#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n s LYS 2 N 0.00 4.17 -0.23 3.17 1.02 -0.82 -4.83 119.74 122.23 3i1n s LYS 2 Ca 0.00 1.79 -0.07 0.00 0.02 0.00 0.00 55.97 57.72 3i1n s LYS 2 Cb 0.00 -2.75 -0.12 0.00 -0.52 0.00 0.00 37.83 34.45 3i1n s LYS 2 CO 0.00 -0.20 -0.26 1.33 -0.92 0.00 0.00 175.35 175.29 3i1n n VAL 3 N 0.25 1.29 -0.09 3.17 0.24 -1.26 -0.71 118.33 121.21 3i1n n VAL 3 Ca 0.03 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 3i1n n VAL 3 Cb 0.47 -1.62 0.00 0.00 -1.47 0.00 0.00 33.84 31.22 3i1n n VAL 3 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 3i1n n ARG 4 N -3.72 0.00 0.02 7.34 1.85 -1.26 -3.83 116.66 117.07 3i1n n ARG 4 Ca -0.44 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.23 3i1n n ARG 4 Cb 0.86 -0.09 -0.14 0.00 -1.05 0.00 0.00 32.46 32.04 3i1n n ARG 4 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i1n h ALA 5 N -0.18 0.43 -3.24 2.89 0.00 -1.89 -3.40 119.26 113.86 3i1n h ALA 5 Ca 0.00 -1.31 -0.61 0.00 0.00 0.00 0.00 54.91 52.99 3i1n h ALA 5 Cb 0.10 0.53 -0.14 0.00 0.00 0.00 0.00 17.79 18.27 3i1n h ALA 5 CO 0.00 1.29 -0.53 -1.54 0.00 0.00 0.00 179.25 178.47 3i1n s SER 6 N -6.86 5.90 -0.10 0.00 1.04 -1.26 -4.60 113.70 107.81 3i1n s SER 6 Ca -0.15 0.14 -0.11 0.00 0.48 0.00 0.00 55.95 56.31 3i1n s SER 6 Cb 0.07 -2.03 -0.05 0.00 0.10 0.00 0.00 66.02 64.11 3i1n s SER 6 CO 0.81 0.16 -0.22 1.33 0.98 0.00 0.00 173.24 176.30 3i1n n VAL 7 N 3.65 1.30 -1.35 5.02 0.24 -1.26 -5.03 118.33 120.90 3i1n n VAL 7 Ca -0.16 0.12 0.04 0.00 -2.04 0.00 0.00 64.34 62.30 3i1n n VAL 7 Cb 0.52 -1.99 -0.02 0.00 -1.47 0.00 0.00 33.84 30.87 3i1n n VAL 7 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3i1n n LYS 8 N -4.03 -3.45 -2.65 7.34 5.02 -1.26 -4.92 118.16 114.21 3i1n n LYS 8 Ca -0.15 2.71 -0.26 0.00 -2.02 0.00 0.00 58.31 58.60 3i1n n LYS 8 Cb 0.43 -3.51 0.02 0.00 -0.02 0.00 0.00 35.03 31.95 3i1n n LYS 8 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3i1n s LYS 9 N -4.96 3.11 0.00 1.97 3.01 -1.26 -4.95 119.74 116.66 3i1n s LYS 9 Ca 0.00 -0.12 0.00 0.00 -1.01 0.00 0.00 55.97 54.84 3i1n s LYS 9 Cb 0.00 -2.39 0.00 0.00 -1.01 0.00 0.00 37.83 34.43 3i1n s LYS 9 CO 0.00 -0.44 0.00 1.28 0.51 0.00 0.00 175.35 176.70 3i1n n LEU 10 N -2.34 0.81 -4.91 3.17 4.77 -1.26 -5.09 117.00 112.15 3i1n n LEU 10 Ca 0.02 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.80 3i1n n LEU 10 Cb 0.57 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.64 3i1n n LEU 10 CO 0.51 0.04 0.05 0.00 -1.33 0.00 0.00 177.39 176.67 3i1n n ARG 12 N -1.66 0.07 -0.00 0.00 1.85 -1.26 -3.02 116.66 112.63 3i1n n ARG 12 Ca 0.05 0.24 0.09 0.00 -1.00 0.00 0.00 57.85 57.23 3i1n n ARG 12 Cb 0.61 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 30.40 3i1n n ARG 12 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3i1n n ASN 13 N -1.42 0.79 -4.47 2.89 3.02 -1.26 -4.98 115.26 109.84 3i1n n ASN 13 Ca 0.04 -0.40 -0.37 0.00 -0.03 0.00 0.00 54.58 53.83 3i1n n ASN 13 Cb 0.13 1.48 0.06 0.00 -0.61 0.00 0.00 39.78 40.84 3i1n n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1n n LYS 15 N -0.59 3.17 -1.99 0.00 5.02 0.01 -4.92 118.16 118.86 3i1n n LYS 15 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3i1n n LYS 15 Cb 0.49 -0.43 0.00 0.00 -0.02 0.00 0.00 35.03 35.07 3i1n n LYS 15 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3i1n n ILE 16 N -0.47 -6.29 -3.77 -0.18 2.08 -1.24 -4.88 119.36 104.62 3i1n n ILE 16 Ca 0.00 1.54 -0.13 0.00 0.56 0.00 0.00 62.75 64.72 3i1n n ILE 16 Cb 0.00 -3.26 -0.12 0.00 -0.75 0.00 0.00 39.64 35.51 3i1n n ILE 16 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3i1n s VAL 17 N -0.26 -0.01 -0.35 1.39 1.01 0.25 -4.95 120.40 117.48 3i1n s VAL 17 Ca 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 3i1n s VAL 17 Cb 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 3i1n s VAL 17 CO 0.00 0.02 0.40 -0.75 0.00 0.00 0.00 175.10 174.77 3i1n s LYS 18 N 0.50 3.52 0.01 2.72 2.20 -1.26 0.22 119.74 127.64 3i1n s LYS 18 Ca -0.03 -0.40 0.08 0.00 -0.36 0.00 0.00 55.97 55.26 3i1n s LYS 18 Cb -0.04 -3.82 -0.02 0.00 -1.51 0.00 0.00 37.83 32.43 3i1n s LYS 18 CO -0.03 -0.59 -0.25 1.03 -0.36 0.00 0.00 175.35 175.16 3i1n s ARG 19 N 2.11 2.03 3.75 4.03 0.52 -0.33 -4.86 118.95 126.19 3i1n s ARG 19 Ca 0.13 -0.98 0.00 0.00 -0.52 0.00 0.00 55.73 54.36 3i1n s ARG 19 Cb -0.16 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.25 3i1n s ARG 19 CO 0.12 0.55 0.00 -0.25 0.02 0.00 0.00 175.30 175.74 3i1n n ASP 20 N 2.12 0.00 -1.27 0.23 10.43 -1.26 0.05 116.55 126.85 3i1n n ASP 20 Ca -0.16 0.00 0.04 0.00 2.57 0.00 0.00 54.79 57.24 3i1n n ASP 20 Cb 0.52 0.00 0.28 0.00 1.84 0.00 0.00 41.12 43.76 3i1n n ASP 20 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3i1n n GLY 21 N 0.00 3.95 3.08 0.44 0.00 -1.26 -5.00 105.19 106.39 3i1n n GLY 21 Ca 0.00 -1.05 -0.25 0.00 0.00 0.00 0.00 46.02 44.72 3i1n n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1n s VAL 22 N -2.91 1.27 0.10 1.61 1.01 0.11 -5.09 120.40 116.49 3i1n s VAL 22 Ca 0.47 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 3i1n s VAL 22 Cb 0.38 -1.12 -0.06 0.00 0.00 0.00 0.00 36.38 35.58 3i1n s VAL 22 CO 0.09 0.38 1.08 -0.63 0.00 0.00 0.00 175.10 176.02 3i1n s ILE 23 N 0.34 4.22 0.18 2.22 1.01 -1.26 -1.19 121.20 126.72 3i1n s ILE 23 Ca -0.09 1.74 0.02 0.00 0.00 0.00 0.00 60.65 62.32 3i1n s ILE 23 Cb -0.13 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 3i1n s ILE 23 CO 0.03 0.22 0.00 -0.13 0.00 0.00 0.00 174.94 175.06 3i1n s ARG 24 N 0.32 1.13 -0.06 2.79 0.52 0.13 -2.21 118.95 121.58 3i1n s ARG 24 Ca 0.52 -1.55 0.03 0.00 -0.52 0.00 0.00 55.73 54.21 3i1n s ARG 24 Cb -0.27 -0.30 0.00 0.00 0.52 0.00 0.00 34.95 34.90 3i1n s ARG 24 CO 0.31 -0.13 -0.16 0.08 0.02 0.00 0.00 175.30 175.42 3i1n s VAL 25 N -3.63 1.42 -0.11 3.52 1.01 -0.70 -0.58 120.40 121.32 3i1n s VAL 25 Ca 0.24 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.57 3i1n s VAL 25 Cb 0.06 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 35.21 3i1n s VAL 25 CO 0.04 0.41 -0.13 -0.63 0.00 0.00 0.00 175.10 174.80 3i1n s ILE 26 N 0.37 1.36 -0.14 2.22 -1.09 -1.26 -2.74 121.20 119.92 3i1n s ILE 26 Ca -0.12 -0.54 -0.05 0.00 -2.23 0.00 0.00 60.65 57.71 3i1n s ILE 26 Cb -0.15 -1.28 -0.04 0.00 -1.58 0.00 0.00 42.46 39.42 3i1n s ILE 26 CO 0.04 0.42 0.05 0.00 -1.23 0.00 0.00 174.94 174.22 3i1n n SER 28 N 2.80 0.57 -0.10 0.00 3.41 -1.25 -4.38 113.62 114.67 3i1n n SER 28 Ca -0.18 -0.36 -0.16 0.00 -0.26 0.00 0.00 58.87 57.92 3i1n n SER 28 Cb 0.53 0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 64.50 3i1n n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i1n n ALA 29 N -1.23 1.63 -3.83 7.33 0.00 -1.26 -4.96 120.51 118.19 3i1n n ALA 29 Ca 0.08 -0.80 -0.30 0.00 0.00 0.00 0.00 53.44 52.43 3i1n n ALA 29 Cb 0.33 0.12 -0.15 0.00 0.00 0.00 0.00 19.45 19.75 3i1n n ALA 29 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3i1n s GLU 30 N -2.37 1.05 0.56 0.00 2.56 -1.26 -4.99 118.70 114.25 3i1n s GLU 30 Ca -0.26 -1.06 0.27 0.00 0.00 0.00 0.00 54.97 53.92 3i1n s GLU 30 Cb 0.08 -2.34 1.49 0.00 2.00 0.00 0.00 34.13 35.35 3i1n s GLU 30 CO 0.41 -0.82 1.99 -1.35 -0.56 0.00 0.00 175.26 174.92 3i1n h PRO 31 N 8.01 0.00 0.00 4.30 0.11 -1.93 0.34 132.00 142.83 3i1n h PRO 31 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3i1n h PRO 31 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3i1n h PRO 31 CO 0.44 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 179.10 3i1n h LYS 32 N 0.00 0.00 -0.00 1.05 1.57 -1.97 -2.93 116.57 114.29 3i1n h LYS 32 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3i1n h LYS 32 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 3i1n h LYS 32 CO -0.00 0.00 -0.12 0.72 -0.57 0.00 0.00 179.45 179.48 3i1n n HIS 33 N -2.60 0.00 -2.00 -1.35 8.25 0.12 -4.75 115.22 112.89 3i1n n HIS 33 Ca -0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 3i1n n HIS 33 Cb 0.17 -0.34 -0.02 0.00 1.12 0.00 0.00 29.99 30.91 3i1n n HIS 33 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3i1n s LYS 34 N -2.80 4.26 0.03 -0.41 2.20 -1.11 -4.76 119.74 117.15 3i1n s LYS 34 Ca 0.19 2.32 0.00 0.00 -0.36 0.00 0.00 55.97 58.12 3i1n s LYS 34 Cb 0.19 -3.11 -0.03 0.00 -1.51 0.00 0.00 37.83 33.38 3i1n s LYS 34 CO 0.54 -0.45 -0.04 -0.65 -0.36 0.00 0.00 175.35 174.39 3i1n s GLN 35 N -0.22 0.42 0.00 4.03 -0.21 -1.11 -1.94 119.66 120.64 3i1n s GLN 35 Ca 0.61 -0.77 0.00 0.00 0.02 0.00 0.00 55.36 55.21 3i1n s GLN 35 Cb -0.42 0.04 -0.00 0.00 1.00 0.00 0.00 33.01 33.63 3i1n s GLN 35 CO 0.42 -0.04 0.00 -2.13 -2.12 0.00 0.00 175.29 171.42 3i1n n ARG 36 N 1.25 1.51 -4.13 2.91 0.63 0.12 -1.72 116.66 117.22 3i1n n ARG 36 Ca -0.22 -0.03 -0.28 0.00 -0.92 0.00 0.00 57.85 56.40 3i1n n ARG 36 Cb 0.56 0.01 -0.06 0.00 0.45 0.00 0.00 32.46 33.43 3i1n n ARG 36 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3i1n n GLN 37 N -0.01 -2.07 0.00 -0.14 7.27 -1.20 -4.49 117.38 116.73 3i1n n GLN 37 Ca -0.00 0.25 0.07 0.00 0.07 0.00 0.00 57.00 57.39 3i1n n GLN 37 Cb 0.01 -4.03 0.42 0.00 2.41 0.00 0.00 30.24 29.05 3i1n n GLN 37 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54