#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 -0.01 -0.25 1.61 1.04 -1.26 -5.14 113.70 109.68 1x4s s SER 2 Ca 0.00 -0.44 -0.05 0.00 0.48 0.00 0.00 55.95 55.94 1x4s s SER 2 Cb 0.00 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.46 1x4s s SER 2 CO 0.00 -0.67 0.01 -0.94 0.98 0.00 0.00 173.24 172.62 1x4s s SER 3 N -3.49 4.71 0.17 7.02 1.04 -1.26 -4.99 113.70 116.91 1x4s s SER 3 Ca 0.23 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1x4s s SER 3 Cb -0.01 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.30 1x4s s SER 3 CO 0.02 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.76 1x4s n GLY 4 N 4.82 -3.29 3.63 7.32 0.00 -1.26 -4.87 105.19 111.55 1x4s n GLY 4 Ca -0.16 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 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 -3.29 6.73 -0.23 1.61 0.01 -1.26 -5.01 113.70 112.26 1x4s s SER 5 Ca 0.00 0.85 -0.03 0.00 1.31 0.00 0.00 55.95 58.08 1x4s s SER 5 Cb 0.00 -2.41 0.11 0.00 0.21 0.00 0.00 66.02 63.93 1x4s s SER 5 CO 0.00 -0.51 0.27 -0.55 0.41 0.00 0.00 173.24 172.86 1x4s s SER 6 N 1.45 1.10 0.00 2.44 0.15 -1.26 -5.12 113.70 112.46 1x4s s SER 6 Ca 0.32 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.81 1x4s s SER 6 Cb -0.15 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1x4s s SER 6 CO 0.09 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1x4s n GLY 7 N 5.33 2.63 0.01 9.45 0.00 -1.26 -4.94 105.19 116.41 1x4s n GLY 7 Ca -0.05 -1.91 0.04 0.00 0.00 0.00 0.00 46.02 44.11 1x4s n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1x4s n MET 8 N 0.84 0.62 -4.57 1.61 -0.00 -1.26 -5.00 117.12 109.37 1x4s n MET 8 Ca 0.00 -0.08 -0.31 0.00 -0.00 0.00 0.00 57.70 57.31 1x4s n MET 8 Cb 0.00 -1.25 -0.12 0.00 -0.00 0.00 0.00 33.22 31.85 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 -2.65 2.21 -0.19 3.17 2.02 -1.26 -5.09 118.70 116.92 1x4s s GLU 9 Ca -0.04 -0.91 -0.29 0.00 0.02 0.00 0.00 54.97 53.75 1x4s s GLU 9 Cb 0.06 -2.29 -0.03 0.00 0.10 0.00 0.00 34.13 31.97 1x4s s GLU 9 CO 0.43 0.55 1.59 -1.25 0.02 0.00 0.00 175.26 176.60 1x4s s PRO 10 N -1.49 3.91 0.23 0.39 0.04 -1.26 -4.98 135.00 131.84 1x4s s PRO 10 Ca 0.16 1.75 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 1x4s s PRO 10 Cb -0.11 -4.00 -0.01 0.00 0.04 0.00 0.00 34.50 30.42 1x4s s PRO 10 CO 0.07 -1.16 0.42 0.00 0.04 0.00 0.00 177.00 176.37 1x4s s ALA 11 N 4.82 -0.05 0.11 8.56 0.00 -1.26 -4.89 121.76 129.05 1x4s s ALA 11 Ca 0.70 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 51.64 1x4s s ALA 11 Cb -0.26 1.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 1x4s s ALA 11 CO 0.28 -0.80 0.10 0.20 0.00 0.00 0.00 175.76 175.53 1x4s s GLY 12 N -3.03 0.59 -0.05 0.00 0.00 -0.83 -4.98 107.32 99.02 1x4s s GLY 12 Ca 0.24 -1.14 -0.30 0.00 0.00 0.00 0.00 44.72 43.53 1x4s s GLY 12 CO 0.09 -1.15 1.49 2.56 0.00 0.00 0.00 173.10 176.08 1x4s s PRO 13 N -3.96 4.23 -0.64 2.90 0.04 -1.26 0.20 135.00 136.50 1x4s s PRO 13 Ca 0.15 2.01 -0.27 0.00 0.04 0.00 0.00 61.00 62.93 1x4s s PRO 13 Cb 0.06 -3.78 -0.11 0.00 0.04 0.00 0.00 34.50 30.71 1x4s s PRO 13 CO -0.04 -0.72 2.49 0.00 0.04 0.00 0.00 177.00 178.77 1x4s n GLY 15 N 6.16 2.31 0.00 0.00 0.00 -1.26 -3.09 105.19 109.30 1x4s n GLY 15 Ca 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 0.99 0.00 -2.06 1.61 3.72 -1.26 -5.07 117.46 115.39 1x4s n PHE 16 Ca 0.01 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.12 1x4s n PHE 16 Cb 0.51 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.08 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 -5.18 2.41 -0.49 0.00 0.04 -1.26 -4.74 135.00 125.78 1x4s s PRO 18 Ca 0.55 1.23 -0.28 0.00 0.04 0.00 0.00 61.00 62.55 1x4s s PRO 18 Cb -0.11 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 1x4s s PRO 18 CO 0.50 -1.53 2.40 0.00 0.04 0.00 0.00 177.00 178.41 1x4s n ALA 19 N -3.21 0.93 0.00 8.56 0.00 -1.26 -1.40 120.51 124.14 1x4s n ALA 19 Ca 0.09 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1x4s n ALA 19 Cb 0.53 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 16.96 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 6.07 3.32 2.01 0.00 0.00 -1.26 -4.94 105.19 110.39 1x4s n GLY 20 Ca 0.39 -0.81 -0.25 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 2.71 -2.18 1.61 -0.58 -0.49 -4.84 120.64 116.86 1x4s n GLU 21 Ca 0.00 -3.47 -0.42 0.00 -0.42 0.00 0.00 57.16 52.86 1x4s n GLU 21 Cb 0.00 -2.18 0.00 0.00 -0.57 0.00 0.00 31.44 28.69 1x4s n GLU 21 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1x4s n VAL 22 N -0.94 4.62 -1.16 2.62 3.14 -1.22 -4.53 118.33 120.86 1x4s n VAL 22 Ca 0.52 -4.30 -0.36 0.00 -2.96 0.00 0.00 64.34 57.24 1x4s n VAL 22 Cb 0.95 -2.28 0.07 0.00 -1.06 0.00 0.00 33.84 31.52 1x4s n VAL 22 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x4s n GLN 23 N 3.18 0.16 -2.04 1.45 6.02 -1.26 -4.24 117.38 120.66 1x4s n GLN 23 Ca 0.48 0.09 -0.39 0.00 -0.01 0.00 0.00 57.00 57.18 1x4s n GLN 23 Cb 0.32 -1.75 -0.03 0.00 1.02 0.00 0.00 30.24 29.80 1x4s n GLN 23 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1x4s s PRO 24 N -2.79 2.72 -0.74 -1.09 0.04 -1.26 -1.60 135.00 130.27 1x4s s PRO 24 Ca 0.62 0.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.12 1x4s s PRO 24 Cb -0.32 -4.36 -0.15 0.00 0.04 0.00 0.00 34.50 29.71 1x4s s PRO 24 CO 0.62 -2.62 2.41 0.00 0.04 0.00 0.00 177.00 177.45 1x4s n ALA 25 N 12.43 0.57 0.07 8.56 0.00 0.52 -4.75 120.51 137.90 1x4s n ALA 25 Ca 0.21 -1.10 -0.01 0.00 0.00 0.00 0.00 53.44 52.54 1x4s n ALA 25 Cb 0.51 -3.08 0.28 0.00 0.00 0.00 0.00 19.45 17.16 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 14.68 0.33 0.00 0.00 3.08 -1.78 -2.20 114.38 128.50 1x4s h ARG 26 Ca -0.08 -0.11 -0.24 0.00 0.07 0.00 0.00 59.98 59.63 1x4s h ARG 26 Cb 1.13 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 1x4s h ARG 26 CO 1.16 0.55 -0.08 0.66 -1.07 0.00 0.00 179.97 181.19 1x4s n TYR 27 N -4.16 -1.90 -3.57 3.04 4.01 -1.25 -4.70 117.16 108.63 1x4s n TYR 27 Ca -0.01 -1.00 -0.15 0.00 -0.16 0.00 0.00 57.90 56.58 1x4s n TYR 27 Cb 0.36 -0.22 -0.06 0.00 -0.31 0.00 0.00 39.34 39.11 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 -0.91 0.00 -0.02 -0.72 2.01 -1.26 -3.15 115.64 111.59 1x4s s THR 28 Ca 0.21 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.91 1x4s s THR 28 Cb -0.02 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.42 1x4s s THR 28 CO 0.13 0.00 1.92 0.00 -0.69 0.00 0.00 174.62 175.99 1x4s n PRO 30 N 7.60 0.49 -0.05 0.00 -0.04 -1.26 0.11 135.00 141.86 1x4s n PRO 30 Ca 0.20 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.57 1x4s n PRO 30 Cb 0.42 -1.37 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.87 0.21 -0.46 0.54 3.00 -1.26 -4.76 116.66 113.06 1x4s n ARG 31 Ca 0.09 0.08 0.07 0.00 -0.01 0.00 0.00 57.85 58.07 1x4s n ARG 31 Cb 0.04 -0.92 0.19 0.00 0.00 0.00 0.00 32.46 31.77 1x4s n ARG 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x4s n ASN 33 N -1.20 -0.92 -4.43 0.00 3.02 0.31 -4.83 115.26 107.22 1x4s n ASN 33 Ca 0.19 -0.77 -0.39 0.00 -0.03 0.00 0.00 54.58 53.58 1x4s n ASN 33 Cb 0.70 -0.94 -0.11 0.00 -0.61 0.00 0.00 39.78 38.82 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 -3.98 3.30 -0.31 5.41 0.00 -1.21 -4.68 121.76 120.30 1x4s s ALA 34 Ca 0.15 -1.48 -0.29 0.00 0.00 0.00 0.00 51.96 50.34 1x4s s ALA 34 Cb -0.08 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 1x4s s ALA 34 CO 0.59 -1.05 1.67 -1.25 0.00 0.00 0.00 175.76 175.72 1x4s s PRO 35 N 1.61 3.52 -0.03 0.00 0.04 -1.26 0.11 135.00 138.99 1x4s s PRO 35 Ca 0.04 1.41 0.05 0.00 0.04 0.00 0.00 61.00 62.54 1x4s s PRO 35 Cb -0.18 -4.12 -0.03 0.00 0.04 0.00 0.00 34.50 30.22 1x4s s PRO 35 CO 0.07 -1.63 -0.16 1.52 0.04 0.00 0.00 177.00 176.84 1x4s s TYR 36 N 6.11 2.65 0.05 0.56 -0.85 -1.19 -4.04 117.35 120.64 1x4s s TYR 36 Ca 0.74 -0.19 -0.21 0.00 -0.52 0.00 0.00 57.07 56.89 1x4s s TYR 36 Cb -0.22 -1.59 -0.13 0.00 0.38 0.00 0.00 41.96 40.40 1x4s s TYR 36 CO 0.32 0.18 1.42 0.00 -1.52 0.00 0.00 175.55 175.95 1x4s s SER 38 N -5.95 0.03 0.34 0.00 0.15 -1.26 -4.62 113.70 102.40 1x4s s SER 38 Ca -0.14 -0.34 0.26 0.00 0.70 0.00 0.00 55.95 56.43 1x4s s SER 38 Cb 0.06 0.28 1.16 0.00 -1.71 0.00 0.00 66.02 65.80 1x4s s SER 38 CO 0.73 -0.53 1.20 -0.11 1.20 0.00 0.00 173.24 175.74 1x4s n LEU 39 N 0.80 0.15 -0.07 3.45 -0.00 -1.26 0.82 117.00 120.89 1x4s n LEU 39 Ca -0.19 1.05 -0.08 0.00 -0.00 0.00 0.00 56.01 56.78 1x4s n LEU 39 Cb 0.58 -0.52 -0.02 0.00 -0.00 0.00 0.00 43.42 43.47 1x4s n LEU 39 CO 0.22 -1.14 0.66 0.08 -0.00 0.00 0.00 177.39 177.21 1x4s h ARG 40 N 0.00 -0.26 -0.07 1.96 0.11 -1.99 -1.15 114.38 112.97 1x4s h ARG 40 Ca 0.68 0.02 -0.15 0.00 0.10 0.00 0.00 59.98 60.63 1x4s h ARG 40 Cb 2.23 0.06 -0.01 0.00 1.11 0.00 0.00 29.97 33.36 1x4s h ARG 40 CO -0.34 -0.18 -0.62 0.00 0.10 0.00 0.00 179.97 178.94 1x4s h TYR 42 N 0.19 0.00 0.05 0.00 3.20 -0.72 0.40 116.97 120.08 1x4s h TYR 42 Ca -0.01 0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.51 1x4s h TYR 42 Cb 1.13 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.36 1x4s h TYR 42 CO 0.02 0.00 -2.09 0.54 -1.64 0.00 0.00 178.16 174.99 1x4s n ARG 43 N -4.11 0.69 0.13 1.82 1.74 -0.71 -4.37 116.66 111.86 1x4s n ARG 43 Ca 0.05 0.20 -0.12 0.00 -0.77 0.00 0.00 57.85 57.22 1x4s n ARG 43 Cb 0.47 -1.66 -0.07 0.00 -1.02 0.00 0.00 32.46 30.17 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 0.03 0.61 -0.71 0.55 2.02 -0.86 -3.29 112.91 111.26 1x4s h THR 44 Ca -0.44 -0.79 0.11 0.00 0.77 0.00 0.00 66.41 66.06 1x4s h THR 44 Cb 2.03 0.96 -0.11 0.00 -1.74 0.00 0.00 68.15 69.29 1x4s h THR 44 CO 0.04 0.13 -0.28 0.00 0.37 0.00 0.00 175.52 175.78 1x4s n HIS 45 N -5.07 0.00 -3.81 3.16 1.44 0.13 -4.75 115.22 106.33 1x4s n HIS 45 Ca -0.09 0.87 -0.03 0.00 -2.01 0.00 0.00 57.72 56.47 1x4s n HIS 45 Cb 0.26 -0.75 0.00 0.00 0.12 0.00 0.00 29.99 29.62 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 -3.50 -0.06 -0.93 -1.39 0.00 -1.24 -5.10 107.32 95.10 1x4s s GLY 46 Ca -0.10 -0.09 -0.10 0.00 0.00 0.00 0.00 44.72 44.43 1x4s s GLY 46 CO 0.50 1.10 0.88 -0.51 0.00 0.00 0.00 173.10 175.07 1x4s s THR 47 N -2.70 5.51 -0.02 0.90 -4.23 -1.26 -4.54 115.64 109.30 1x4s s THR 47 Ca 0.17 -3.01 0.03 0.00 -1.18 0.00 0.00 61.69 57.70 1x4s s THR 47 Cb -0.02 -4.37 -0.04 0.00 1.34 0.00 0.00 72.50 69.41 1x4s s THR 47 CO 0.04 -1.08 0.04 0.00 -0.54 0.00 0.00 174.62 173.07 1x4s h ALA 49 N 0.20 0.99 -0.36 0.00 0.00 -1.89 -3.23 119.26 114.98 1x4s h ALA 49 Ca -0.04 -0.51 0.07 0.00 0.00 0.00 0.00 54.91 54.44 1x4s h ALA 49 Cb 0.65 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1x4s h ALA 49 CO 0.00 0.70 -0.10 0.93 0.00 0.00 0.00 179.25 180.78 1x4s h GLU 50 N 0.00 -0.01 -1.16 0.00 4.39 -1.95 -0.42 114.58 115.44 1x4s h GLU 50 Ca -0.01 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.34 1x4s h GLU 50 Cb 1.04 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.51 1x4s h GLU 50 CO 0.07 -0.01 0.45 0.09 -1.16 0.00 0.00 179.01 178.46 1x4s n ASN 51 N -5.29 4.78 -3.78 1.42 4.13 -1.22 -4.64 115.26 110.66 1x4s n ASN 51 Ca 0.01 -3.08 -0.28 0.00 1.68 0.00 0.00 54.58 52.91 1x4s n ASN 51 Cb 0.20 -0.84 -0.12 0.00 -1.54 0.00 0.00 39.78 37.49 1x4s n ASN 51 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1x4s s PHE 52 N -2.12 2.97 -0.04 3.10 5.36 -0.17 -5.06 117.98 122.02 1x4s s PHE 52 Ca 0.36 -3.09 -0.00 0.00 -0.96 0.00 0.00 56.93 53.24 1x4s s PHE 52 Cb 0.30 -2.29 0.03 0.00 -0.34 0.00 0.00 43.02 40.71 1x4s s PHE 52 CO 0.04 -0.62 0.01 0.71 -1.46 0.00 0.00 175.22 173.90 1x4s s TYR 53 N -1.05 0.38 -0.44 10.12 2.02 -1.26 -4.98 117.35 122.13 1x4s s TYR 53 Ca 0.26 -0.01 0.04 0.00 -0.37 0.00 0.00 57.07 56.99 1x4s s TYR 53 Cb -0.04 -0.51 0.44 0.00 -0.40 0.00 0.00 41.96 41.46 1x4s s TYR 53 CO -0.17 -0.18 1.44 0.45 -1.57 0.00 0.00 175.55 175.52 1x4s n SER 54 N 4.49 5.73 -3.32 2.29 2.88 -1.26 -4.97 113.62 119.46 1x4s n SER 54 Ca -0.19 -3.76 -0.15 0.00 -1.33 0.00 0.00 58.87 53.43 1x4s n SER 54 Cb 0.50 -0.56 -0.03 0.00 -0.75 0.00 0.00 64.21 63.37 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 -0.71 3.75 0.00 0.46 0.00 -1.26 -5.01 105.19 102.42 1x4s n GLY 55 Ca 0.48 -2.28 0.07 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.69 0.18 -3.64 1.61 -0.04 -1.26 -4.73 135.00 126.42 1x4s n PRO 56 Ca -0.09 0.16 -0.16 0.00 -0.04 0.00 0.00 63.50 63.38 1x4s n PRO 56 Cb 0.31 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.20 1x4s n PRO 56 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x4s s SER 57 N -2.64 -0.45 -0.45 3.54 0.15 -1.26 -5.12 113.70 107.48 1x4s s SER 57 Ca 0.13 0.47 0.03 0.00 0.70 0.00 0.00 55.95 57.28 1x4s s SER 57 Cb 0.10 0.49 0.16 0.00 -1.71 0.00 0.00 66.02 65.05 1x4s s SER 57 CO 0.23 -0.50 0.31 -0.55 1.20 0.00 0.00 173.24 173.93 1x4s s SER 58 N -1.13 2.77 0.00 5.45 0.15 -1.26 -4.88 113.70 114.80 1x4s s SER 58 Ca -0.11 -2.89 0.00 0.00 0.70 0.00 0.00 55.95 53.65 1x4s s SER 58 Cb -0.03 -0.74 0.00 0.00 -1.71 0.00 0.00 66.02 63.54 1x4s s SER 58 CO 0.07 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.91