#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 0.71 0.18 1.61 1.04 -1.26 -5.17 113.70 110.81 1x4s s SER 2 Ca 0.00 -0.70 -0.17 0.00 0.48 0.00 0.00 55.95 55.56 1x4s s SER 2 Cb 0.00 0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.24 1x4s s SER 2 CO 0.00 -0.34 0.49 -0.44 0.98 0.00 0.00 173.24 173.93 1x4s s SER 3 N -2.06 -0.24 0.00 7.02 0.01 -1.26 -5.10 113.70 112.07 1x4s s SER 3 Ca -0.04 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.73 1x4s s SER 3 Cb -0.04 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.74 1x4s s SER 3 CO -0.03 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.22 1x4s n GLY 4 N -0.32 1.13 0.29 3.44 0.00 -1.26 -5.00 105.19 103.47 1x4s n GLY 4 Ca -0.11 -0.63 -0.02 0.00 0.00 0.00 0.00 46.02 45.26 1x4s n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1x4s h SER 5 N 0.00 -0.85 -1.68 1.61 4.64 -2.09 -3.42 113.55 111.77 1x4s h SER 5 Ca 0.00 0.21 -0.63 0.00 -0.47 0.00 0.00 61.79 60.90 1x4s h SER 5 Cb 0.00 0.49 0.14 0.00 -0.31 0.00 0.00 62.40 62.72 1x4s h SER 5 CO 0.00 -0.26 -0.72 -0.24 -0.87 0.00 0.00 176.83 174.74 1x4s n SER 6 N -5.45 -2.01 -2.77 4.97 2.88 -1.26 -4.95 113.62 105.02 1x4s n SER 6 Ca 0.07 0.91 -0.09 0.00 -1.33 0.00 0.00 58.87 58.43 1x4s n SER 6 Cb 0.36 -0.95 0.05 0.00 -0.75 0.00 0.00 64.21 62.91 1x4s n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4s n GLY 7 N 2.13 0.25 3.88 0.46 0.00 -1.26 -5.15 105.19 105.50 1x4s n GLY 7 Ca 0.13 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1x4s n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x4s s MET 8 N 0.54 3.73 -0.28 1.61 1.00 -1.26 -5.09 119.30 119.55 1x4s s MET 8 Ca 0.31 0.41 -0.23 0.00 0.00 0.00 0.00 55.69 56.18 1x4s s MET 8 Cb 0.23 -2.40 0.10 0.00 0.00 0.00 0.00 34.83 32.77 1x4s s MET 8 CO -0.22 -0.06 0.85 -1.83 0.00 0.00 0.00 175.02 173.76 1x4s s GLU 9 N -3.99 0.66 0.11 2.03 -1.05 -1.26 -5.15 118.70 110.05 1x4s s GLU 9 Ca 0.50 0.86 -0.31 0.00 -0.15 0.00 0.00 54.97 55.87 1x4s s GLU 9 Cb -0.10 0.28 -0.08 0.00 -0.44 0.00 0.00 34.13 33.79 1x4s s GLU 9 CO 0.34 -0.09 1.36 -1.25 0.95 0.00 0.00 175.26 176.57 1x4s s PRO 10 N 0.60 4.34 0.78 -4.83 0.04 -1.26 -5.03 135.00 129.64 1x4s s PRO 10 Ca -0.01 2.03 -0.09 0.00 0.04 0.00 0.00 61.00 62.97 1x4s s PRO 10 Cb -0.05 -3.26 0.10 0.00 0.04 0.00 0.00 34.50 31.33 1x4s s PRO 10 CO -0.06 -0.41 1.11 0.00 0.04 0.00 0.00 177.00 177.68 1x4s s ALA 11 N 1.06 2.92 0.07 8.56 0.00 -1.26 -5.10 121.76 128.02 1x4s s ALA 11 Ca 0.64 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.62 1x4s s ALA 11 Cb -0.36 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 1x4s s ALA 11 CO 0.30 -1.61 -0.05 0.20 0.00 0.00 0.00 175.76 174.60 1x4s s GLY 12 N -4.62 0.62 -0.34 0.00 0.00 -0.73 -4.97 107.32 97.28 1x4s s GLY 12 Ca 0.64 -1.21 -0.29 0.00 0.00 0.00 0.00 44.72 43.86 1x4s s GLY 12 CO 0.47 -1.31 1.69 2.56 0.00 0.00 0.00 173.10 176.52 1x4s s PRO 13 N -3.51 3.43 -0.65 2.90 0.04 -1.26 0.24 135.00 136.19 1x4s s PRO 13 Ca 0.07 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 1x4s s PRO 13 Cb 0.04 -4.14 -0.17 0.00 0.04 0.00 0.00 34.50 30.26 1x4s s PRO 13 CO -0.06 -1.74 2.03 0.00 0.04 0.00 0.00 177.00 177.27 1x4s n GLY 15 N 5.71 3.79 0.00 0.00 0.00 -1.25 -3.84 105.19 109.59 1x4s n GLY 15 Ca 0.51 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 0.02 0.00 -0.98 1.61 3.72 -1.26 -5.08 117.46 115.49 1x4s n PHE 16 Ca 0.31 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.38 1x4s n PHE 16 Cb 0.80 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 39.47 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 -4.09 4.42 0.04 0.00 0.04 -1.26 -4.84 135.00 129.30 1x4s s PRO 18 Ca 0.70 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 63.61 1x4s s PRO 18 Cb -0.27 -3.17 -0.10 0.00 0.04 0.00 0.00 34.50 31.01 1x4s s PRO 18 CO 0.55 -0.17 0.43 0.00 0.04 0.00 0.00 177.00 177.85 1x4s n ALA 19 N 1.99 -2.04 0.00 8.56 0.00 -1.26 -0.09 120.51 127.67 1x4s n ALA 19 Ca 0.04 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1x4s n ALA 19 Cb 0.43 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 0.87 2.33 1.80 0.00 0.00 -1.26 -4.80 105.19 104.13 1x4s n GLY 20 Ca 0.10 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 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 1.59 -2.54 1.61 4.71 0.87 -4.91 120.64 121.97 1x4s n GLU 21 Ca 0.00 -1.14 -0.43 0.00 -0.01 0.00 0.00 57.16 55.58 1x4s n GLU 21 Cb 0.00 -1.46 -0.02 0.00 -1.01 0.00 0.00 31.44 28.95 1x4s n GLU 21 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1x4s s VAL 22 N -1.64 4.47 0.19 2.62 1.01 -1.26 -4.56 120.40 121.23 1x4s s VAL 22 Ca 0.23 1.77 0.11 0.00 0.00 0.00 0.00 61.98 64.09 1x4s s VAL 22 Cb 0.18 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1x4s s VAL 22 CO -0.01 -0.12 -0.19 -1.10 0.00 0.00 0.00 175.10 173.68 1x4s s GLN 23 N 3.06 1.70 -0.59 2.72 -0.21 -1.26 -4.97 119.66 120.10 1x4s s GLN 23 Ca 0.51 -1.46 -0.27 0.00 0.02 0.00 0.00 55.36 54.16 1x4s s GLN 23 Cb -0.19 -1.94 -0.02 0.00 1.00 0.00 0.00 33.01 31.86 1x4s s GLN 23 CO 0.13 0.41 1.85 -1.25 -2.12 0.00 0.00 175.29 174.31 1x4s s PRO 24 N -2.76 2.69 -0.94 2.91 0.04 -1.26 0.67 135.00 136.34 1x4s s PRO 24 Ca 0.22 0.67 -0.25 0.00 0.04 0.00 0.00 61.00 61.69 1x4s s PRO 24 Cb -0.08 -4.37 -0.08 0.00 0.04 0.00 0.00 34.50 30.01 1x4s s PRO 24 CO 0.12 -2.66 2.02 0.00 0.04 0.00 0.00 177.00 176.53 1x4s s ALA 25 N 8.88 1.48 0.30 8.56 0.00 0.67 -4.70 121.76 136.94 1x4s s ALA 25 Ca 0.68 -1.50 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1x4s s ALA 25 Cb -0.13 -4.59 0.47 0.00 0.00 0.00 0.00 23.12 18.87 1x4s s ALA 25 CO 0.22 -5.16 1.80 0.00 0.00 0.00 0.00 175.76 172.62 1x4s h ARG 26 N 11.26 0.59 -6.71 0.00 3.08 -1.76 -1.95 114.38 118.89 1x4s h ARG 26 Ca 0.10 -0.16 -0.48 0.00 0.07 0.00 0.00 59.98 59.51 1x4s h ARG 26 Cb 0.99 -0.07 0.04 0.00 0.08 0.00 0.00 29.97 31.01 1x4s h ARG 26 CO 1.17 0.66 -0.08 0.71 -1.07 0.00 0.00 179.97 181.37 1x4s s TYR 27 N -4.84 1.62 -0.16 3.04 2.02 -1.26 -4.71 117.35 113.07 1x4s s TYR 27 Ca -0.08 -0.60 -0.28 0.00 -0.37 0.00 0.00 57.07 55.74 1x4s s TYR 27 Cb 0.15 -2.38 0.09 0.00 -0.40 0.00 0.00 41.96 39.41 1x4s s TYR 27 CO 0.79 -1.17 0.79 0.99 -1.57 0.00 0.00 175.55 175.38 1x4s s THR 28 N -2.72 0.00 -0.10 -0.71 2.01 -1.26 -2.91 115.64 109.96 1x4s s THR 28 Ca 0.62 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.33 1x4s s THR 28 Cb -0.06 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.38 1x4s s THR 28 CO 0.39 0.00 2.07 0.00 -0.69 0.00 0.00 174.62 176.39 1x4s n PRO 30 N 8.12 0.49 -0.01 0.00 -0.04 -1.26 0.14 135.00 142.44 1x4s n PRO 30 Ca 0.24 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.70 1x4s n PRO 30 Cb 0.43 -1.15 -0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.65 0.03 -0.38 0.54 1.74 -1.26 -4.78 116.66 111.89 1x4s n ARG 31 Ca 0.04 0.01 0.07 0.00 -0.77 0.00 0.00 57.85 57.19 1x4s n ARG 31 Cb 0.02 -1.02 0.13 0.00 -1.02 0.00 0.00 32.46 30.57 1x4s n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x4s n ASN 33 N -1.01 -1.07 -4.39 0.00 4.13 0.37 -4.84 115.26 108.45 1x4s n ASN 33 Ca 0.14 -0.91 -0.39 0.00 1.68 0.00 0.00 54.58 55.10 1x4s n ASN 33 Cb 0.70 -1.11 -0.12 0.00 -1.54 0.00 0.00 39.78 37.72 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 -3.97 3.23 -0.05 5.41 0.00 -1.21 -4.71 121.76 120.45 1x4s s ALA 34 Ca 0.17 -1.56 -0.30 0.00 0.00 0.00 0.00 51.96 50.27 1x4s s ALA 34 Cb -0.10 -2.42 -0.05 0.00 0.00 0.00 0.00 23.12 20.55 1x4s s ALA 34 CO 0.69 -1.14 1.49 -1.25 0.00 0.00 0.00 175.76 175.55 1x4s s PRO 35 N 1.55 4.22 -0.06 0.00 0.04 -1.26 -0.18 135.00 139.32 1x4s s PRO 35 Ca 0.03 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.11 1x4s s PRO 35 Cb -0.18 -3.79 0.01 0.00 0.04 0.00 0.00 34.50 30.59 1x4s s PRO 35 CO 0.06 -0.73 -0.11 1.52 0.04 0.00 0.00 177.00 177.78 1x4s s TYR 36 N 3.33 1.30 0.15 0.56 -0.85 -1.14 -3.95 117.35 116.75 1x4s s TYR 36 Ca 0.66 -0.45 -0.16 0.00 -0.52 0.00 0.00 57.07 56.60 1x4s s TYR 36 Cb -0.31 -0.97 0.06 0.00 0.38 0.00 0.00 41.96 41.12 1x4s s TYR 36 CO 0.26 -0.24 1.75 0.00 -1.52 0.00 0.00 175.55 175.80 1x4s s SER 38 N -5.35 0.62 0.24 0.00 0.01 -1.26 -4.62 113.70 103.34 1x4s s SER 38 Ca -0.13 -1.42 -0.05 0.00 1.31 0.00 0.00 55.95 55.66 1x4s s SER 38 Cb 0.12 0.52 0.44 0.00 0.21 0.00 0.00 66.02 67.30 1x4s s SER 38 CO 0.71 -1.04 1.72 -0.07 0.41 0.00 0.00 173.24 174.97 1x4s h LEU 39 N 2.34 0.20 -1.21 2.44 4.07 -1.98 0.39 115.31 121.56 1x4s h LEU 39 Ca -0.30 0.11 0.37 0.00 0.08 0.00 0.00 57.88 58.14 1x4s h LEU 39 Cb 1.24 0.11 -0.14 0.00 1.08 0.00 0.00 40.66 42.96 1x4s h LEU 39 CO 0.43 0.07 0.69 0.08 -1.08 0.00 0.00 178.44 178.63 1x4s h ARG 40 N 0.39 0.20 0.10 1.13 0.11 -1.99 0.44 114.38 114.76 1x4s h ARG 40 Ca 0.40 -0.01 -0.32 0.00 0.10 0.00 0.00 59.98 60.15 1x4s h ARG 40 Cb 0.62 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.64 1x4s h ARG 40 CO -0.42 0.13 -1.64 0.00 0.10 0.00 0.00 179.97 178.14 1x4s h TYR 42 N 0.06 0.00 0.03 0.00 3.20 0.86 0.34 116.97 121.46 1x4s h TYR 42 Ca -0.28 0.00 -0.37 0.00 3.14 0.00 0.00 58.73 61.22 1x4s h TYR 42 Cb 2.02 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 40.23 1x4s h TYR 42 CO 0.06 0.00 -2.26 0.54 -1.64 0.00 0.00 178.16 174.85 1x4s n ARG 43 N -3.62 0.68 0.11 1.82 1.74 -0.44 -4.41 116.66 112.54 1x4s n ARG 43 Ca 0.01 0.15 -0.11 0.00 -0.77 0.00 0.00 57.85 57.13 1x4s n ARG 43 Cb 0.29 -1.59 -0.07 0.00 -1.02 0.00 0.00 32.46 30.07 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 0.66 -0.77 0.55 2.02 -1.13 -3.26 112.91 110.99 1x4s h THR 44 Ca -0.50 -0.88 0.19 0.00 0.77 0.00 0.00 66.41 65.99 1x4s h THR 44 Cb 2.03 1.06 -0.14 0.00 -1.74 0.00 0.00 68.15 69.35 1x4s h THR 44 CO -0.00 0.15 -0.05 0.00 0.37 0.00 0.00 175.52 175.99 1x4s n HIS 45 N -5.03 0.43 -3.80 3.16 1.44 0.11 -4.68 115.22 106.85 1x4s n HIS 45 Ca -0.08 0.93 -0.06 0.00 -2.01 0.00 0.00 57.72 56.50 1x4s n HIS 45 Cb 0.26 -1.04 -0.02 0.00 0.12 0.00 0.00 29.99 29.32 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 -4.19 -0.17 -0.67 -1.39 0.00 -1.23 -5.04 107.32 94.62 1x4s s GLY 46 Ca -0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 44.72 44.52 1x4s s GLY 46 CO 0.60 -0.04 2.03 -1.30 0.00 0.00 0.00 173.10 174.39 1x4s n THR 47 N -0.46 3.62 0.06 0.90 -2.24 -1.26 -4.50 114.28 110.41 1x4s n THR 47 Ca -0.05 -3.04 -0.07 0.00 -2.27 0.00 0.00 64.05 58.63 1x4s n THR 47 Cb 0.60 -1.16 0.10 0.00 -2.10 0.00 0.00 70.33 67.76 1x4s n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x4s n ALA 49 N -2.49 6.22 0.00 0.00 0.00 -1.26 -3.82 120.51 119.16 1x4s n ALA 49 Ca -0.03 -2.82 0.00 0.00 0.00 0.00 0.00 53.44 50.60 1x4s n ALA 49 Cb 0.62 -3.20 0.00 0.00 0.00 0.00 0.00 19.45 16.87 1x4s n ALA 49 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1x4s n GLU 50 N 3.90 0.00 -0.06 0.00 0.28 -1.25 -4.88 120.64 118.63 1x4s n GLU 50 Ca 0.63 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 57.55 1x4s n GLU 50 Cb 0.19 -0.95 -0.06 0.00 1.43 0.00 0.00 31.44 32.05 1x4s n GLU 50 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1x4s n ASN 51 N -2.39 2.93 -0.26 -1.84 4.13 -1.25 -4.62 115.26 111.96 1x4s n ASN 51 Ca 0.00 -0.05 0.20 0.00 1.68 0.00 0.00 54.58 56.42 1x4s n ASN 51 Cb 0.45 0.07 0.38 0.00 -1.54 0.00 0.00 39.78 39.14 1x4s n ASN 51 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 1x4s n PHE 52 N -2.71 0.77 -1.71 3.10 -1.74 -1.26 -4.39 117.46 109.51 1x4s n PHE 52 Ca -0.20 0.94 -0.39 0.00 -0.56 0.00 0.00 57.45 57.23 1x4s n PHE 52 Cb 0.75 -1.25 0.03 0.00 1.52 0.00 0.00 39.48 40.53 1x4s n PHE 52 CO 0.00 0.00 0.00 2.48 -0.56 0.00 0.00 176.76 178.68 1x4s n TYR 53 N -4.90 2.03 -4.55 2.97 0.18 -1.26 -5.02 117.16 106.62 1x4s n TYR 53 Ca 0.26 0.46 -0.25 0.00 1.88 0.00 0.00 57.90 60.24 1x4s n TYR 53 Cb 0.86 -2.34 -0.11 0.00 -0.38 0.00 0.00 39.34 37.38 1x4s n TYR 53 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 1x4s s SER 54 N -0.82 3.33 0.00 9.48 0.01 -1.26 -5.01 113.70 119.43 1x4s s SER 54 Ca 0.68 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1x4s s SER 54 Cb -0.45 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.50 1x4s s SER 54 CO 0.52 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 174.32 1x4s n GLY 55 N -0.83 -0.83 0.00 3.44 0.00 -1.26 -4.92 105.19 100.79 1x4s n GLY 55 Ca -0.04 0.30 0.06 0.00 0.00 0.00 0.00 46.02 46.33 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 0.49 -3.49 1.61 -0.04 -1.26 -4.57 135.00 127.73 1x4s n PRO 56 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1x4s n PRO 56 Cb 0.00 -1.36 -0.10 0.00 -0.04 0.00 0.00 33.50 32.00 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 -1.86 6.04 -0.17 3.54 0.15 -1.26 -4.95 113.70 115.19 1x4s s SER 57 Ca 0.17 -0.83 -0.22 0.00 0.70 0.00 0.00 55.95 55.77 1x4s s SER 57 Cb 0.08 -2.13 -0.19 0.00 -1.71 0.00 0.00 66.02 62.06 1x4s s SER 57 CO 0.13 -0.40 0.35 -1.28 1.20 0.00 0.00 173.24 173.24 1x4s h SER 58 N 8.58 0.00 -0.01 5.45 0.87 -2.04 -3.51 113.55 122.88 1x4s h SER 58 Ca -0.28 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 59.69 1x4s h SER 58 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1x4s h SER 58 CO 0.70 1.20 0.00 0.61 -0.53 0.00 0.00 176.83 178.82