#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 3.48 0.35 1.61 0.01 -1.26 -5.13 113.70 112.76 1x4s s SER 2 Ca 0.00 -1.23 0.08 0.00 1.31 0.00 0.00 55.95 56.11 1x4s s SER 2 Cb 0.00 -0.69 -0.04 0.00 0.21 0.00 0.00 66.02 65.50 1x4s s SER 2 CO 0.00 -0.37 0.14 -0.94 0.41 0.00 0.00 173.24 172.49 1x4s s SER 3 N 1.78 4.64 0.00 2.44 1.04 -1.26 -5.06 113.70 117.28 1x4s s SER 3 Ca 0.05 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.66 1x4s s SER 3 Cb -0.17 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 65.26 1x4s s SER 3 CO -0.19 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1x4s n GLY 4 N -1.16 0.89 3.22 7.32 0.00 -1.26 -4.99 105.19 109.22 1x4s n GLY 4 Ca -0.03 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 1x4s n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4s s SER 5 N -0.19 5.83 0.23 1.61 0.01 -1.26 -4.94 113.70 114.98 1x4s s SER 5 Ca 0.00 -2.12 -0.07 0.00 1.31 0.00 0.00 55.95 55.07 1x4s s SER 5 Cb 0.00 -2.04 0.37 0.00 0.21 0.00 0.00 66.02 64.57 1x4s s SER 5 CO 0.00 -0.66 1.74 0.28 0.41 0.00 0.00 173.24 175.01 1x4s h SER 6 N 8.23 0.26 0.00 2.44 0.02 -2.04 -3.47 113.55 119.00 1x4s h SER 6 Ca -0.15 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1x4s h SER 6 Cb 1.06 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1x4s h SER 6 CO 0.85 0.13 0.00 0.61 -1.14 0.00 0.00 176.83 177.27 1x4s n GLY 7 N -1.31 1.70 3.54 -3.77 0.00 -1.26 -5.13 105.19 98.95 1x4s n GLY 7 Ca 0.12 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 -0.71 -2.23 1.61 0.00 -1.26 -4.99 117.12 109.54 1x4s n MET 8 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 57.70 57.24 1x4s n MET 8 Cb 0.00 -2.14 -0.00 0.00 0.00 0.00 0.00 33.22 31.08 1x4s n MET 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1x4s s GLU 9 N -4.20 3.66 -1.04 0.03 8.01 -1.26 -4.95 118.70 118.96 1x4s s GLU 9 Ca 0.63 0.63 -0.24 0.00 0.01 0.00 0.00 54.97 56.00 1x4s s GLU 9 Cb -0.22 -2.19 -0.07 0.00 -4.31 0.00 0.00 34.13 27.35 1x4s s GLU 9 CO 0.63 -0.38 1.94 -1.25 0.01 0.00 0.00 175.26 176.20 1x4s s PRO 10 N -4.76 2.52 0.35 0.39 0.04 -1.26 -4.93 135.00 127.35 1x4s s PRO 10 Ca 0.53 -0.70 0.05 0.00 0.04 0.00 0.00 61.00 60.93 1x4s s PRO 10 Cb -0.11 -5.15 0.05 0.00 0.04 0.00 0.00 34.50 29.34 1x4s s PRO 10 CO 0.46 -3.67 0.45 0.00 0.04 0.00 0.00 177.00 174.28 1x4s n ALA 11 N 14.18 0.71 -2.86 8.56 0.00 -1.26 -5.10 120.51 134.74 1x4s n ALA 11 Ca 0.42 -1.27 -0.09 0.00 0.00 0.00 0.00 53.44 52.50 1x4s n ALA 11 Cb 0.47 0.37 -0.06 0.00 0.00 0.00 0.00 19.45 20.23 1x4s n ALA 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x4s s GLY 12 N -3.52 0.32 -0.09 0.00 0.00 -1.15 -5.01 107.32 97.87 1x4s s GLY 12 Ca 0.34 -0.70 -0.30 0.00 0.00 0.00 0.00 44.72 44.06 1x4s s GLY 12 CO 0.22 -0.69 1.52 2.56 0.00 0.00 0.00 173.10 176.71 1x4s s PRO 13 N -3.94 4.19 -0.65 2.90 0.04 -1.26 0.18 135.00 136.47 1x4s s PRO 13 Ca 0.15 2.01 -0.32 0.00 0.04 0.00 0.00 61.00 62.87 1x4s s PRO 13 Cb 0.02 -3.91 -0.15 0.00 0.04 0.00 0.00 34.50 30.50 1x4s s PRO 13 CO -0.01 -0.81 2.44 0.00 0.04 0.00 0.00 177.00 178.66 1x4s n GLY 15 N 6.47 2.36 0.00 0.00 0.00 -1.25 -3.04 105.19 109.74 1x4s n GLY 15 Ca 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1x4s n GLY 15 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1x4s n PHE 16 N 0.77 0.00 -3.86 1.61 3.72 -1.26 -5.07 117.46 113.37 1x4s n PHE 16 Ca 0.04 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.21 1x4s n PHE 16 Cb 0.55 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.07 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 -3.89 4.12 0.39 0.00 0.04 -1.26 -4.54 135.00 129.86 1x4s s PRO 18 Ca 0.35 1.91 -0.15 0.00 0.04 0.00 0.00 61.00 63.16 1x4s s PRO 18 Cb -0.09 -2.77 -0.12 0.00 0.04 0.00 0.00 34.50 31.56 1x4s s PRO 18 CO 0.30 -0.28 -0.07 0.00 0.04 0.00 0.00 177.00 176.99 1x4s n ALA 19 N 0.25 -2.73 0.00 8.56 0.00 -1.26 -1.19 120.51 124.14 1x4s n ALA 19 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1x4s n ALA 19 Cb 0.45 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 1.97 1.26 0.22 0.00 0.00 -1.26 -4.34 105.19 103.04 1x4s n GLY 20 Ca 0.07 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.21 1x4s n GLY 20 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1x4s h GLU 21 N 0.00 0.00 -5.13 1.61 3.07 -1.51 -3.44 114.58 109.17 1x4s h GLU 21 Ca 0.00 0.00 -0.43 0.00 -0.50 0.00 0.00 59.36 58.43 1x4s h GLU 21 Cb 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.84 1x4s h GLU 21 CO 0.00 0.00 1.68 1.55 -1.40 0.00 0.00 179.01 180.84 1x4s n VAL 22 N -2.97 -0.02 -2.32 3.13 3.14 -0.52 -4.87 118.33 113.91 1x4s n VAL 22 Ca 0.03 -0.28 -0.32 0.00 -2.96 0.00 0.00 64.34 60.81 1x4s n VAL 22 Cb 0.44 -0.92 -0.03 0.00 -1.06 0.00 0.00 33.84 32.28 1x4s n VAL 22 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1x4s s GLN 23 N 8.46 3.88 -0.58 1.45 -0.21 -1.26 -4.69 119.66 126.71 1x4s s GLN 23 Ca 1.25 0.94 -0.27 0.00 0.02 0.00 0.00 55.36 57.30 1x4s s GLN 23 Cb -0.90 -2.13 -0.02 0.00 1.00 0.00 0.00 33.01 30.96 1x4s s GLN 23 CO 0.44 -0.33 1.84 -1.25 -2.12 0.00 0.00 175.29 173.87 1x4s s PRO 24 N -4.22 2.72 -0.74 2.91 0.04 -1.26 0.16 135.00 134.60 1x4s s PRO 24 Ca 0.59 0.69 -0.24 0.00 0.04 0.00 0.00 61.00 62.07 1x4s s PRO 24 Cb -0.10 -4.36 -0.15 0.00 0.04 0.00 0.00 34.50 29.92 1x4s s PRO 24 CO 0.34 -2.62 2.41 0.00 0.04 0.00 0.00 177.00 177.18 1x4s n ALA 25 N 12.41 0.58 0.30 8.56 0.00 0.49 -4.73 120.51 138.12 1x4s n ALA 25 Ca 0.20 -1.06 0.17 0.00 0.00 0.00 0.00 53.44 52.75 1x4s n ALA 25 Cb 0.51 -3.04 0.69 0.00 0.00 0.00 0.00 19.45 17.61 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 14.63 0.00 0.00 0.00 2.47 -1.79 -3.04 114.38 126.64 1x4s h ARG 26 Ca -0.08 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.05 1x4s h ARG 26 Cb 1.14 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 29.34 1x4s h ARG 26 CO 1.18 0.00 -0.44 0.66 0.56 0.00 0.00 179.97 181.93 1x4s n TYR 27 N -2.95 0.96 -3.66 3.04 4.01 -1.24 -4.89 117.16 112.43 1x4s n TYR 27 Ca 0.01 -2.31 -0.08 0.00 -0.16 0.00 0.00 57.90 55.36 1x4s n TYR 27 Cb 0.28 -0.27 -0.09 0.00 -0.31 0.00 0.00 39.34 38.95 1x4s n TYR 27 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1x4s s THR 28 N -2.71 -0.01 -0.39 -0.72 2.01 -1.26 -2.78 115.64 109.77 1x4s s THR 28 Ca 0.02 0.04 -0.41 0.00 0.31 0.00 0.00 61.69 61.65 1x4s s THR 28 Cb 0.00 -0.84 -0.16 0.00 0.01 0.00 0.00 72.50 71.51 1x4s s THR 28 CO 0.02 0.02 1.98 0.00 -0.69 0.00 0.00 174.62 175.94 1x4s n PRO 30 N 6.70 0.49 -0.01 0.00 -0.04 -1.26 0.22 135.00 141.09 1x4s n PRO 30 Ca 0.40 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.83 1x4s n PRO 30 Cb 0.08 -1.05 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.55 0.07 -0.03 0.54 5.12 -1.26 -4.79 116.66 115.76 1x4s n ARG 31 Ca 0.01 0.02 0.02 0.00 -1.93 0.00 0.00 57.85 55.98 1x4s n ARG 31 Cb 0.01 -0.79 0.04 0.00 -1.16 0.00 0.00 32.46 30.55 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 0.15 -3.29 -4.39 0.00 3.02 0.58 -4.93 115.26 106.42 1x4s n ASN 33 Ca 0.04 -0.80 -0.38 0.00 -0.03 0.00 0.00 54.58 53.40 1x4s n ASN 33 Cb 0.19 -4.34 -0.12 0.00 -0.61 0.00 0.00 39.78 34.91 1x4s n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x4s s ALA 34 N -3.53 3.17 -0.58 5.41 0.00 -1.21 -4.69 121.76 120.34 1x4s s ALA 34 Ca 0.19 -1.45 -0.27 0.00 0.00 0.00 0.00 51.96 50.43 1x4s s ALA 34 Cb -0.05 -2.29 -0.02 0.00 0.00 0.00 0.00 23.12 20.77 1x4s s ALA 34 CO 0.79 -0.96 1.84 -1.25 0.00 0.00 0.00 175.76 176.18 1x4s s PRO 35 N 1.55 2.73 0.15 0.00 0.04 -1.26 -0.01 135.00 138.21 1x4s s PRO 35 Ca 0.03 0.71 0.05 0.00 0.04 0.00 0.00 61.00 61.83 1x4s s PRO 35 Cb -0.17 -4.36 -0.04 0.00 0.04 0.00 0.00 34.50 29.97 1x4s s PRO 35 CO 0.04 -2.60 0.12 1.52 0.04 0.00 0.00 177.00 176.12 1x4s s TYR 36 N 8.72 3.13 0.03 0.56 -0.85 -1.12 -3.84 117.35 124.00 1x4s s TYR 36 Ca 0.68 -0.01 -0.16 0.00 -0.52 0.00 0.00 57.07 57.06 1x4s s TYR 36 Cb -0.14 -1.52 -0.29 0.00 0.38 0.00 0.00 41.96 40.39 1x4s s TYR 36 CO 0.22 0.52 1.07 0.00 -1.52 0.00 0.00 175.55 175.84 1x4s s SER 38 N -7.31 0.12 0.26 0.00 0.01 -1.26 -4.57 113.70 100.94 1x4s s SER 38 Ca -0.10 -1.04 -0.03 0.00 1.31 0.00 0.00 55.95 56.09 1x4s s SER 38 Cb 0.05 0.67 0.55 0.00 0.21 0.00 0.00 66.02 67.49 1x4s s SER 38 CO 0.91 -1.29 1.67 0.25 0.41 0.00 0.00 173.24 175.18 1x4s h LEU 39 N 2.15 -0.03 -0.69 2.44 7.12 -1.98 -1.33 115.31 122.98 1x4s h LEU 39 Ca -0.27 0.17 0.06 0.00 0.13 0.00 0.00 57.88 57.98 1x4s h LEU 39 Cb 1.25 0.24 -0.08 0.00 -0.53 0.00 0.00 40.66 41.53 1x4s h LEU 39 CO 0.35 -0.09 -0.42 0.03 -0.13 0.00 0.00 178.44 178.18 1x4s h ARG 40 N 0.23 -0.01 -0.30 1.25 3.08 -2.00 -0.38 114.38 116.24 1x4s h ARG 40 Ca 0.46 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.49 1x4s h ARG 40 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 1x4s h ARG 40 CO -0.58 -0.01 0.11 0.00 -1.07 0.00 0.00 179.97 178.41 1x4s h TYR 42 N 0.33 0.00 0.02 0.00 3.20 -0.01 0.86 116.97 121.38 1x4s h TYR 42 Ca 0.10 0.00 -0.37 0.00 3.14 0.00 0.00 58.73 61.59 1x4s h TYR 42 Cb 0.22 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.43 1x4s h TYR 42 CO 0.00 0.00 -2.32 0.54 -1.64 0.00 0.00 178.16 174.74 1x4s n ARG 43 N -3.47 0.68 0.10 1.82 1.74 -0.66 -4.50 116.66 112.37 1x4s n ARG 43 Ca 0.24 0.15 -0.12 0.00 -0.77 0.00 0.00 57.85 57.35 1x4s n ARG 43 Cb 1.44 -1.57 -0.08 0.00 -1.02 0.00 0.00 32.46 31.23 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 0.01 0.73 -0.66 0.55 2.02 0.11 -3.23 112.91 112.44 1x4s h THR 44 Ca -0.52 -0.89 0.24 0.00 0.77 0.00 0.00 66.41 66.01 1x4s h THR 44 Cb 2.01 1.16 -0.12 0.00 -1.74 0.00 0.00 68.15 69.45 1x4s h THR 44 CO -0.02 0.16 0.21 0.00 0.37 0.00 0.00 175.52 176.24 1x4s n HIS 45 N -5.02 0.62 -3.74 3.16 1.44 0.18 -4.70 115.22 107.17 1x4s n HIS 45 Ca -0.08 0.79 0.03 0.00 -2.01 0.00 0.00 57.72 56.45 1x4s n HIS 45 Cb 0.26 -1.12 0.00 0.00 0.12 0.00 0.00 29.99 29.25 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 -4.05 -0.36 -0.97 -1.39 0.00 -1.22 -5.09 107.32 94.24 1x4s s GLY 46 Ca -0.07 0.57 -0.11 0.00 0.00 0.00 0.00 44.72 45.11 1x4s s GLY 46 CO 0.52 2.40 0.94 -0.51 0.00 0.00 0.00 173.10 176.44 1x4s s THR 47 N -2.12 5.79 -0.14 0.90 -4.23 -1.26 -4.55 115.64 110.02 1x4s s THR 47 Ca 0.21 -2.98 -0.02 0.00 -1.18 0.00 0.00 61.69 57.72 1x4s s THR 47 Cb 0.04 -4.52 -0.08 0.00 1.34 0.00 0.00 72.50 69.28 1x4s s THR 47 CO -0.04 -1.11 -0.15 0.00 -0.54 0.00 0.00 174.62 172.78 1x4s h ALA 49 N -0.20 2.17 -0.84 0.00 0.00 -1.89 0.66 119.26 119.16 1x4s h ALA 49 Ca -0.33 0.09 0.21 0.00 0.00 0.00 0.00 54.91 54.88 1x4s h ALA 49 Cb 1.42 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 19.14 1x4s h ALA 49 CO -0.11 -0.64 0.20 0.93 0.00 0.00 0.00 179.25 179.62 1x4s h GLU 50 N 0.39 0.20 -0.91 0.00 4.39 -1.96 0.13 114.58 116.83 1x4s h GLU 50 Ca 0.65 -0.01 -0.62 0.00 0.34 0.00 0.00 59.36 59.71 1x4s h GLU 50 Cb 1.59 -0.05 -0.35 0.00 -0.10 0.00 0.00 28.75 29.84 1x4s h GLU 50 CO -0.38 0.13 0.14 0.09 -1.16 0.00 0.00 179.01 177.84 1x4s n ASN 51 N -5.23 6.50 -0.03 1.42 3.02 0.21 -4.57 115.26 116.57 1x4s n ASN 51 Ca 0.19 -3.77 -0.08 0.00 -0.03 0.00 0.00 54.58 50.89 1x4s n ASN 51 Cb 0.62 -0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 1x4s n ASN 51 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1x4s n PHE 52 N -0.82 0.00 -1.73 3.10 7.35 0.47 -5.06 117.46 120.77 1x4s n PHE 52 Ca 0.55 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.95 1x4s n PHE 52 Cb 0.79 -0.29 0.11 0.00 0.35 0.00 0.00 39.48 40.43 1x4s n PHE 52 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 1x4s s TYR 53 N -2.22 2.78 -0.18 -5.13 -0.85 -1.22 -5.07 117.35 105.47 1x4s s TYR 53 Ca -0.12 0.82 0.01 0.00 -0.52 0.00 0.00 57.07 57.26 1x4s s TYR 53 Cb 0.04 -3.42 0.03 0.00 0.38 0.00 0.00 41.96 38.99 1x4s s TYR 53 CO 0.16 -1.99 -0.15 0.45 -1.52 0.00 0.00 175.55 172.50 1x4s s SER 54 N -4.31 3.20 0.00 -0.18 0.15 -1.26 -5.06 113.70 106.24 1x4s s SER 54 Ca 0.62 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 56.54 1x4s s SER 54 Cb -0.13 -1.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.83 1x4s s SER 54 CO 0.51 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.49 1x4s n GLY 55 N 4.65 1.98 1.91 9.45 0.00 -1.26 -5.14 105.19 116.78 1x4s n GLY 55 Ca -0.18 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 1x4s n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4s n PRO 56 N 0.00 -2.19 -2.03 1.61 -0.04 -1.26 -5.05 135.00 126.04 1x4s n PRO 56 Ca 0.00 -0.96 -0.28 0.00 -0.04 0.00 0.00 63.50 62.22 1x4s n PRO 56 Cb 0.00 -0.90 0.07 0.00 -0.04 0.00 0.00 33.50 32.63 1x4s n PRO 56 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x4s s SER 57 N -3.12 4.96 -0.22 3.54 0.01 -1.26 -5.08 113.70 112.54 1x4s s SER 57 Ca 0.39 0.78 -0.02 0.00 1.31 0.00 0.00 55.95 58.41 1x4s s SER 57 Cb -0.04 -1.45 0.07 0.00 0.21 0.00 0.00 66.02 64.80 1x4s s SER 57 CO 0.30 -1.58 0.03 -0.55 0.41 0.00 0.00 173.24 171.85 1x4s s SER 58 N -4.47 3.18 0.00 2.44 0.15 -1.26 -5.28 113.70 108.46 1x4s s SER 58 Ca 0.60 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 56.26 1x4s s SER 58 Cb -0.11 -0.69 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 1x4s s SER 58 CO 0.48 -0.31 0.17 0.61 1.20 0.00 0.00 173.24 175.39