0.31 0.00 -0.51 0.00 0.00 58.31 57.59 2j28 n LYS 60 Cb 0.52 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 34.98 2j28 n LYS 60 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2j28 n GLU 61 N 0.00 2.98 -0.96 1.97 1.02 -1.26 -5.02 120.64 119.37 2j28 n GLU 61 Ca 0.00 -4.64 -0.34 0.00 -0.02 0.00 0.00 57.16 52.15 2j28 n GLU 61 Cb 0.00 -2.32 0.09 0.00 -0.02 0.00 0.00 31.44 29.19 2j28 n GLU 61 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2j28 n ALA 62 N 1.02 -2.86 -1.00 0.62 0.00 -1.26 -4.96 120.51 112.07 2j28 n ALA 62 Ca 0.29 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2j28 n ALA 62 Cb 0.39 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.15 2j28 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j28 n ALA 63 N -3.05 0.00 -3.04 0.00 0.00 -1.26 -4.49 120.51 108.68 2j28 n ALA 63 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.50 2j28 n ALA 63 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.98 2j28 n ALA 63 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2j28 n ILE 64 N 0.00 -4.78 -0.01 0.00 5.41 -1.26 -4.47 119.36 114.24 2j28 n ILE 64 Ca 0.00 0.87 0.00 0.00 1.00 0.00 0.00 62.75 64.62 2j28 n ILE 64 Cb 0.00 -4.03 0.00 0.00 -0.71 0.00 0.00 39.64 34.90 2j28 n ILE 64 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 2j28 n GLN 65 N 1.35 3.82 0.00 0.38 0.00 -1.26 -4.51 117.38 117.15 2j28 n GLN 65 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.98 2j28 n GLN 65 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.57 2j28 n GLN 65 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 2j28 n VAL 66 N 0.00 0.00 -3.62 1.69 3.14 -1.26 -4.57 118.33 113.71 2j28 n VAL 66 Ca 0.00 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.18 2j28 n VAL 66 Cb 0.00 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 32.83 2j28 n VAL 66 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2j28 n SER 67 N 0.00 -1.78 -3.76 6.55 7.64 -1.26 -5.00 113.62 116.01 2j28 n SER 67 Ca 0.00 -0.74 -0.20 0.00 1.01 0.00 0.00 58.87 58.93 2j28 n SER 67 Cb 0.00 -4.43 -0.17 0.00 -1.01 0.00 0.00 64.21 58.60 2j28 n SER 67 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2j28 s ASN 68 N -4.28 1.13 0.27 6.43 2.47 -1.26 -4.83 114.94 114.87 2j28 s ASN 68 Ca 0.05 -0.03 -0.29 0.00 0.42 0.00 0.00 52.86 53.01 2j28 s ASN 68 Cb -0.02 -0.30 -0.10 0.00 -1.45 0.00 0.00 41.25 39.38 2j28 s ASN 68 CO 0.78 -0.18 1.27 0.68 -3.72 0.00 0.00 177.10 175.93 2j28 s VAL 69 N 1.73 3.05 0.47 -5.21 -7.23 -1.26 -4.87 120.40 107.07 2j28 s VAL 69 Ca 0.00 0.98 0.03 0.00 -1.81 0.00 0.00 61.98 61.19 2j28 s VAL 69 Cb -0.13 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 33.20 2j28 s VAL 69 CO -0.03 0.20 0.66 0.00 -0.31 0.00 0.00 175.10 175.62 2j28 s ALA 70 N -0.69 4.06 0.67 1.32 0.00 -1.26 -0.44 121.76 125.42 2j28 s ALA 70 Ca 0.51 -1.36 -0.17 0.00 0.00 0.00 0.00 51.96 50.94 2j28 s ALA 70 Cb -0.37 -1.93 -0.07 0.00 0.00 0.00 0.00 23.12 20.75 2j28 s ALA 70 CO 0.45 -0.46 0.39 1.51 0.00 0.00 0.00 175.76 177.65 2j28 n ILE 71 N -2.07 1.62 -3.68 0.00 0.00 0.25 -4.55 119.36 110.92 2j28 n ILE 71 Ca 0.05 -0.44 -0.12 0.00 0.00 0.00 0.00 62.75 62.24 2j28 n ILE 71 Cb 0.59 -0.60 -0.09 0.00 0.00 0.00 0.00 39.64 39.54 2j28 n ILE 71 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 2j28 s PHE 72 N -1.87 -0.66 0.61 9.51 5.36 -1.26 -4.99 117.98 124.67 2j28 s PHE 72 Ca 0.64 1.54 0.27 0.00 -0.96 0.00 0.00 56.93 58.43 2j28 s PHE 72 Cb -0.38 0.27 1.35 0.00 -0.34 0.00 0.00 43.02 43.92 2j28 s PHE 72 CO 0.59 -0.33 1.77 -0.91 -1.46 0.00 0.00 175.22 174.88 2j28 h ASN 73 N 5.72 0.00 0.00 6.13 2.35 -1.98 -3.40 115.58 124.39 2j28 h ASN 73 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 2j28 h ASN 73 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 2j28 h ASN 73 CO 0.17 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.95 2j28 n ALA 74 N -2.20 0.00 -1.00 -0.83 0.00 -1.26 -5.11 120.51 110.11 2j28 n ALA 74 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2j28 n ALA 74 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.21 2j28 n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j28 n ALA 75 N -3.00 0.00 -3.02 0.00 0.00 -1.26 -5.09 120.51 108.13 2j28 n ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2j28 n ALA 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2j28 n ALA 75 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2j28 n THR 76 N 0.00 0.00 0.00 0.00 -2.24 -1.26 -4.65 114.28 106.13 2j28 n THR 76 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2j28 n THR 76 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2j28 n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j28 n GLY 77 N 0.73 3.78 2.95 3.38 0.00 -1.26 -4.94 105.19 109.83 2j28 n GLY 77 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 2j28 n GLY 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2j28 n LYS 78 N 13.98 -1.26 -1.72 1.61 4.76 -1.26 -4.29 118.16 129.98 2j28 n LYS 78 Ca 0.00 1.45 -0.42 0.00 -2.87 0.00 0.00 58.31 56.47 2j28 n LYS 78 Cb 0.00 -5.48 -0.03 0.00 -1.84 0.00 0.00 35.03 27.68 2j28 n LYS 78 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2j28 n ALA 79 N -1.68 2.82 -1.03 7.82 0.00 -1.26 -4.68 120.51 122.51 2j28 n ALA 79 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2j28 n ALA 79 Cb 0.50 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.42 2j28 n ALA 79 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2j28 n ASP 80 N 4.10 0.00 -1.73 0.00 5.75 -1.26 -3.47 116.55 119.95 2j28 n ASP 80 Ca 0.16 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.93 2j28 n ASP 80 Cb 0.35 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.44 2j28 n ASP 80 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2j28 n ARG 81 N 0.00 -2.39 0.14 0.11 0.63 -1.26 -4.75 116.66 109.14 2j28 n ARG 81 Ca 0.00 2.01 0.00 0.00 -0.92 0.00 0.00 57.85 58.94 2j28 n ARG 81 Cb 0.00 -2.60 0.00 0.00 0.45 0.00 0.00 32.46 30.31 2j28 n ARG 81 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2j28 n VAL 82 N 0.85 0.00 0.00 5.15 0.31 -1.26 -4.81 118.33 118.57 2j28 n VAL 82 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2j28 n VAL 82 Cb 0.08 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 2j28 n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2j28 n GLY 83 N 0.70 2.83 3.32 2.92 0.00 -1.19 -4.99 105.19 108.79 2j28 n GLY 83 Ca 0.00 -1.47 -0.17 0.00 0.00 0.00 0.00 46.02 44.38 2j28 n GLY 83 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2j28 s PHE 84 N -0.61 1.54 0.49 1.61 5.36 -1.16 -4.92 117.98 120.29 2j28 s PHE 84 Ca 0.00 -1.07 -0.17 0.00 -0.96 0.00 0.00 56.93 54.73 2j28 s PHE 84 Cb 0.00 -0.91 -0.09 0.00 -0.34 0.00 0.00 43.02 41.68 2j28 s PHE 84 CO 0.00 -0.20 0.96 1.03 -1.46 0.00 0.00 175.22 175.55 2j28 s ARG 85 N -3.96 4.01 0.76 10.12 1.81 -1.26 -4.81 118.95 125.62 2j28 s ARG 85 Ca 0.33 0.96 0.00 0.00 -1.72 0.00 0.00 55.73 55.30 2j28 s ARG 85 Cb 0.07 -2.17 0.00 0.00 -0.45 0.00 0.00 34.95 32.41 2j28 s ARG 85 CO 0.11 -0.19 0.00 1.19 -0.68 0.00 0.00 175.30 175.73 2j28 n PHE 86 N -1.32 0.00 -3.14 -0.53 3.72 -1.26 -4.77 117.46 110.16 2j28 n PHE 86 Ca 0.06 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.36 2j28 n PHE 86 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 2j28 n PHE 86 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2j28 n GLU 87 N 5.51 -0.60 0.00 -1.08 1.02 -1.26 -1.31 120.64 122.92 2j28 n GLU 87 Ca 0.00 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2j28 n GLU 87 Cb 0.00 -0.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 2j28 n GLU 87 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2j28 n ASP 88 N -0.56 0.00 0.00 1.62 8.00 -1.26 -4.68 116.55 119.67 2j28 n ASP 88 Ca -0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.39 2j28 n ASP 88 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 2j28 n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j28 n GLY 89 N 0.00 0.82 0.11 0.44 0.00 -0.43 -4.82 105.19 101.31 2j28 n GLY 89 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2j28 n GLY 89 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2j28 n LYS 90 N -2.07 1.15 0.00 1.61 2.85 -1.26 -4.83 118.16 115.60 2j28 n LYS 90 Ca 0.00 -0.21 0.00 0.00 -1.05 0.00 0.00 58.31 57.05 2j28 n LYS 90 Cb 0.01 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 32.91 2j28 n LYS 90 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2j28 n LYS 91 N -0.73 0.00 -0.24 -1.58 4.81 -1.26 -5.02 118.16 114.14 2j28 n LYS 91 Ca 0.22 0.00 0.20 0.00 -0.87 0.00 0.00 58.31 57.86 2j28 n LYS 91 Cb 0.16 0.00 0.52 0.00 0.02 0.00 0.00 35.03 35.73 2j28 n LYS 91 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 2j28 h VAL 92 N 0.82 0.67 -4.26 3.15 -1.51 -1.93 -3.46 116.25 109.73 2j28 h VAL 92 Ca 0.00 -0.13 -0.08 0.00 -1.23 0.00 0.00 66.70 65.26 2j28 h VAL 92 Cb 0.00 0.26 0.00 0.00 -2.13 0.00 0.00 31.29 29.42 2j28 h VAL 92 CO 0.00 0.07 -0.20 0.54 -1.23 0.00 0.00 177.57 176.75 2j28 n ARG 93 N -4.50 -0.29 0.00 5.19 1.74 -1.26 -2.96 116.66 114.58 2j28 n ARG 93 Ca 0.19 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 2j28 n ARG 93 Cb 0.71 -0.36 0.00 0.00 -1.02 0.00 0.00 32.46 31.79 2j28 n ARG 93 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2j28 n PHE 94 N -0.52 0.00 0.00 -1.55 -0.00 -1.26 -4.78 117.46 109.35 2j28 n PHE 94 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 2j28 n PHE 94 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.60 2j28 n PHE 94 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 2j28 n PHE 95 N 0.00 0.00 -2.96 -5.13 3.72 -1.24 -4.05 117.46 107.80 2j28 n PHE 95 Ca 0.00 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.09 2j28 n PHE 95 Cb 0.00 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 2j28 n PHE 95 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 2j28 s LYS 96 N -2.00 3.89 7.83 -1.08 0.00 -1.23 -4.71 119.74 122.44 2j28 s LYS 96 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 55.97 56.55 2j28 s LYS 96 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 37.83 35.44 2j28 s LYS 96 CO 0.00 0.04 0.00 0.45 0.00 0.00 0.00 175.35 175.84 2j28 n SER 97 N -0.90 0.00 -3.86 0.03 2.88 -1.26 -4.49 113.62 106.02 2j28 n SER 97 Ca 0.03 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.31 2j28 n SER 97 Cb 0.54 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.83 2j28 n SER 97 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2j28 s ASN 98 N -4.00 2.17 0.00 -3.46 4.22 -1.26 -5.08 114.94 107.53 2j28 s ASN 98 Ca 0.00 -0.33 0.00 0.00 -2.14 0.00 0.00 52.86 50.39 2j28 s ASN 98 Cb 0.00 -0.74 0.00 0.00 1.28 0.00 0.00 41.25 41.79 2j28 s ASN 98 CO 0.00 -0.16 0.00 -0.24 -2.04 0.00 0.00 177.10 174.66 2j28 n SER 99 N 4.99 0.00 0.09 3.54 2.88 -1.26 -5.09 113.62 118.76 2j28 n SER 99 Ca -0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 2j28 n SER 99 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2j28 n SER 99 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2j28 n GLU 100 N -0.91 0.00 -4.31 -1.46 1.02 -1.26 -3.60 120.64 110.12 2j28 n GLU 100 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 2j28 n GLU 100 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 2j28 n GLU 100 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2j28 s THR 101 N -1.39 3.17 -2.34 2.62 -4.23 -1.26 -4.42 115.64 107.78 2j28 s THR 101 Ca 0.00 -1.98 0.19 0.00 -1.18 0.00 0.00 61.69 58.71 2j28 s THR 101 Cb 0.00 -2.76 0.15 0.00 1.34 0.00 0.00 72.50 71.22 2j28 s THR 101 CO 0.00 -0.34 1.09 0.00 -0.54 0.00 0.00 174.62 174.83