#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4s s SER 2 N 0.00 -0.55 -0.12 1.61 1.04 -1.26 -5.17 113.70 109.25 1x4s s SER 2 Ca 0.00 1.05 -0.15 0.00 0.48 0.00 0.00 55.95 57.34 1x4s s SER 2 Cb 0.00 1.07 0.04 0.00 0.10 0.00 0.00 66.02 67.22 1x4s s SER 2 CO 0.00 -0.18 0.40 -0.44 0.98 0.00 0.00 173.24 174.00 1x4s s SER 3 N 0.29 -0.39 0.00 7.02 0.01 -1.26 -4.99 113.70 114.38 1x4s s SER 3 Ca -0.00 0.67 0.00 0.00 1.31 0.00 0.00 55.95 57.93 1x4s s SER 3 Cb -0.04 0.72 0.00 0.00 0.21 0.00 0.00 66.02 66.91 1x4s s SER 3 CO 0.01 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.05 1x4s n GLY 4 N 2.49 2.35 3.67 3.44 0.00 -1.26 -5.08 105.19 110.81 1x4s n GLY 4 Ca -0.15 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 1x4s n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x4s n SER 5 N 0.07 0.68 -1.77 1.61 2.88 -1.26 -4.87 113.62 110.96 1x4s n SER 5 Ca 0.00 0.52 -0.12 0.00 -1.33 0.00 0.00 58.87 57.95 1x4s n SER 5 Cb 0.00 -1.49 0.03 0.00 -0.75 0.00 0.00 64.21 62.00 1x4s n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x4s n SER 6 N -3.53 6.06 -0.91 -3.46 7.64 -1.26 -4.82 113.62 113.34 1x4s n SER 6 Ca 0.13 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 57.14 1x4s n SER 6 Cb 0.51 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1x4s n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4s n GLY 7 N 0.66 -1.79 2.26 0.23 0.00 -1.26 -4.94 105.19 100.35 1x4s n GLY 7 Ca 0.21 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 1x4s n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x4s n MET 8 N 0.50 2.54 -1.42 1.61 0.00 -1.26 -5.02 117.12 114.08 1x4s n MET 8 Ca 0.00 -3.04 -0.48 0.00 0.00 0.00 0.00 57.70 54.18 1x4s n MET 8 Cb 0.00 -2.19 -0.03 0.00 0.00 0.00 0.00 33.22 31.00 1x4s n MET 8 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1x4s n GLU 9 N -0.76 0.13 -1.41 0.03 2.13 -1.26 -4.90 120.64 114.60 1x4s n GLU 9 Ca 0.58 0.05 -0.32 0.00 0.66 0.00 0.00 57.16 58.13 1x4s n GLU 9 Cb 0.71 -1.10 0.08 0.00 0.27 0.00 0.00 31.44 31.39 1x4s n GLU 9 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1x4s s PRO 10 N -1.01 2.42 0.86 5.31 0.04 -1.26 -5.02 135.00 136.33 1x4s s PRO 10 Ca 0.65 1.24 -0.11 0.00 0.04 0.00 0.00 61.00 62.81 1x4s s PRO 10 Cb -0.92 -1.91 0.11 0.00 0.04 0.00 0.00 34.50 31.81 1x4s s PRO 10 CO 0.56 -1.53 1.09 0.00 0.04 0.00 0.00 177.00 177.17 1x4s s ALA 11 N -2.73 1.76 0.22 8.56 0.00 -1.26 -5.05 121.76 123.25 1x4s s ALA 11 Ca 0.63 0.05 0.10 0.00 0.00 0.00 0.00 51.96 52.74 1x4s s ALA 11 Cb -0.18 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1x4s s ALA 11 CO 0.52 -2.18 -0.14 0.20 0.00 0.00 0.00 175.76 174.15 1x4s s GLY 12 N -3.40 1.74 -0.30 0.00 0.00 -1.22 -4.92 107.32 99.22 1x4s s GLY 12 Ca 0.63 -1.63 -0.29 0.00 0.00 0.00 0.00 44.72 43.43 1x4s s GLY 12 CO 0.57 -1.67 1.66 2.56 0.00 0.00 0.00 173.10 176.22 1x4s s PRO 13 N -3.03 3.55 -0.47 2.90 0.04 -1.26 0.94 135.00 137.67 1x4s s PRO 13 Ca 0.26 1.43 -0.27 0.00 0.04 0.00 0.00 61.00 62.46 1x4s s PRO 13 Cb -0.07 -4.11 -0.05 0.00 0.04 0.00 0.00 34.50 30.31 1x4s s PRO 13 CO 0.14 -1.59 2.17 0.00 0.04 0.00 0.00 177.00 177.76 1x4s h GLY 15 N 17.52 0.44 -0.85 0.00 0.00 -1.87 -3.28 103.07 115.03 1x4s h GLY 15 Ca -0.28 -0.77 0.33 0.00 0.00 0.00 0.00 47.33 46.60 1x4s h GLY 15 CO 1.13 0.68 0.51 0.69 0.00 0.00 0.00 176.54 179.55 1x4s n PHE 16 N -4.23 0.70 -1.32 5.60 3.72 -1.26 -4.38 117.46 116.29 1x4s n PHE 16 Ca -0.10 0.71 -0.34 0.00 -0.05 0.00 0.00 57.45 57.67 1x4s n PHE 16 Cb 0.66 -1.13 0.10 0.00 -0.94 0.00 0.00 39.48 38.18 1x4s n PHE 16 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x4s s PRO 18 N -4.01 4.34 0.02 0.00 0.04 -1.26 -4.88 135.00 129.26 1x4s s PRO 18 Ca 0.74 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 63.66 1x4s s PRO 18 Cb -0.29 -3.25 -0.08 0.00 0.04 0.00 0.00 34.50 30.92 1x4s s PRO 18 CO 0.47 -0.39 0.38 0.00 0.04 0.00 0.00 177.00 177.51 1x4s n ALA 19 N 3.74 -1.82 0.00 8.56 0.00 -1.26 -0.33 120.51 129.40 1x4s n ALA 19 Ca 0.10 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1x4s n ALA 19 Cb 0.43 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1x4s n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4s n GLY 20 N 0.69 2.59 1.92 0.00 0.00 -1.26 -4.82 105.19 104.31 1x4s n GLY 20 Ca 0.08 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 1x4s n GLY 20 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x4s n GLU 21 N 0.00 1.73 -2.26 1.61 -0.58 0.55 -4.93 120.64 116.77 1x4s n GLU 21 Ca 0.00 -1.21 -0.42 0.00 -0.42 0.00 0.00 57.16 55.11 1x4s n GLU 21 Cb 0.00 -1.61 -0.03 0.00 -0.57 0.00 0.00 31.44 29.23 1x4s n GLU 21 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1x4s s VAL 22 N -1.15 3.91 0.22 2.62 1.01 -1.26 -4.58 120.40 121.16 1x4s s VAL 22 Ca 0.34 1.20 0.10 0.00 0.00 0.00 0.00 61.98 63.62 1x4s s VAL 22 Cb 0.22 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1x4s s VAL 22 CO -0.04 -0.05 -0.14 -1.10 0.00 0.00 0.00 175.10 173.76 1x4s s GLN 23 N 3.02 1.87 -0.51 2.72 -0.21 -1.26 -4.93 119.66 120.36 1x4s s GLN 23 Ca 0.62 -1.47 -0.27 0.00 0.02 0.00 0.00 55.36 54.26 1x4s s GLN 23 Cb -0.28 -1.99 -0.02 0.00 1.00 0.00 0.00 33.01 31.72 1x4s s GLN 23 CO 0.23 0.39 1.80 -1.25 -2.12 0.00 0.00 175.29 174.35 1x4s s PRO 24 N -3.07 2.91 -1.20 2.91 0.04 -1.26 -0.32 135.00 135.02 1x4s s PRO 24 Ca 0.26 0.87 -0.15 0.00 0.04 0.00 0.00 61.00 62.01 1x4s s PRO 24 Cb -0.07 -4.30 -0.05 0.00 0.04 0.00 0.00 34.50 30.12 1x4s s PRO 24 CO 0.14 -2.38 2.20 0.00 0.04 0.00 0.00 177.00 177.01 1x4s n ALA 25 N 11.70 4.97 0.29 8.56 0.00 0.27 -4.46 120.51 141.84 1x4s n ALA 25 Ca 0.21 -3.47 0.16 0.00 0.00 0.00 0.00 53.44 50.33 1x4s n ALA 25 Cb 0.50 -3.50 0.92 0.00 0.00 0.00 0.00 19.45 17.37 1x4s n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x4s h ARG 26 N 6.54 0.00 -6.28 0.00 3.08 -1.79 -3.23 114.38 112.70 1x4s h ARG 26 Ca 0.55 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 60.14 1x4s h ARG 26 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1x4s h ARG 26 CO 1.86 0.00 -0.36 0.71 -1.07 0.00 0.00 179.97 181.11 1x4s s TYR 27 N -4.62 2.89 -0.12 3.04 2.02 -1.22 -4.92 117.35 114.43 1x4s s TYR 27 Ca -0.05 -0.35 -0.15 0.00 -0.37 0.00 0.00 57.07 56.16 1x4s s TYR 27 Cb 0.15 -2.06 0.04 0.00 -0.40 0.00 0.00 41.96 39.69 1x4s s TYR 27 CO 0.54 -0.07 0.40 0.99 -1.57 0.00 0.00 175.55 175.84 1x4s s THR 28 N -2.32 0.01 -0.13 -0.71 2.01 -1.26 -1.57 115.64 111.68 1x4s s THR 28 Ca 0.47 -0.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.08 1x4s s THR 28 Cb -0.07 -0.59 -0.05 0.00 0.01 0.00 0.00 72.50 71.80 1x4s s THR 28 CO 0.29 -0.05 1.82 0.00 -0.69 0.00 0.00 174.62 176.00 1x4s n PRO 30 N 7.76 0.49 -0.06 0.00 -0.04 -1.26 0.18 135.00 142.06 1x4s n PRO 30 Ca 0.21 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.59 1x4s n PRO 30 Cb 0.44 -1.21 -0.07 0.00 -0.04 0.00 0.00 33.50 32.62 1x4s n PRO 30 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x4s n ARG 31 N -0.71 0.97 -0.71 0.54 5.12 -1.26 -4.73 116.66 115.88 1x4s n ARG 31 Ca 0.05 0.05 0.04 0.00 -1.93 0.00 0.00 57.85 56.06 1x4s n ARG 31 Cb 0.02 -1.27 0.05 0.00 -1.16 0.00 0.00 32.46 30.10 1x4s n ARG 31 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x4s n ASN 33 N -0.25 -1.38 -4.39 0.00 4.13 0.48 -4.88 115.26 108.97 1x4s n ASN 33 Ca 0.07 -1.12 -0.38 0.00 1.68 0.00 0.00 54.58 54.82 1x4s n ASN 33 Cb 0.81 -1.37 -0.12 0.00 -1.54 0.00 0.00 39.78 37.56 1x4s n ASN 33 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x4s s ALA 34 N -3.96 3.19 -0.10 5.41 0.00 -1.18 -4.74 121.76 120.38 1x4s s ALA 34 Ca 0.22 -1.43 -0.29 0.00 0.00 0.00 0.00 51.96 50.45 1x4s s ALA 34 Cb -0.12 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 20.67 1x4s s ALA 34 CO 0.86 -0.94 1.53 -1.25 0.00 0.00 0.00 175.76 175.95 1x4s s PRO 35 N 1.56 4.17 0.08 0.00 0.04 -1.26 0.03 135.00 139.63 1x4s s PRO 35 Ca 0.04 1.99 0.07 0.00 0.04 0.00 0.00 61.00 63.14 1x4s s PRO 35 Cb -0.17 -3.92 -0.03 0.00 0.04 0.00 0.00 34.50 30.42 1x4s s PRO 35 CO 0.05 -0.83 -0.19 1.52 0.04 0.00 0.00 177.00 177.59 1x4s s TYR 36 N 3.93 1.65 -0.02 0.56 -0.85 -0.61 -4.53 117.35 117.49 1x4s s TYR 36 Ca 0.67 -0.41 -0.23 0.00 -0.52 0.00 0.00 57.07 56.58 1x4s s TYR 36 Cb -0.29 -0.93 -0.20 0.00 0.38 0.00 0.00 41.96 40.92 1x4s s TYR 36 CO 0.25 0.14 1.19 0.00 -1.52 0.00 0.00 175.55 175.61 1x4s s SER 38 N -6.10 0.62 0.29 0.00 0.01 -1.26 -4.66 113.70 102.60 1x4s s SER 38 Ca -0.15 -1.39 0.04 0.00 1.31 0.00 0.00 55.95 55.76 1x4s s SER 38 Cb 0.02 0.55 0.69 0.00 0.21 0.00 0.00 66.02 67.50 1x4s s SER 38 CO 0.73 -1.10 1.74 -0.07 0.41 0.00 0.00 173.24 174.94 1x4s h LEU 39 N 2.28 0.53 -1.05 2.44 -0.00 -1.98 0.12 115.31 117.66 1x4s h LEU 39 Ca -0.29 0.12 0.28 0.00 -0.00 0.00 0.00 57.88 57.99 1x4s h LEU 39 Cb 1.24 0.05 -0.13 0.00 -0.00 0.00 0.00 40.66 41.82 1x4s h LEU 39 CO 0.41 0.13 0.60 0.08 -0.00 0.00 0.00 178.44 179.67 1x4s h ARG 40 N 0.56 0.44 0.20 1.13 0.11 -1.99 0.39 114.38 115.21 1x4s h ARG 40 Ca 0.55 -0.03 -0.35 0.00 0.10 0.00 0.00 59.98 60.25 1x4s h ARG 40 Cb 0.93 -0.10 0.02 0.00 1.11 0.00 0.00 29.97 31.93 1x4s h ARG 40 CO -0.44 0.29 -1.71 0.00 0.10 0.00 0.00 179.97 178.21 1x4s h TYR 42 N 0.12 0.00 0.04 0.00 3.20 0.16 0.38 116.97 120.87 1x4s h TYR 42 Ca -0.33 0.00 -0.36 0.00 3.14 0.00 0.00 58.73 61.18 1x4s h TYR 42 Cb 2.12 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 40.34 1x4s h TYR 42 CO 0.11 0.00 -2.17 0.54 -1.64 0.00 0.00 178.16 175.00 1x4s n ARG 43 N -3.95 0.69 0.12 1.82 1.74 -0.08 -4.36 116.66 112.65 1x4s n ARG 43 Ca 0.05 0.19 -0.12 0.00 -0.77 0.00 0.00 57.85 57.19 1x4s n ARG 43 Cb 0.45 -1.63 -0.08 0.00 -1.02 0.00 0.00 32.46 30.18 1x4s n ARG 43 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1x4s h THR 44 N 0.02 0.70 -0.80 0.55 2.02 -0.85 -3.28 112.91 111.27 1x4s h THR 44 Ca -0.47 -0.78 0.13 0.00 0.77 0.00 0.00 66.41 66.05 1x4s h THR 44 Cb 2.02 1.07 -0.13 0.00 -1.74 0.00 0.00 68.15 69.38 1x4s h THR 44 CO 0.02 0.14 -0.30 0.00 0.37 0.00 0.00 175.52 175.75 1x4s n HIS 45 N -5.06 0.05 -3.85 3.16 1.44 0.13 -4.74 115.22 106.35 1x4s n HIS 45 Ca -0.09 0.99 -0.09 0.00 -2.01 0.00 0.00 57.72 56.52 1x4s n HIS 45 Cb 0.26 -0.82 0.01 0.00 0.12 0.00 0.00 29.99 29.56 1x4s n HIS 45 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1x4s s GLY 46 N -3.62 0.37 -0.60 -1.39 0.00 -1.24 -5.05 107.32 95.79 1x4s s GLY 46 Ca -0.11 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 43.90 1x4s s GLY 46 CO 0.58 -0.33 1.71 2.41 0.00 0.00 0.00 173.10 177.46 1x4s n THR 47 N -0.51 3.19 0.04 0.90 -1.04 -1.26 -4.50 114.28 111.10 1x4s n THR 47 Ca -0.06 -3.89 -0.20 0.00 -2.04 0.00 0.00 64.05 57.85 1x4s n THR 47 Cb 0.60 -1.19 -0.10 0.00 -1.82 0.00 0.00 70.33 67.81 1x4s n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x4s h ALA 49 N 0.40 1.28 -0.66 0.00 0.00 -1.87 -2.62 119.26 115.78 1x4s h ALA 49 Ca -0.13 0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1x4s h ALA 49 Cb 1.71 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.41 1x4s h ALA 49 CO 0.21 -0.10 -0.39 -1.91 0.00 0.00 0.00 179.25 177.06 1x4s n GLU 50 N -4.88 -0.29 -0.16 0.00 2.13 -1.23 0.71 120.64 116.92 1x4s n GLU 50 Ca 0.17 1.05 -0.11 0.00 0.66 0.00 0.00 57.16 58.93 1x4s n GLU 50 Cb 0.44 -1.55 -0.00 0.00 0.27 0.00 0.00 31.44 30.59 1x4s n GLU 50 CO 0.00 0.00 0.00 -2.95 -0.41 0.00 0.00 177.13 173.77 1x4s h ASN 51 N 0.00 1.02 -0.87 4.31 -1.07 -1.69 -3.19 115.58 114.09 1x4s h ASN 51 Ca 0.11 -0.40 0.16 0.00 0.07 0.00 0.00 56.30 56.24 1x4s h ASN 51 Cb 0.27 -0.28 -0.16 0.00 -2.07 0.00 0.00 38.32 36.08 1x4s h ASN 51 CO -0.62 1.19 -0.29 0.15 0.07 0.00 0.00 177.43 177.93 1x4s h PHE 52 N 0.85 -0.72 -1.18 4.14 3.57 0.57 -3.38 116.94 120.79 1x4s h PHE 52 Ca 0.11 0.09 -0.61 0.00 3.53 0.00 0.00 57.97 61.08 1x4s h PHE 52 Cb 0.79 0.45 -0.10 0.00 2.79 0.00 0.00 35.95 39.88 1x4s h PHE 52 CO 0.05 -0.39 -0.51 1.52 -2.23 0.00 0.00 178.31 176.76 1x4s s TYR 53 N -6.12 2.28 -1.67 0.41 1.13 -0.50 -4.71 117.35 108.17 1x4s s TYR 53 Ca -0.14 -0.73 -0.17 0.00 -1.41 0.00 0.00 57.07 54.62 1x4s s TYR 53 Cb 0.22 -1.82 0.14 0.00 -1.10 0.00 0.00 41.96 39.40 1x4s s TYR 53 CO 0.74 0.19 0.77 0.43 -2.51 0.00 0.00 175.55 175.17 1x4s n SER 54 N -1.23 -3.17 -4.02 -0.18 7.64 -1.26 -4.77 113.62 106.62 1x4s n SER 54 Ca -0.07 -0.99 -0.09 0.00 1.01 0.00 0.00 58.87 58.73 1x4s n SER 54 Cb 0.66 -2.87 -0.11 0.00 -1.01 0.00 0.00 64.21 60.88 1x4s n SER 54 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4s s GLY 55 N -3.39 0.35 -1.00 0.23 0.00 -1.26 -4.95 107.32 97.30 1x4s s GLY 55 Ca 0.67 -0.79 -0.24 0.00 0.00 0.00 0.00 44.72 44.36 1x4s s GLY 55 CO 0.92 -0.87 1.94 2.56 0.00 0.00 0.00 173.10 177.65 1x4s s PRO 56 N -2.15 2.53 -0.11 2.90 0.04 -1.26 -4.92 135.00 132.03 1x4s s PRO 56 Ca -0.09 -0.59 0.02 0.00 0.04 0.00 0.00 61.00 60.39 1x4s s PRO 56 Cb -0.05 -5.12 0.01 0.00 0.04 0.00 0.00 34.50 29.37 1x4s s PRO 56 CO -0.03 -3.59 -0.19 -1.54 0.04 0.00 0.00 177.00 171.69 1x4s s SER 57 N 7.50 2.73 -0.90 6.66 1.04 -1.26 -4.71 113.70 124.77 1x4s s SER 57 Ca 0.69 -0.50 -0.05 0.00 0.48 0.00 0.00 55.95 56.58 1x4s s SER 57 Cb -0.05 -1.25 0.01 0.00 0.10 0.00 0.00 66.02 64.83 1x4s s SER 57 CO 0.04 0.06 0.78 -1.20 0.98 0.00 0.00 173.24 173.90 1x4s n SER 58 N 4.01 -4.35 0.00 7.02 7.64 -1.26 -5.21 113.62 121.47 1x4s n SER 58 Ca -0.20 -0.38 0.00 0.00 1.01 0.00 0.00 58.87 59.31 1x4s n SER 58 Cb 0.52 -3.58 0.00 0.00 -1.01 0.00 0.00 64.21 60.14 1x4s n SER 58 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64