#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s s GLY 2 N 0.00 3.08 0.00 3.41 0.00 -1.26 -4.96 107.32 107.59 3g4s s GLY 2 Ca 0.00 0.64 0.04 0.00 0.00 0.00 0.00 44.72 45.41 3g4s s GLY 2 CO 0.00 1.28 0.97 0.00 0.00 0.00 0.00 173.10 175.36 3g4s n ALA 3 N 1.74 1.37 -1.46 3.20 0.00 -1.26 -3.45 120.51 120.65 3g4s n ALA 3 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3g4s n ALA 3 Cb 0.47 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3g4s n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g4s n GLY 4 N -0.94 0.66 0.32 0.00 0.00 -1.26 -4.61 105.19 99.36 3g4s n GLY 4 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 3g4s n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3g4s h THR 5 N 0.00 0.63 0.00 2.61 2.02 -2.01 -2.12 112.91 114.04 3g4s h THR 5 Ca 0.00 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 3g4s h THR 5 Cb 0.00 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.41 3g4s h THR 5 CO 0.00 0.10 -0.28 1.55 0.37 0.00 0.00 175.52 177.27 3g4s h PRO 6 N 0.57 0.00 0.00 6.66 0.13 -1.91 -2.80 132.00 134.65 3g4s h PRO 6 Ca 0.53 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.66 3g4s h PRO 6 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3g4s h PRO 6 CO -0.43 0.28 0.00 0.43 -0.23 0.00 0.00 178.00 178.05 3g4s n SER 7 N -3.32 0.00 -0.02 1.44 7.64 -0.80 -2.81 113.62 115.74 3g4s n SER 7 Ca 0.01 0.45 0.15 0.00 1.01 0.00 0.00 58.87 60.49 3g4s n SER 7 Cb 0.52 -0.48 0.81 0.00 -1.01 0.00 0.00 64.21 64.04 3g4s n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g4s n GLN 8 N -1.48 0.70 0.09 1.43 1.13 -1.05 -3.41 117.38 114.79 3g4s n GLN 8 Ca 0.07 -0.05 -0.15 0.00 -1.94 0.00 0.00 57.00 54.93 3g4s n GLN 8 Cb 0.29 -1.50 -0.10 0.00 0.11 0.00 0.00 30.24 29.04 3g4s n GLN 8 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 3g4s h GLY 9 N 4.99 0.36 -0.88 1.08 0.00 -1.67 -3.26 103.07 103.69 3g4s h GLY 9 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 46.53 3g4s h GLY 9 CO 0.00 0.70 0.00 0.28 0.00 0.00 0.00 176.54 177.52 3g4s n LYS 10 N -3.61 0.89 -2.67 4.80 5.02 -1.22 -4.57 118.16 116.81 3g4s n LYS 10 Ca -0.08 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.79 3g4s n LYS 10 Cb 0.96 -1.39 0.01 0.00 -0.02 0.00 0.00 35.03 34.59 3g4s n LYS 10 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3g4s n LYS 11 N -0.01 4.71 -2.63 1.97 5.02 -1.23 -4.70 118.16 121.28 3g4s n LYS 11 Ca 0.00 -4.33 -0.23 0.00 -2.02 0.00 0.00 58.31 51.74 3g4s n LYS 11 Cb 0.20 -2.57 -0.00 0.00 -0.02 0.00 0.00 35.03 32.64 3g4s n LYS 11 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3g4s n ASN 12 N 1.24 3.79 -4.43 4.39 6.94 -1.26 -5.04 115.26 120.90 3g4s n ASN 12 Ca 0.39 -3.47 -0.28 0.00 -0.02 0.00 0.00 54.58 51.20 3g4s n ASN 12 Cb 0.30 -0.50 -0.12 0.00 -2.36 0.00 0.00 39.78 37.10 3g4s n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3g4s s THR 13 N -4.70 2.43 -0.19 5.53 2.01 -1.26 -5.12 115.64 114.34 3g4s s THR 13 Ca 0.43 -1.82 -0.03 0.00 0.31 0.00 0.00 61.69 60.58 3g4s s THR 13 Cb 0.39 -2.12 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 3g4s s THR 13 CO -0.13 0.00 -0.07 -0.89 -0.69 0.00 0.00 174.62 172.84 3g4s s THR 14 N -1.34 3.26 0.00 -0.82 2.01 -1.26 -4.97 115.64 112.52 3g4s s THR 14 Ca 0.18 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.63 3g4s s THR 14 Cb -0.09 -2.44 0.00 0.00 0.01 0.00 0.00 72.50 69.97 3g4s s THR 14 CO 0.09 0.46 0.00 0.35 -0.69 0.00 0.00 174.62 174.83 3g4s n THR 15 N 4.35 0.00 -2.76 -0.82 -2.24 -1.26 -4.78 114.28 106.77 3g4s n THR 15 Ca -0.18 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 3g4s n THR 15 Cb 0.51 -0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 67.98 3g4s n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3g4s s HIS 16 N -0.59 3.25 0.36 4.78 3.76 -1.26 -1.01 115.29 124.57 3g4s s HIS 16 Ca 0.00 1.19 0.07 0.00 -0.15 0.00 0.00 55.06 56.17 3g4s s HIS 16 Cb 0.00 -3.34 -0.07 0.00 1.11 0.00 0.00 32.58 30.28 3g4s s HIS 16 CO 0.00 -0.57 -0.02 0.95 -0.85 0.00 0.00 174.74 174.25 3g4s s THR 17 N 3.22 1.87 0.05 1.30 -4.23 0.18 -4.81 115.64 113.22 3g4s s THR 17 Ca 0.40 -2.07 -0.30 0.00 -1.18 0.00 0.00 61.69 58.54 3g4s s THR 17 Cb -0.14 -2.79 -0.08 0.00 1.34 0.00 0.00 72.50 70.83 3g4s s THR 17 CO 0.10 -0.10 1.77 -0.75 -0.54 0.00 0.00 174.62 175.10 3g4s s LYS 18 N -3.72 4.17 0.63 3.99 2.20 -1.26 -0.64 119.74 125.11 3g4s s LYS 18 Ca 0.34 2.43 -0.15 0.00 -0.36 0.00 0.00 55.97 58.22 3g4s s LYS 18 Cb 0.07 -3.81 -0.01 0.00 -1.51 0.00 0.00 37.83 32.56 3g4s s LYS 18 CO 0.16 -0.83 1.09 0.00 -0.36 0.00 0.00 175.35 175.41 3g4s h ARG 20 N 0.18 0.18 0.28 0.00 2.43 -1.92 -3.22 114.38 112.31 3g4s h ARG 20 Ca -0.47 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 58.38 3g4s h ARG 20 Cb 1.24 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 3g4s h ARG 20 CO 0.55 1.15 -0.14 -0.09 -1.51 0.00 0.00 179.97 179.94 3g4s h ARG 21 N -0.61 -0.36 0.00 0.20 2.43 -1.99 -3.41 114.38 110.65 3g4s h ARG 21 Ca -0.12 0.02 -0.39 0.00 -0.81 0.00 0.00 59.98 58.68 3g4s h ARG 21 Cb 1.42 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.99 3g4s h ARG 21 CO 0.08 -0.02 -2.47 0.00 -1.51 0.00 0.00 179.97 176.04 3g4s n GLY 23 N 2.19 1.05 3.91 0.00 0.00 -1.22 -5.01 105.19 106.12 3g4s n GLY 23 Ca -0.46 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 3g4s n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g4s s GLU 24 N -0.50 3.49 -0.71 1.61 0.41 -1.26 -4.66 118.70 117.08 3g4s s GLU 24 Ca 0.00 -0.31 -0.05 0.00 -0.41 0.00 0.00 54.97 54.20 3g4s s GLU 24 Cb 0.00 -3.01 -0.07 0.00 -1.78 0.00 0.00 34.13 29.26 3g4s s GLU 24 CO 0.00 0.60 2.13 1.17 -0.49 0.00 0.00 175.26 178.67 3g4s n LYS 25 N 0.44 1.86 0.00 1.61 4.81 -1.26 -2.09 118.16 123.53 3g4s n LYS 25 Ca -0.06 -1.25 0.00 0.00 -0.87 0.00 0.00 58.31 56.12 3g4s n LYS 25 Cb 0.52 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.27 3g4s n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3g4s n SER 26 N 3.88 1.50 -4.57 3.14 7.64 -1.03 -4.25 113.62 119.93 3g4s n SER 26 Ca 0.40 -1.73 -0.43 0.00 1.01 0.00 0.00 58.87 58.12 3g4s n SER 26 Cb 0.21 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.37 3g4s n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3g4s s TYR 27 N -0.73 2.96 -0.68 1.43 5.04 0.19 -1.14 117.35 124.42 3g4s s TYR 27 Ca 0.00 0.40 -0.27 0.00 -2.44 0.00 0.00 57.07 54.76 3g4s s TYR 27 Cb 0.00 -3.87 0.03 0.00 0.35 0.00 0.00 41.96 38.47 3g4s s TYR 27 CO 0.00 -1.04 1.28 -1.58 -1.34 0.00 0.00 175.55 172.87 3g4s s HIS 28 N 3.63 2.35 -0.86 4.97 5.65 -0.86 0.49 115.29 130.66 3g4s s HIS 28 Ca 0.36 0.14 0.10 0.00 0.25 0.00 0.00 55.06 55.90 3g4s s HIS 28 Cb -0.11 -4.57 0.43 0.00 -1.18 0.00 0.00 32.58 27.16 3g4s s HIS 28 CO 0.25 -1.94 1.30 -2.37 -0.65 0.00 0.00 174.74 171.32 3g4s n THR 29 N 6.52 1.44 -0.05 0.89 5.66 -0.18 0.19 114.28 128.75 3g4s n THR 29 Ca 0.06 0.42 -0.04 0.00 -3.05 0.00 0.00 64.05 61.43 3g4s n THR 29 Cb 0.49 -1.32 -0.14 0.00 -1.55 0.00 0.00 70.33 67.81 3g4s n THR 29 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3g4s n LYS 30 N -1.65 0.66 -0.00 1.09 5.02 -1.26 -4.34 118.16 117.67 3g4s n LYS 30 Ca 0.01 0.05 0.11 0.00 -2.02 0.00 0.00 58.31 56.45 3g4s n LYS 30 Cb 0.08 -1.62 -0.14 0.00 -0.02 0.00 0.00 35.03 33.34 3g4s n LYS 30 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3g4s n LYS 31 N -2.73 0.37 -2.02 1.97 5.02 -0.29 -4.98 118.16 115.50 3g4s n LYS 31 Ca -0.21 -0.11 -0.16 0.00 -2.02 0.00 0.00 58.31 55.81 3g4s n LYS 31 Cb 0.98 -1.52 -0.03 0.00 -0.02 0.00 0.00 35.03 34.44 3g4s n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3g4s n LYS 32 N -1.94 -1.71 -4.74 1.97 4.76 0.51 -4.95 118.16 112.06 3g4s n LYS 32 Ca -0.00 0.87 -0.25 0.00 -2.87 0.00 0.00 58.31 56.06 3g4s n LYS 32 Cb 0.47 -5.37 -0.16 0.00 -1.84 0.00 0.00 35.03 28.13 3g4s n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3g4s s VAL 33 N -2.64 1.30 0.01 -0.18 1.01 -1.20 -4.41 120.40 114.29 3g4s s VAL 33 Ca 0.00 -0.64 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 3g4s s VAL 33 Cb 0.00 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 3g4s s VAL 33 CO 0.00 0.38 0.64 0.00 0.00 0.00 0.00 175.10 176.12 3g4s n SER 35 N 2.71 0.51 -0.12 0.00 3.41 -0.29 -2.39 113.62 117.45 3g4s n SER 35 Ca -0.06 0.05 -0.21 0.00 -0.26 0.00 0.00 58.87 58.39 3g4s n SER 35 Cb 0.51 0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 64.42 3g4s n SER 35 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3g4s n SER 36 N -1.76 1.94 -0.01 4.04 2.88 -1.26 -4.75 113.62 114.70 3g4s n SER 36 Ca 0.05 0.35 0.10 0.00 -1.33 0.00 0.00 58.87 58.04 3g4s n SER 36 Cb 0.38 -0.80 -0.14 0.00 -0.75 0.00 0.00 64.21 62.90 3g4s n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3g4s n GLY 38 N 1.39 0.40 3.71 0.00 0.00 -1.00 -0.88 105.19 108.80 3g4s n GLY 38 Ca -0.01 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 3g4s n GLY 38 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3g4s s PHE 39 N -2.00 2.95 0.00 1.61 5.36 -1.26 -1.33 117.98 123.31 3g4s s PHE 39 Ca 0.00 0.66 0.00 0.00 -0.96 0.00 0.00 56.93 56.63 3g4s s PHE 39 Cb 0.00 -3.85 0.00 0.00 -0.34 0.00 0.00 43.02 38.83 3g4s s PHE 39 CO 0.00 -3.16 0.00 0.41 -1.46 0.00 0.00 175.22 171.01 3g4s n GLY 40 N 3.73 0.37 0.54 13.12 0.00 -1.26 -0.69 105.19 121.00 3g4s n GLY 40 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 3g4s n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3g4s n LYS 41 N -2.00 0.10 -4.29 1.61 4.81 -0.74 -4.80 118.16 112.85 3g4s n LYS 41 Ca 0.00 0.04 -0.21 0.00 -0.87 0.00 0.00 58.31 57.27 3g4s n LYS 41 Cb 0.00 -0.82 -0.11 0.00 0.02 0.00 0.00 35.03 34.11 3g4s n LYS 41 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3g4s s SER 42 N -5.02 2.41 0.25 3.14 1.04 -0.44 -5.00 113.70 110.07 3g4s s SER 42 Ca -0.06 -0.82 0.12 0.00 0.48 0.00 0.00 55.95 55.67 3g4s s SER 42 Cb 0.02 -0.12 0.15 0.00 0.10 0.00 0.00 66.02 66.17 3g4s s SER 42 CO 0.09 -0.07 1.48 0.00 0.98 0.00 0.00 173.24 175.72 3g4s h ALA 43 N 3.43 0.68 -4.92 5.32 0.00 -1.98 -3.42 119.26 118.37 3g4s h ALA 43 Ca -0.42 -0.60 -0.42 0.00 0.00 0.00 0.00 54.91 53.48 3g4s h ALA 43 Cb 1.20 -0.11 0.10 0.00 0.00 0.00 0.00 17.79 18.99 3g4s h ALA 43 CO 0.50 0.82 0.19 1.63 0.00 0.00 0.00 179.25 182.39 3g4s n LYS 44 N -3.42 -0.41 -3.88 0.00 5.02 -1.26 -5.09 118.16 109.13 3g4s n LYS 44 Ca 0.00 -2.33 -0.37 0.00 -2.02 0.00 0.00 58.31 53.60 3g4s n LYS 44 Cb 0.74 -0.81 -0.07 0.00 -0.02 0.00 0.00 35.03 34.87 3g4s n LYS 44 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3g4s s ARG 45 N -5.14 3.56 -0.51 1.97 1.81 -1.26 -4.82 118.95 114.55 3g4s s ARG 45 Ca 0.64 -0.16 -0.28 0.00 -1.72 0.00 0.00 55.73 54.21 3g4s s ARG 45 Cb -0.03 -3.21 0.01 0.00 -0.45 0.00 0.00 34.95 31.27 3g4s s ARG 45 CO 0.43 0.69 1.43 0.50 -0.68 0.00 0.00 175.30 177.67 3g4s s ARG 46 N -0.77 3.37 0.07 3.54 3.52 -0.06 -4.96 118.95 123.67 3g4s s ARG 46 Ca 0.14 0.64 0.04 0.00 -0.13 0.00 0.00 55.73 56.42 3g4s s ARG 46 Cb -0.12 -4.10 -0.03 0.00 -1.56 0.00 0.00 34.95 29.14 3g4s s ARG 46 CO 0.03 -1.84 -0.12 0.34 -0.81 0.00 0.00 175.30 172.90 3g4s s ASP 47 N 4.40 1.48 -0.04 -2.12 -1.08 -1.26 -4.69 116.67 113.37 3g4s s ASP 47 Ca 0.56 -0.66 -0.06 0.00 -0.52 0.00 0.00 52.55 51.87 3g4s s ASP 47 Cb -0.12 -0.02 0.01 0.00 -1.46 0.00 0.00 42.92 41.33 3g4s s ASP 47 CO 0.28 -0.15 0.16 -0.31 0.52 0.00 0.00 175.17 175.66 3g4s s TYR 48 N -1.63 -0.10 0.04 -5.34 1.51 -1.26 -5.05 117.35 105.53 3g4s s TYR 48 Ca -0.01 0.23 0.33 0.00 -1.01 0.00 0.00 57.07 56.60 3g4s s TYR 48 Cb -0.08 0.02 1.38 0.00 -0.11 0.00 0.00 41.96 43.17 3g4s s TYR 48 CO 0.01 -0.16 1.97 0.93 -1.11 0.00 0.00 175.55 177.19 3g4s h GLU 49 N 5.28 0.00 -0.08 -0.62 4.39 -2.02 -2.51 114.58 119.01 3g4s h GLU 49 Ca -0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.43 3g4s h GLU 49 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 3g4s h GLU 49 CO 0.40 0.00 0.00 -2.67 -1.16 0.00 0.00 179.01 175.58 3g4s n TRP 50 N -2.94 0.10 1.94 4.33 4.27 -1.26 -3.42 117.44 120.46 3g4s n TRP 50 Ca 0.01 -0.05 0.15 0.00 -3.89 0.00 0.00 57.50 53.71 3g4s n TRP 50 Cb 0.27 0.00 0.89 0.00 -1.36 0.00 0.00 31.31 31.11 3g4s n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 3g4s n GLN 51 N -0.11 0.97 -3.76 -2.67 6.02 -0.95 -4.70 117.38 112.19 3g4s n GLN 51 Ca 0.17 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 57.02 3g4s n GLN 51 Cb 0.24 -1.48 -0.09 0.00 1.02 0.00 0.00 30.24 29.93 3g4s n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3g4s s SER 52 N -1.97 -0.27 0.10 1.08 1.04 -1.22 -5.10 113.70 107.36 3g4s s SER 52 Ca 0.45 0.35 -0.34 0.00 0.48 0.00 0.00 55.95 56.89 3g4s s SER 52 Cb 0.21 0.48 -0.14 0.00 0.10 0.00 0.00 66.02 66.67 3g4s s SER 52 CO 0.35 -0.31 1.63 0.29 0.98 0.00 0.00 173.24 176.19 3g4s n LYS 53 N 1.98 2.10 0.00 4.02 4.76 -1.26 -4.87 118.16 124.88 3g4s n LYS 53 Ca -0.18 0.76 0.00 0.00 -2.87 0.00 0.00 58.31 56.02 3g4s n LYS 53 Cb 0.57 -2.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.22 3g4s n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3g4s n ALA 54 N 4.10 0.00 -0.45 7.82 0.00 -1.26 -0.71 120.51 130.00 3g4s n ALA 54 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.49 3g4s n ALA 54 Cb 0.28 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.80 3g4s n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g4s n GLY 55 N -0.94 3.62 0.00 0.00 0.00 -1.26 -5.12 105.19 101.49 3g4s n GLY 55 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3g4s n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11