#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1s n LYS 4 N 0.00 -1.36 -3.38 9.51 0.00 -1.26 -5.04 118.16 116.63 3i1s n LYS 4 Ca 0.00 0.96 -0.14 0.00 -0.00 0.00 0.00 58.31 59.13 3i1s n LYS 4 Cb 0.00 -1.43 -0.09 0.00 -0.00 0.00 0.00 35.03 33.51 3i1s n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3i1s s VAL 5 N -0.53 -0.48 -0.07 0.58 1.01 -1.26 -5.06 120.40 114.59 3i1s s VAL 5 Ca 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 3i1s s VAL 5 Cb 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 3i1s s VAL 5 CO 0.00 -0.33 -0.09 0.54 0.00 0.00 0.00 175.10 175.22 3i1s n ARG 6 N 5.33 0.23 -3.06 2.72 1.74 -1.26 -5.06 116.66 117.30 3i1s n ARG 6 Ca -0.02 0.38 -0.00 0.00 -0.77 0.00 0.00 57.85 57.44 3i1s n ARG 6 Cb 0.48 -1.22 -0.00 0.00 -1.02 0.00 0.00 32.46 30.70 3i1s n ARG 6 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3i1s n GLU 7 N -3.45 -1.28 0.00 5.56 1.02 -1.26 -5.00 120.64 116.24 3i1s n GLU 7 Ca -0.04 1.35 0.00 0.00 -0.02 0.00 0.00 57.16 58.46 3i1s n GLU 7 Cb 0.14 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 3i1s n GLU 7 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3i1s n ASN 8 N 1.58 0.00 -1.43 1.62 5.15 -1.26 -4.96 115.26 115.96 3i1s n ASN 8 Ca -0.03 0.00 0.19 0.00 -0.60 0.00 0.00 54.58 54.14 3i1s n ASN 8 Cb 0.31 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.50 3i1s n ASN 8 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3i1s n GLU 9 N 0.00 -2.95 -3.26 1.20 4.71 -1.26 -4.74 120.64 114.34 3i1s n GLU 9 Ca 0.00 2.06 -0.40 0.00 -0.01 0.00 0.00 57.16 58.81 3i1s n GLU 9 Cb 0.00 -3.57 -0.08 0.00 -1.01 0.00 0.00 31.44 26.78 3i1s n GLU 9 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 3i1s s PRO 10 N -2.64 4.08 0.00 3.49 0.04 -1.26 -5.03 135.00 133.68 3i1s s PRO 10 Ca 0.00 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.34 3i1s s PRO 10 Cb 0.00 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.90 3i1s s PRO 10 CO 0.00 -0.31 0.00 1.97 0.04 0.00 0.00 177.00 178.70 3i1s n PHE 11 N 5.41 0.00 -2.76 0.56 1.16 -1.26 -5.11 117.46 115.46 3i1s n PHE 11 Ca -0.05 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.44 3i1s n PHE 11 Cb 0.50 0.00 0.07 0.00 -1.61 0.00 0.00 39.48 38.44 3i1s n PHE 11 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 3i1s n ASP 12 N 0.00 -0.73 -4.45 5.98 2.03 -1.26 -5.08 116.55 113.04 3i1s n ASP 12 Ca 0.00 -2.85 -0.43 0.00 0.52 0.00 0.00 54.79 52.03 3i1s n ASP 12 Cb 0.00 0.57 -0.10 0.00 -0.72 0.00 0.00 41.12 40.87 3i1s n ASP 12 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3i1s s VAL 13 N -1.03 5.20 0.00 5.18 0.11 -1.26 -5.02 120.40 123.59 3i1s s VAL 13 Ca 0.26 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.61 3i1s s VAL 13 Cb 0.39 -3.91 0.00 0.00 -1.53 0.00 0.00 36.38 31.33 3i1s s VAL 13 CO -0.05 -0.32 0.24 0.00 -3.33 0.00 0.00 175.10 171.64 3i1s n ALA 14 N 5.15 0.00 -2.17 1.54 0.00 -1.26 -4.98 120.51 118.78 3i1s n ALA 14 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3i1s n ALA 14 Cb 0.47 0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3i1s n ALA 14 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3i1s n LEU 15 N -0.38 -6.13 -3.47 0.00 -0.00 -1.26 -5.02 117.00 100.74 3i1s n LEU 15 Ca 0.00 2.64 -0.29 0.00 -0.00 0.00 0.00 56.01 58.36 3i1s n LEU 15 Cb 0.00 -3.03 -0.12 0.00 -0.00 0.00 0.00 43.42 40.27 3i1s n LEU 15 CO 0.00 -2.49 -0.32 -0.60 -0.00 0.00 0.00 177.39 173.98 3i1s s ARG 16 N -0.78 0.52 -0.07 1.47 6.06 -1.26 -4.96 118.95 119.94 3i1s s ARG 16 Ca 0.00 -1.28 -0.25 0.00 -2.50 0.00 0.00 55.73 51.70 3i1s s ARG 16 Cb 0.00 -1.29 -0.25 0.00 0.06 0.00 0.00 34.95 33.47 3i1s s ARG 16 CO 0.00 -1.20 0.96 0.00 -2.50 0.00 0.00 175.30 172.56 3i1s h ARG 17 N 7.09 0.15 -0.90 5.12 -0.00 -1.98 -3.35 114.38 120.51 3i1s h ARG 17 Ca 0.05 -0.18 0.29 0.00 -0.50 0.00 0.00 59.98 59.63 3i1s h ARG 17 Cb 0.97 0.06 -0.17 0.00 0.00 0.00 0.00 29.97 30.83 3i1s h ARG 17 CO 0.27 0.97 0.16 1.19 0.00 0.00 0.00 179.97 182.57 3i1s n PHE 18 N -4.48 0.72 0.00 3.04 0.99 -1.26 0.21 117.46 116.68 3i1s n PHE 18 Ca -0.10 1.08 -0.12 0.00 -0.00 0.00 0.00 57.45 58.31 3i1s n PHE 18 Cb 0.54 -1.27 -0.06 0.00 -1.00 0.00 0.00 39.48 37.69 3i1s n PHE 18 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 3i1s h LYS 19 N 0.00 -0.46 0.00 -1.08 1.79 -1.95 0.42 116.57 115.30 3i1s h LYS 19 Ca 0.61 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.12 3i1s h LYS 19 Cb 1.40 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 32.16 3i1s h LYS 19 CO -0.80 -0.30 0.00 0.54 -1.08 0.00 0.00 179.45 177.80 3i1s n ARG 20 N -5.43 0.74 0.00 3.15 5.12 0.57 -2.77 116.66 118.05 3i1s n ARG 20 Ca -0.04 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.89 3i1s n ARG 20 Cb 0.36 -1.23 -0.00 0.00 -1.16 0.00 0.00 32.46 30.42 3i1s n ARG 20 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3i1s n SER 21 N -0.73 0.43 0.00 0.55 2.88 0.11 -5.06 113.62 111.80 3i1s n SER 21 Ca 0.08 -0.72 0.00 0.00 -1.33 0.00 0.00 58.87 56.91 3i1s n SER 21 Cb 0.04 0.63 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 3i1s n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1s n GLU 23 N 0.00 0.00 0.00 0.00 1.02 -1.26 -4.41 120.64 115.99 3i1s n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i1s n GLU 23 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3i1s n GLU 23 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3i1s n LYS 24 N 0.00 0.00 0.31 3.49 3.00 -1.26 -0.18 118.16 123.52 3i1s n LYS 24 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.44 3i1s n LYS 24 Cb 0.00 0.00 0.64 0.00 0.00 0.00 0.00 35.03 35.67 3i1s n LYS 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i1s h ALA 25 N -0.77 1.55 -1.72 3.14 0.00 -1.89 -2.73 119.26 116.83 3i1s h ALA 25 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i1s h ALA 25 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i1s h ALA 25 CO 0.00 -0.51 0.00 0.41 0.00 0.00 0.00 179.25 179.15 3i1s n GLY 26 N -1.30 0.00 1.46 0.00 0.00 0.74 -0.49 105.19 105.60 3i1s n GLY 26 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 3i1s n GLY 26 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i1s n VAL 27 N 0.00 1.84 -0.04 1.61 0.31 -1.21 -3.51 118.33 117.33 3i1s n VAL 27 Ca 0.00 -0.90 -0.05 0.00 -0.01 0.00 0.00 64.34 63.38 3i1s n VAL 27 Cb 0.00 -0.54 -0.02 0.00 -0.91 0.00 0.00 33.84 32.38 3i1s n VAL 27 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3i1s n LEU 28 N -0.01 1.12 0.19 7.52 0.00 -0.93 -3.93 117.00 120.95 3i1s n LEU 28 Ca 0.24 0.18 0.07 0.00 0.00 0.00 0.00 56.01 56.50 3i1s n LEU 28 Cb 0.95 -0.58 0.58 0.00 0.00 0.00 0.00 43.42 44.37 3i1s n LEU 28 CO 0.25 -0.41 1.08 0.00 0.00 0.00 0.00 177.39 178.32 3i1s h ALA 29 N -1.16 1.91 0.06 1.96 0.00 -0.95 -1.42 119.26 119.65 3i1s h ALA 29 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3i1s h ALA 29 Cb 0.52 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3i1s h ALA 29 CO 0.00 0.08 -0.49 0.93 0.00 0.00 0.00 179.25 179.77 3i1s h GLU 30 N 0.15 -0.65 0.00 0.00 5.08 -1.59 -3.38 114.58 114.18 3i1s h GLU 30 Ca 0.04 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3i1s h GLU 30 Cb 0.00 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3i1s h GLU 30 CO -0.01 -0.44 0.00 0.28 -1.00 0.00 0.00 179.01 177.85 3i1s n VAL 31 N -5.47 0.00 0.00 3.13 0.31 -0.59 -4.55 118.33 111.16 3i1s n VAL 31 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3i1s n VAL 31 Cb 0.40 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 3i1s n VAL 31 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i1s n ARG 32 N 0.00 0.00 -3.62 5.55 0.00 -0.85 -4.45 116.66 113.30 3i1s n ARG 32 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.49 3i1s n ARG 32 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.39 3i1s n ARG 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3i1s s ARG 33 N 0.00 4.17 0.24 -0.14 3.52 -1.26 -5.04 118.95 120.44 3i1s s ARG 33 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.59 3i1s s ARG 33 Cb 0.00 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 3i1s s ARG 33 CO 0.00 0.31 0.00 -2.13 -0.81 0.00 0.00 175.30 172.67 3i1s n ARG 34 N 3.40 -1.45 -0.43 5.12 0.63 -1.26 -4.95 116.66 117.72 3i1s n ARG 34 Ca -0.14 1.15 -0.29 0.00 -0.92 0.00 0.00 57.85 57.66 3i1s n ARG 34 Cb 0.52 -1.85 0.27 0.00 0.45 0.00 0.00 32.46 31.85 3i1s n ARG 34 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3i1s n GLU 35 N -2.90 -3.06 0.05 -0.14 4.07 -1.26 -5.02 120.64 112.38 3i1s n GLU 35 Ca -0.02 -0.88 0.00 0.00 -0.06 0.00 0.00 57.16 56.20 3i1s n GLU 35 Cb 0.23 -2.06 0.00 0.00 -0.06 0.00 0.00 31.44 29.55 3i1s n GLU 35 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3i1s n PHE 36 N -5.18 -0.97 0.00 4.31 0.99 -1.26 -5.06 117.46 110.29 3i1s n PHE 36 Ca 0.04 0.17 0.00 0.00 -0.00 0.00 0.00 57.45 57.66 3i1s n PHE 36 Cb 0.56 0.61 0.00 0.00 -1.00 0.00 0.00 39.48 39.65 3i1s n PHE 36 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74 3i1s n TYR 37 N -2.79 0.00 -2.57 1.38 -0.00 -1.26 -2.72 117.16 109.20 3i1s n TYR 37 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.79 3i1s n TYR 37 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 39.34 39.37 3i1s n TYR 37 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 3i1s n GLU 38 N 0.00 2.22 -0.02 2.98 -0.58 -1.26 -4.59 120.64 119.39 3i1s n GLU 38 Ca 0.00 -3.72 -0.00 0.00 -0.42 0.00 0.00 57.16 53.02 3i1s n GLU 38 Cb 0.00 -1.75 -0.05 0.00 -0.57 0.00 0.00 31.44 29.07 3i1s n GLU 38 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3i1s n LYS 39 N -0.47 1.80 0.13 3.49 4.81 -1.10 -4.56 118.16 122.26 3i1s n LYS 39 Ca 0.20 -0.03 0.12 0.00 -0.87 0.00 0.00 58.31 57.73 3i1s n LYS 39 Cb 0.82 -1.17 0.12 0.00 0.02 0.00 0.00 35.03 34.82 3i1s n LYS 39 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3i1s h PRO 40 N 0.00 0.00 0.27 1.64 0.13 -1.82 -2.81 132.00 129.41 3i1s h PRO 40 Ca -0.10 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 3i1s h PRO 40 Cb 0.95 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.06 3i1s h PRO 40 CO 0.01 0.00 -0.32 1.15 -0.23 0.00 0.00 178.00 178.60 3i1s h THR 41 N 0.00 0.00 -0.36 1.56 2.02 -1.81 0.23 112.91 114.56 3i1s h THR 41 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3i1s h THR 41 Cb 0.93 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3i1s h THR 41 CO 0.00 0.00 0.22 0.71 0.37 0.00 0.00 175.52 176.82 3i1s h THR 42 N -0.60 1.10 0.48 3.16 1.35 -1.81 -0.02 112.91 116.57 3i1s h THR 42 Ca -0.03 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.59 3i1s h THR 42 Cb 0.53 0.60 -0.02 0.00 -1.73 0.00 0.00 68.15 67.53 3i1s h THR 42 CO -0.07 0.10 -0.50 -0.08 -0.25 0.00 0.00 175.52 174.72 3i1s h GLU 43 N 0.49 -0.95 0.00 4.72 4.57 -1.10 0.41 114.58 122.72 3i1s h GLU 43 Ca 0.13 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 3i1s h GLU 43 Cb -0.02 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 3i1s h GLU 43 CO -0.03 -0.64 -0.19 -2.13 -1.18 0.00 0.00 179.01 174.84 3i1s n ARG 44 N -5.56 0.24 0.11 1.92 3.00 0.75 -2.15 116.66 114.98 3i1s n ARG 44 Ca -0.12 0.16 0.12 0.00 -0.00 0.00 0.00 57.85 58.00 3i1s n ARG 44 Cb 0.46 -1.74 0.01 0.00 0.00 0.00 0.00 32.46 31.19 3i1s n ARG 44 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 3i1s h LYS 45 N 0.00 0.00 0.00 -0.14 3.64 -0.74 -3.06 116.57 116.27 3i1s h LYS 45 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i1s h LYS 45 Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 3i1s h LYS 45 CO 0.00 0.00 -0.64 0.00 -2.27 0.00 0.00 179.45 176.54 3i1s h ARG 46 N 0.00 0.00 0.00 1.90 2.47 -0.15 -3.01 114.38 115.59 3i1s h ARG 46 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3i1s h ARG 46 Cb 1.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.32 3i1s h ARG 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.53 3i1s n ALA 47 N -1.90 2.15 0.03 0.04 0.00 -0.92 -2.65 120.51 117.25 3i1s n ALA 47 Ca 0.03 -0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.24 3i1s n ALA 47 Cb 0.46 -1.36 -0.09 0.00 0.00 0.00 0.00 19.45 18.47 3i1s n ALA 47 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i1s h LYS 48 N 0.00 -0.11 -0.33 0.00 3.64 -1.46 -3.02 116.57 115.29 3i1s h LYS 48 Ca 0.00 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 3i1s h LYS 48 Cb 0.19 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3i1s h LYS 48 CO 0.00 0.36 0.78 0.00 -2.27 0.00 0.00 179.45 178.32 3i1s h ALA 49 N 0.17 2.09 0.00 5.00 0.00 -1.68 -1.01 119.26 123.82 3i1s h ALA 49 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3i1s h ALA 49 Cb 0.52 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3i1s h ALA 49 CO 0.02 -0.95 -0.33 0.77 0.00 0.00 0.00 179.25 178.76 3i1s h SER 50 N 0.00 0.00 0.00 0.00 0.02 -1.67 -3.36 113.55 108.54 3i1s h SER 50 Ca 0.16 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3i1s h SER 50 Cb 1.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.25 3i1s h SER 50 CO -0.00 0.74 0.00 0.00 -1.14 0.00 0.00 176.83 176.43 3i1s n ALA 51 N -3.18 1.95 0.20 3.77 0.00 -0.42 -3.33 120.51 119.49 3i1s n ALA 51 Ca -0.07 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.44 3i1s n ALA 51 Cb 0.21 -1.00 0.38 0.00 0.00 0.00 0.00 19.45 19.04 3i1s n ALA 51 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3i1s h VAL 52 N 0.00 0.77 0.00 0.00 3.04 -1.63 -3.50 116.25 114.93 3i1s h VAL 52 Ca 0.00 -1.37 0.00 0.00 -1.01 0.00 0.00 66.70 64.32 3i1s h VAL 52 Cb 0.13 1.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 3i1s h VAL 52 CO 0.00 0.31 0.00 1.17 -1.01 0.00 0.00 177.57 178.04