#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 6.53 -0.12 1.61 0.01 -1.26 -4.95 113.70 115.53 1x4s s SER 2 Ca 0.00 0.63 -0.02 0.00 1.31 0.00 0.00 55.95 57.87 1x4s s SER 2 Cb 0.00 -2.25 -0.07 0.00 0.21 0.00 0.00 66.02 63.91 1x4s s SER 2 CO 0.00 -0.05 -0.13 -1.54 0.41 0.00 0.00 173.24 171.93 1x4s n SER 3 N 4.15 2.08 0.00 2.44 3.41 -1.26 -5.11 113.62 119.32 1x4s n SER 3 Ca -0.08 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1x4s n SER 3 Cb 0.51 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1x4s n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4s n GLY 4 N 2.60 3.67 3.80 5.00 0.00 -1.26 -5.14 105.19 113.86 1x4s n GLY 4 Ca -0.23 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 1x4s n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4s s SER 5 N 0.00 5.31 1.02 1.61 1.04 -1.26 -5.01 113.70 116.42 1x4s s SER 5 Ca 0.00 1.71 -0.14 0.00 0.48 0.00 0.00 55.95 58.01 1x4s s SER 5 Cb 0.00 -2.51 0.11 0.00 0.10 0.00 0.00 66.02 63.72 1x4s s SER 5 CO 0.00 -1.49 0.52 -1.20 0.98 0.00 0.00 173.24 172.05 1x4s n SER 6 N -2.92 -1.69 0.00 7.02 7.64 -1.26 -4.86 113.62 117.55 1x4s n SER 6 Ca 0.08 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1x4s n SER 6 Cb 0.53 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 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 1.35 -0.19 3.09 0.23 0.00 -1.26 -4.96 105.19 103.46 1x4s n GLY 7 Ca 0.05 -1.56 -0.21 0.00 0.00 0.00 0.00 46.02 44.31 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 0.27 -5.55 -1.28 1.61 0.00 -1.26 -4.92 117.12 105.99 1x4s n MET 8 Ca 0.00 0.79 -0.38 0.00 0.00 0.00 0.00 57.70 58.11 1x4s n MET 8 Cb 0.00 -5.50 0.04 0.00 0.00 0.00 0.00 33.22 27.76 1x4s n MET 8 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1x4s n GLU 9 N -4.04 0.21 -2.06 0.03 0.28 -1.26 -4.78 120.64 109.01 1x4s n GLU 9 Ca -0.06 0.09 -0.40 0.00 -0.16 0.00 0.00 57.16 56.63 1x4s n GLU 9 Cb 0.59 -1.40 -0.03 0.00 1.43 0.00 0.00 31.44 32.02 1x4s n GLU 9 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1x4s s PRO 10 N -1.87 2.95 0.61 3.44 0.04 -1.26 -4.99 135.00 133.92 1x4s s PRO 10 Ca 0.60 0.90 -0.10 0.00 0.04 0.00 0.00 61.00 62.45 1x4s s PRO 10 Cb -0.41 -4.29 0.14 0.00 0.04 0.00 0.00 34.50 29.98 1x4s s PRO 10 CO 0.63 -2.33 0.83 0.00 0.04 0.00 0.00 177.00 176.16 1x4s n ALA 11 N 11.55 -0.92 -2.51 8.56 0.00 -1.26 -5.11 120.51 130.82 1x4s n ALA 11 Ca 0.21 -1.09 -0.13 0.00 0.00 0.00 0.00 53.44 52.43 1x4s n ALA 11 Cb 0.50 -0.05 -0.11 0.00 0.00 0.00 0.00 19.45 19.80 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 -4.79 0.73 -0.31 0.00 0.00 -1.00 -4.96 107.32 96.98 1x4s s GLY 12 Ca 0.47 -1.11 -0.29 0.00 0.00 0.00 0.00 44.72 43.79 1x4s s GLY 12 CO 0.33 -1.18 1.67 2.56 0.00 0.00 0.00 173.10 176.48 1x4s s PRO 13 N -2.72 3.51 -0.96 2.90 0.04 -1.26 0.23 135.00 136.74 1x4s s PRO 13 Ca 0.03 1.40 -0.22 0.00 0.04 0.00 0.00 61.00 62.24 1x4s s PRO 13 Cb -0.03 -4.12 -0.25 0.00 0.04 0.00 0.00 34.50 30.15 1x4s s PRO 13 CO -0.01 -1.64 2.47 0.00 0.04 0.00 0.00 177.00 177.86 1x4s n GLY 15 N 6.12 3.20 0.00 0.00 0.00 -1.26 -3.44 105.19 109.81 1x4s n GLY 15 Ca 0.64 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 1.09 0.00 -1.41 1.61 3.72 -1.26 -5.09 117.46 116.12 1x4s n PHE 16 Ca 0.15 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.25 1x4s n PHE 16 Cb 0.55 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.18 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 -5.01 4.32 0.18 0.00 0.04 -1.26 -4.70 135.00 128.57 1x4s s PRO 18 Ca 0.60 2.00 -0.18 0.00 0.04 0.00 0.00 61.00 63.46 1x4s s PRO 18 Cb -0.16 -2.97 -0.12 0.00 0.04 0.00 0.00 34.50 31.30 1x4s s PRO 18 CO 0.55 -0.14 0.28 0.00 0.04 0.00 0.00 177.00 177.73 1x4s n ALA 19 N 0.65 -2.38 0.00 8.56 0.00 -1.26 -0.40 120.51 125.68 1x4s n ALA 19 Ca 0.01 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1x4s n ALA 19 Cb 0.44 -1.11 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 1.48 1.58 0.08 0.00 0.00 -1.26 -4.60 105.19 102.47 1x4s n GLY 20 Ca 0.11 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 0.13 -1.16 1.61 4.71 0.47 -4.86 120.64 121.54 1x4s n GLU 21 Ca 0.00 0.33 -0.45 0.00 -0.01 0.00 0.00 57.16 57.03 1x4s n GLU 21 Cb 0.00 -1.73 -0.07 0.00 -1.01 0.00 0.00 31.44 28.64 1x4s n GLU 21 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1x4s n VAL 22 N -1.97 0.00 -4.44 2.62 0.31 -1.19 -4.89 118.33 108.77 1x4s n VAL 22 Ca 0.03 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.12 1x4s n VAL 22 Cb 0.23 -0.28 -0.11 0.00 -0.91 0.00 0.00 33.84 32.78 1x4s n VAL 22 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1x4s s GLN 23 N 1.65 1.57 -0.57 5.55 -0.21 -1.26 -4.95 119.66 121.44 1x4s s GLN 23 Ca 0.69 -1.67 -0.27 0.00 0.02 0.00 0.00 55.36 54.14 1x4s s GLN 23 Cb -0.99 -1.69 -0.02 0.00 1.00 0.00 0.00 33.01 31.32 1x4s s GLN 23 CO 0.52 0.33 1.84 -1.25 -2.12 0.00 0.00 175.29 174.61 1x4s s PRO 24 N -3.27 2.74 -0.96 2.91 0.04 -1.26 0.70 135.00 135.89 1x4s s PRO 24 Ca 0.26 0.71 -0.25 0.00 0.04 0.00 0.00 61.00 61.77 1x4s s PRO 24 Cb -0.05 -4.35 -0.10 0.00 0.04 0.00 0.00 34.50 30.03 1x4s s PRO 24 CO 0.12 -2.60 2.07 0.00 0.04 0.00 0.00 177.00 176.64 1x4s s ALA 25 N 8.71 1.31 0.26 8.56 0.00 0.62 -4.68 121.76 136.55 1x4s s ALA 25 Ca 0.68 -1.48 0.22 0.00 0.00 0.00 0.00 51.96 51.38 1x4s s ALA 25 Cb -0.14 -4.61 0.97 0.00 0.00 0.00 0.00 23.12 19.34 1x4s s ALA 25 CO 0.23 -5.45 1.87 0.00 0.00 0.00 0.00 175.76 172.40 1x4s h ARG 26 N 11.30 0.00 0.00 0.00 3.08 -1.78 -2.64 114.38 124.34 1x4s h ARG 26 Ca 0.09 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.68 1x4s h ARG 26 Cb 0.99 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.01 1x4s h ARG 26 CO 1.14 0.27 -0.19 0.66 -1.07 0.00 0.00 179.97 180.77 1x4s n TYR 27 N -3.61 -1.08 -3.62 3.04 4.01 -1.23 -4.89 117.16 109.78 1x4s n TYR 27 Ca -0.01 -1.90 -0.13 0.00 -0.16 0.00 0.00 57.90 55.70 1x4s n TYR 27 Cb 0.40 -0.39 -0.07 0.00 -0.31 0.00 0.00 39.34 38.97 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 -2.21 0.00 -0.15 -0.72 2.01 -1.26 -2.83 115.64 110.48 1x4s s THR 28 Ca 0.31 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.02 1x4s s THR 28 Cb -0.02 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 1x4s s THR 28 CO 0.20 0.00 1.95 0.00 -0.69 0.00 0.00 174.62 176.08 1x4s n PRO 30 N 8.06 0.49 -0.05 0.00 -0.04 -1.26 0.13 135.00 142.34 1x4s n PRO 30 Ca 0.23 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.64 1x4s n PRO 30 Cb 0.44 -1.09 -0.05 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.59 1.18 -0.93 0.54 5.12 -1.26 -4.76 116.66 115.96 1x4s n ARG 31 Ca 0.02 0.03 0.04 0.00 -1.93 0.00 0.00 57.85 56.01 1x4s n ARG 31 Cb 0.01 -1.20 0.06 0.00 -1.16 0.00 0.00 32.46 30.17 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 -0.09 -1.23 -4.39 0.00 3.02 0.36 -4.88 115.26 108.05 1x4s n ASN 33 Ca 0.07 -1.05 -0.39 0.00 -0.03 0.00 0.00 54.58 53.17 1x4s n ASN 33 Cb 0.90 -1.29 -0.11 0.00 -0.61 0.00 0.00 39.78 38.67 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 -3.97 3.25 -0.31 5.41 0.00 -1.18 -4.75 121.76 120.21 1x4s s ALA 34 Ca 0.20 -1.58 -0.29 0.00 0.00 0.00 0.00 51.96 50.29 1x4s s ALA 34 Cb -0.11 -2.47 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 1x4s s ALA 34 CO 0.80 -1.17 1.67 -1.25 0.00 0.00 0.00 175.76 175.81 1x4s s PRO 35 N 1.56 3.51 0.08 0.00 0.04 -1.26 0.08 135.00 139.01 1x4s s PRO 35 Ca 0.03 1.40 0.09 0.00 0.04 0.00 0.00 61.00 62.56 1x4s s PRO 35 Cb -0.18 -4.12 -0.03 0.00 0.04 0.00 0.00 34.50 30.20 1x4s s PRO 35 CO 0.06 -1.64 -0.24 1.52 0.04 0.00 0.00 177.00 176.74 1x4s s TYR 36 N 6.13 2.39 0.12 0.56 -0.85 -1.13 -4.03 117.35 120.55 1x4s s TYR 36 Ca 0.74 -0.35 -0.14 0.00 -0.52 0.00 0.00 57.07 56.80 1x4s s TYR 36 Cb -0.21 -1.36 -0.05 0.00 0.38 0.00 0.00 41.96 40.72 1x4s s TYR 36 CO 0.32 0.25 1.50 0.00 -1.52 0.00 0.00 175.55 176.10 1x4s n SER 38 N -4.31 -1.64 -0.20 0.00 7.64 -1.26 -4.59 113.62 109.26 1x4s n SER 38 Ca -0.02 -2.81 -0.01 0.00 1.01 0.00 0.00 58.87 57.04 1x4s n SER 38 Cb 0.40 2.93 0.10 0.00 -1.01 0.00 0.00 64.21 66.62 1x4s n SER 38 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1x4s h LEU 39 N 0.00 0.30 -1.00 -3.43 7.12 -1.98 -1.69 115.31 114.63 1x4s h LEU 39 Ca -0.29 0.06 0.36 0.00 0.13 0.00 0.00 57.88 58.14 1x4s h LEU 39 Cb 1.20 0.02 -0.18 0.00 -0.53 0.00 0.00 40.66 41.17 1x4s h LEU 39 CO 0.39 0.19 0.33 0.08 -0.13 0.00 0.00 178.44 179.29 1x4s h ARG 40 N 0.47 0.00 0.11 1.25 0.11 -2.01 1.01 114.38 115.31 1x4s h ARG 40 Ca 0.29 -0.00 -0.27 0.00 0.10 0.00 0.00 59.98 60.09 1x4s h ARG 40 Cb 0.30 -0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.38 1x4s h ARG 40 CO -0.26 0.00 -1.30 0.00 0.10 0.00 0.00 179.97 178.52 1x4s h TYR 42 N 0.06 0.00 0.02 0.00 3.20 0.16 0.66 116.97 121.08 1x4s h TYR 42 Ca -0.15 0.00 -0.36 0.00 3.14 0.00 0.00 58.73 61.36 1x4s h TYR 42 Cb 1.96 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 40.17 1x4s h TYR 42 CO 0.05 0.00 -2.26 0.54 -1.64 0.00 0.00 178.16 174.86 1x4s n ARG 43 N -3.66 0.68 0.05 1.82 1.74 -0.66 -4.42 116.66 112.20 1x4s n ARG 43 Ca 0.04 0.13 -0.07 0.00 -0.77 0.00 0.00 57.85 57.17 1x4s n ARG 43 Cb 0.45 -1.59 -0.05 0.00 -1.02 0.00 0.00 32.46 30.25 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 0.48 -0.65 0.55 2.02 -1.00 -3.33 112.91 110.99 1x4s h THR 44 Ca -0.50 -1.08 0.12 0.00 0.77 0.00 0.00 66.41 65.72 1x4s h THR 44 Cb 2.07 0.85 -0.12 0.00 -1.74 0.00 0.00 68.15 69.21 1x4s h THR 44 CO 0.01 0.14 -0.19 0.00 0.37 0.00 0.00 175.52 175.84 1x4s n HIS 45 N -4.91 0.16 -3.85 3.16 1.44 0.22 -4.73 115.22 106.71 1x4s n HIS 45 Ca -0.05 0.79 -0.03 0.00 -2.01 0.00 0.00 57.72 56.42 1x4s n HIS 45 Cb 0.20 -0.83 0.01 0.00 0.12 0.00 0.00 29.99 29.49 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 -3.96 0.02 -0.98 -1.39 0.00 -1.25 -5.09 107.32 94.67 1x4s s GLY 46 Ca -0.09 -0.19 -0.08 0.00 0.00 0.00 0.00 44.72 44.35 1x4s s GLY 46 CO 0.49 2.02 0.92 -0.51 0.00 0.00 0.00 173.10 176.03 1x4s s THR 47 N -2.37 5.40 -0.15 0.90 -4.23 -1.26 -4.50 115.64 109.43 1x4s s THR 47 Ca 0.20 -3.32 0.15 0.00 -1.18 0.00 0.00 61.69 57.54 1x4s s THR 47 Cb -0.02 -4.29 0.41 0.00 1.34 0.00 0.00 72.50 69.94 1x4s s THR 47 CO 0.04 -1.11 1.20 0.00 -0.54 0.00 0.00 174.62 174.21 1x4s n ALA 49 N -0.75 1.86 -0.30 0.00 0.00 -1.26 -4.20 120.51 115.86 1x4s n ALA 49 Ca 0.15 -0.28 0.12 0.00 0.00 0.00 0.00 53.44 53.43 1x4s n ALA 49 Cb 0.79 0.32 0.27 0.00 0.00 0.00 0.00 19.45 20.83 1x4s n ALA 49 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x4s h GLU 50 N 0.00 0.10 0.10 0.00 4.39 -1.98 -1.09 114.58 116.11 1x4s h GLU 50 Ca -0.14 -0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.40 1x4s h GLU 50 Cb 1.24 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.87 1x4s h GLU 50 CO -0.02 0.07 -0.68 -0.91 -1.16 0.00 0.00 179.01 176.31 1x4s h ASN 51 N 0.11 0.33 -2.36 1.42 4.21 -1.91 -3.42 115.58 113.96 1x4s h ASN 51 Ca 0.54 -0.94 -0.56 0.00 1.21 0.00 0.00 56.30 56.55 1x4s h ASN 51 Cb 1.10 -0.11 -0.09 0.00 -1.12 0.00 0.00 38.32 38.10 1x4s h ASN 51 CO -0.76 1.32 0.99 0.12 -1.29 0.00 0.00 177.43 177.81 1x4s s PHE 52 N -2.38 2.37 -0.07 1.19 5.36 -0.41 -4.98 117.98 119.06 1x4s s PHE 52 Ca -0.16 -0.18 0.02 0.00 -0.96 0.00 0.00 56.93 55.65 1x4s s PHE 52 Cb 0.00 -4.57 0.02 0.00 -0.34 0.00 0.00 43.02 38.13 1x4s s PHE 52 CO 0.78 -2.00 -0.10 0.71 -1.46 0.00 0.00 175.22 173.16 1x4s s TYR 53 N 5.39 1.33 -0.79 10.12 2.02 -1.25 -4.63 117.35 129.55 1x4s s TYR 53 Ca 0.33 -0.51 0.02 0.00 -0.37 0.00 0.00 57.07 56.54 1x4s s TYR 53 Cb -0.09 -1.03 0.21 0.00 -0.40 0.00 0.00 41.96 40.65 1x4s s TYR 53 CO 0.13 -0.31 0.71 0.45 -1.57 0.00 0.00 175.55 174.97 1x4s n SER 54 N 4.07 3.82 0.00 2.29 2.88 -1.26 -5.03 113.62 120.39 1x4s n SER 54 Ca -0.21 -3.24 0.00 0.00 -1.33 0.00 0.00 58.87 54.09 1x4s n SER 54 Cb 0.51 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1x4s n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4s n GLY 55 N 1.83 -0.84 3.63 0.46 0.00 -1.26 -4.96 105.19 104.05 1x4s n GLY 55 Ca 0.23 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 1x4s n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4s s PRO 56 N 0.00 3.87 0.37 1.61 0.04 -1.26 -4.88 135.00 134.74 1x4s s PRO 56 Ca 0.00 1.72 0.19 0.00 0.04 0.00 0.00 61.00 62.94 1x4s s PRO 56 Cb 0.00 -4.01 0.63 0.00 0.04 0.00 0.00 34.50 31.16 1x4s s PRO 56 CO 0.00 -1.21 1.71 0.66 0.04 0.00 0.00 177.00 178.20 1x4s h SER 57 N 10.43 0.00 -3.56 6.66 4.64 -2.00 -3.46 113.55 126.26 1x4s h SER 57 Ca -0.34 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.16 1x4s h SER 57 Cb 1.15 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.99 1x4s h SER 57 CO 0.99 0.38 0.78 -0.55 -0.87 0.00 0.00 176.83 177.56 1x4s s SER 58 N -6.42 -0.18 0.00 4.97 0.15 -1.26 -5.21 113.70 105.75 1x4s s SER 58 Ca 0.01 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.84 1x4s s SER 58 Cb 0.11 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1x4s s SER 58 CO 0.69 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.57