#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 -0.93 0.95 1.61 0.01 -1.26 -5.16 113.70 108.92 1x4s s SER 2 Ca 0.00 1.44 -0.16 0.00 1.31 0.00 0.00 55.95 58.53 1x4s s SER 2 Cb 0.00 1.57 -0.11 0.00 0.21 0.00 0.00 66.02 67.70 1x4s s SER 2 CO 0.00 -0.22 -0.46 -1.20 0.41 0.00 0.00 173.24 171.77 1x4s n SER 3 N 4.51 -4.90 0.00 2.44 7.64 -1.26 -3.10 113.62 118.96 1x4s n SER 3 Ca -0.18 0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1x4s n SER 3 Cb 0.57 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 1x4s n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4s n GLY 4 N 2.95 2.05 2.36 0.23 0.00 -1.26 -4.69 105.19 106.82 1x4s n GLY 4 Ca 0.01 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 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 3.87 -3.56 -3.67 1.61 2.88 -1.18 -5.04 113.62 108.54 1x4s n SER 5 Ca 0.00 -0.25 -0.08 0.00 -1.33 0.00 0.00 58.87 57.21 1x4s n SER 5 Cb 0.00 -2.52 -0.09 0.00 -0.75 0.00 0.00 64.21 60.85 1x4s n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4s s SER 6 N -3.24 -0.55 0.00 -3.46 0.15 -1.26 -5.08 113.70 100.27 1x4s s SER 6 Ca 0.21 1.11 0.00 0.00 0.70 0.00 0.00 55.95 57.96 1x4s s SER 6 Cb -0.09 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 65.51 1x4s s SER 6 CO 0.32 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1x4s n GLY 7 N 4.89 0.90 3.77 9.45 0.00 -1.26 -5.08 105.19 117.86 1x4s n GLY 7 Ca -0.15 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 3.03 0.15 1.61 1.00 -1.26 -5.10 119.30 118.73 1x4s s MET 8 Ca 0.00 -0.49 -0.23 0.00 0.00 0.00 0.00 55.69 54.97 1x4s s MET 8 Cb 0.00 -2.84 -0.08 0.00 0.00 0.00 0.00 34.83 31.91 1x4s s MET 8 CO 0.00 0.65 0.72 -1.21 0.00 0.00 0.00 175.02 175.18 1x4s s GLU 9 N -1.63 4.45 1.15 2.03 2.02 -1.26 -5.07 118.70 120.39 1x4s s GLU 9 Ca 0.22 1.03 -0.17 0.00 0.02 0.00 0.00 54.97 56.07 1x4s s GLU 9 Cb -0.12 -3.23 0.26 0.00 0.10 0.00 0.00 34.13 31.15 1x4s s GLU 9 CO 0.12 0.58 1.10 -1.25 0.02 0.00 0.00 175.26 175.83 1x4s s PRO 10 N -1.20 -0.78 0.30 0.39 0.04 -1.26 -5.09 135.00 127.39 1x4s s PRO 10 Ca 0.35 0.09 0.08 0.00 0.04 0.00 0.00 61.00 61.56 1x4s s PRO 10 Cb -0.22 -1.63 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 1x4s s PRO 10 CO 0.24 -3.45 -0.09 0.00 0.04 0.00 0.00 177.00 173.73 1x4s s ALA 11 N -2.99 2.59 0.09 8.56 0.00 -1.26 -4.94 121.76 123.80 1x4s s ALA 11 Ca 0.69 -1.95 0.01 0.00 0.00 0.00 0.00 51.96 50.72 1x4s s ALA 11 Cb -0.12 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1x4s s ALA 11 CO 0.57 0.03 -0.06 0.20 0.00 0.00 0.00 175.76 176.50 1x4s s GLY 12 N -3.50 0.72 -0.32 0.00 0.00 -0.88 -4.93 107.32 98.40 1x4s s GLY 12 Ca 0.30 -1.30 -0.29 0.00 0.00 0.00 0.00 44.72 43.44 1x4s s GLY 12 CO 0.14 -1.40 1.68 2.56 0.00 0.00 0.00 173.10 176.08 1x4s s PRO 13 N -3.69 3.48 -0.77 2.90 0.04 -1.26 0.22 135.00 135.93 1x4s s PRO 13 Ca 0.10 1.38 -0.24 0.00 0.04 0.00 0.00 61.00 62.27 1x4s s PRO 13 Cb 0.04 -4.13 -0.15 0.00 0.04 0.00 0.00 34.50 30.30 1x4s s PRO 13 CO -0.05 -1.68 2.40 0.00 0.04 0.00 0.00 177.00 177.71 1x4s h GLY 15 N 20.34 0.70 -0.90 0.00 0.00 -1.88 -2.89 103.07 118.43 1x4s h GLY 15 Ca -0.04 -0.52 0.41 0.00 0.00 0.00 0.00 47.33 47.18 1x4s h GLY 15 CO 1.12 0.47 0.93 0.74 0.00 0.00 0.00 176.54 179.80 1x4s h PHE 16 N 0.59 0.32 -4.25 5.60 0.04 -1.86 -3.40 116.94 113.98 1x4s h PHE 16 Ca 0.10 0.01 -0.51 0.00 2.80 0.00 0.00 57.97 60.38 1x4s h PHE 16 Cb 0.57 -0.08 0.10 0.00 2.20 0.00 0.00 35.95 38.73 1x4s h PHE 16 CO 0.02 -0.06 0.36 0.00 -0.60 0.00 0.00 178.31 178.03 1x4s s PRO 18 N -4.44 2.50 0.40 0.00 0.04 -1.26 -4.77 135.00 127.47 1x4s s PRO 18 Ca 0.63 1.27 -0.23 0.00 0.04 0.00 0.00 61.00 62.71 1x4s s PRO 18 Cb -0.17 -1.92 -0.13 0.00 0.04 0.00 0.00 34.50 32.32 1x4s s PRO 18 CO 0.46 -1.47 0.63 0.00 0.04 0.00 0.00 177.00 176.66 1x4s n ALA 19 N -3.02 -1.31 0.00 8.56 0.00 -1.26 -2.03 120.51 121.46 1x4s n ALA 19 Ca 0.10 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1x4s n ALA 19 Cb 0.53 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 1.69 1.57 0.00 0.00 0.00 -1.26 -4.55 105.19 102.64 1x4s n GLY 20 Ca 0.12 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 0.01 -1.37 1.61 -0.58 -0.86 -4.79 120.64 114.66 1x4s n GLU 21 Ca 0.00 0.40 -0.54 0.00 -0.42 0.00 0.00 57.16 56.60 1x4s n GLU 21 Cb 0.00 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.29 1x4s n GLU 21 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1x4s n VAL 22 N -1.44 0.00 -4.40 2.62 0.31 -1.16 -4.90 118.33 109.36 1x4s n VAL 22 Ca 0.01 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.06 1x4s n VAL 22 Cb 0.03 -0.39 -0.12 0.00 -0.91 0.00 0.00 33.84 32.44 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 2.42 1.49 -0.75 5.55 -0.21 -1.26 -4.95 119.66 121.95 1x4s s GLN 23 Ca 0.83 -1.41 -0.26 0.00 0.02 0.00 0.00 55.36 54.54 1x4s s GLN 23 Cb -1.18 -1.90 -0.03 0.00 1.00 0.00 0.00 33.01 30.89 1x4s s GLN 23 CO 0.64 0.43 1.90 -1.25 -2.12 0.00 0.00 175.29 174.90 1x4s s PRO 24 N -2.35 2.59 -0.73 2.91 0.04 -1.26 -0.10 135.00 136.10 1x4s s PRO 24 Ca 0.17 0.17 -0.24 0.00 0.04 0.00 0.00 61.00 61.14 1x4s s PRO 24 Cb -0.09 -4.72 -0.15 0.00 0.04 0.00 0.00 34.50 29.58 1x4s s PRO 24 CO 0.08 -3.05 2.42 0.00 0.04 0.00 0.00 177.00 176.49 1x4s n ALA 25 N 13.36 0.58 0.17 8.56 0.00 0.61 -4.74 120.51 139.04 1x4s n ALA 25 Ca 0.30 -1.06 0.01 0.00 0.00 0.00 0.00 53.44 52.69 1x4s n ALA 25 Cb 0.50 -3.06 0.30 0.00 0.00 0.00 0.00 19.45 17.19 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 14.92 0.00 0.00 0.00 2.47 -1.79 -2.35 114.38 127.63 1x4s h ARG 26 Ca -0.09 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.34 1x4s h ARG 26 Cb 1.14 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.44 1x4s h ARG 26 CO 1.17 0.45 -0.14 0.66 0.56 0.00 0.00 179.97 182.67 1x4s n TYR 27 N -3.99 -1.05 -3.58 3.04 4.01 -1.24 -4.80 117.16 109.55 1x4s n TYR 27 Ca -0.02 -1.17 -0.13 0.00 -0.16 0.00 0.00 57.90 56.42 1x4s n TYR 27 Cb 0.47 -0.23 -0.06 0.00 -0.31 0.00 0.00 39.34 39.22 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 -1.37 0.00 -0.10 -0.72 2.01 -1.26 -3.17 115.64 111.04 1x4s s THR 28 Ca 0.16 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.86 1x4s s THR 28 Cb -0.01 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.44 1x4s s THR 28 CO 0.10 0.00 1.84 0.00 -0.69 0.00 0.00 174.62 175.87 1x4s n PRO 30 N 7.69 0.49 -0.01 0.00 -0.04 -1.26 0.11 135.00 141.98 1x4s n PRO 30 Ca 0.21 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.65 1x4s n PRO 30 Cb 0.43 -1.10 -0.01 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.60 0.04 -0.56 0.54 1.74 -1.26 -4.80 116.66 111.76 1x4s n ARG 31 Ca 0.02 0.01 0.06 0.00 -0.77 0.00 0.00 57.85 57.18 1x4s n ARG 31 Cb 0.01 -0.88 0.15 0.00 -1.02 0.00 0.00 32.46 30.72 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 -0.91 -1.06 -4.45 0.00 0.23 0.30 -4.84 115.26 104.54 1x4s n ASN 33 Ca 0.15 -0.89 -0.43 0.00 -0.53 0.00 0.00 54.58 52.87 1x4s n ASN 33 Cb 0.74 -1.09 -0.09 0.00 -2.08 0.00 0.00 39.78 37.26 1x4s n ASN 33 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x4s s ALA 34 N -3.97 3.48 -0.57 -2.53 0.00 -1.21 -4.69 121.76 112.27 1x4s s ALA 34 Ca 0.17 -1.75 -0.27 0.00 0.00 0.00 0.00 51.96 50.11 1x4s s ALA 34 Cb -0.10 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.01 1x4s s ALA 34 CO 0.68 -1.58 1.84 -1.25 0.00 0.00 0.00 175.76 175.45 1x4s s PRO 35 N 1.84 2.74 -0.00 0.00 0.04 -1.26 -0.55 135.00 137.81 1x4s s PRO 35 Ca 0.07 0.72 0.02 0.00 0.04 0.00 0.00 61.00 61.86 1x4s s PRO 35 Cb -0.20 -4.35 -0.03 0.00 0.04 0.00 0.00 34.50 29.96 1x4s s PRO 35 CO 0.10 -2.59 -0.04 1.52 0.04 0.00 0.00 177.00 176.03 1x4s s TYR 36 N 8.70 2.96 0.11 0.56 -0.85 -1.19 -4.11 117.35 123.53 1x4s s TYR 36 Ca 0.69 0.01 -0.16 0.00 -0.52 0.00 0.00 57.07 57.09 1x4s s TYR 36 Cb -0.14 -1.64 -0.06 0.00 0.38 0.00 0.00 41.96 40.51 1x4s s TYR 36 CO 0.23 0.41 1.50 0.00 -1.52 0.00 0.00 175.55 176.17 1x4s s SER 38 N -6.26 0.42 0.24 0.00 0.01 -1.26 -4.51 113.70 102.34 1x4s s SER 38 Ca -0.13 -1.26 -0.06 0.00 1.31 0.00 0.00 55.95 55.82 1x4s s SER 38 Cb 0.09 0.60 0.44 0.00 0.21 0.00 0.00 66.02 67.36 1x4s s SER 38 CO 0.79 -1.19 1.68 -0.07 0.41 0.00 0.00 173.24 174.87 1x4s h LEU 39 N 2.23 -0.02 -0.99 2.44 -0.00 -1.98 -1.40 115.31 115.59 1x4s h LEU 39 Ca -0.29 0.15 0.14 0.00 -0.00 0.00 0.00 57.88 57.88 1x4s h LEU 39 Cb 1.25 0.21 -0.15 0.00 -0.00 0.00 0.00 40.66 41.96 1x4s h LEU 39 CO 0.39 -0.05 -0.42 0.54 -0.00 0.00 0.00 178.44 178.90 1x4s n ARG 40 N -5.17 -0.27 -0.06 1.13 1.74 -1.26 -0.61 116.66 112.16 1x4s n ARG 40 Ca 0.14 1.52 -0.13 0.00 -0.77 0.00 0.00 57.85 58.61 1x4s n ARG 40 Cb 0.45 -2.25 -0.06 0.00 -1.02 0.00 0.00 32.46 29.57 1x4s n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x4s h TYR 42 N 0.09 0.00 0.04 0.00 3.20 0.15 0.60 116.97 121.06 1x4s h TYR 42 Ca 0.03 0.00 -0.38 0.00 3.14 0.00 0.00 58.73 61.52 1x4s h TYR 42 Cb 0.74 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.95 1x4s h TYR 42 CO 0.08 0.00 -2.29 0.54 -1.64 0.00 0.00 178.16 174.85 1x4s n ARG 43 N -3.48 0.69 0.12 1.82 1.74 -0.34 -4.36 116.66 112.85 1x4s n ARG 43 Ca 0.15 0.17 -0.12 0.00 -0.77 0.00 0.00 57.85 57.28 1x4s n ARG 43 Cb 1.06 -1.59 -0.08 0.00 -1.02 0.00 0.00 32.46 30.83 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 -0.85 0.55 2.02 0.26 -3.29 112.91 112.32 1x4s h THR 44 Ca -0.52 -0.79 0.12 0.00 0.77 0.00 0.00 66.41 66.00 1x4s h THR 44 Cb 1.98 1.08 -0.13 0.00 -1.74 0.00 0.00 68.15 69.34 1x4s h THR 44 CO -0.02 0.14 -0.37 0.00 0.37 0.00 0.00 175.52 175.65 1x4s n HIS 45 N -5.06 -0.06 -3.58 3.16 1.44 0.18 -4.69 115.22 106.61 1x4s n HIS 45 Ca -0.09 1.05 -0.11 0.00 -2.01 0.00 0.00 57.72 56.57 1x4s n HIS 45 Cb 0.26 -0.77 -0.04 0.00 0.12 0.00 0.00 29.99 29.57 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 -3.34 -0.37 -0.44 -1.39 0.00 -1.24 -5.04 107.32 95.50 1x4s s GLY 46 Ca -0.11 0.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.70 1x4s s GLY 46 CO 0.59 -0.15 2.05 -1.30 0.00 0.00 0.00 173.10 174.29 1x4s n THR 47 N -0.29 3.09 0.03 0.90 -2.24 -1.26 -4.46 114.28 110.06 1x4s n THR 47 Ca -0.16 -2.15 -0.08 0.00 -2.27 0.00 0.00 64.05 59.39 1x4s n THR 47 Cb 0.64 -1.29 0.07 0.00 -2.10 0.00 0.00 70.33 67.65 1x4s n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x4s h ALA 49 N 1.02 0.88 -0.92 0.00 0.00 -1.87 -2.29 119.26 116.09 1x4s h ALA 49 Ca -0.00 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 54.91 1x4s h ALA 49 Cb 1.12 -0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 1x4s h ALA 49 CO 0.10 0.44 0.53 0.93 0.00 0.00 0.00 179.25 181.25 1x4s h GLU 50 N 0.95 0.74 -0.87 0.00 4.39 -1.90 -0.70 114.58 117.20 1x4s h GLU 50 Ca 0.23 -0.04 -0.57 0.00 0.34 0.00 0.00 59.36 59.32 1x4s h GLU 50 Cb 0.12 -0.17 -0.30 0.00 -0.10 0.00 0.00 28.75 28.30 1x4s h GLU 50 CO -0.03 0.49 0.35 -1.71 -1.16 0.00 0.00 179.01 176.95 1x4s n ASN 51 N -4.77 5.96 -0.03 1.42 5.15 -1.01 -4.51 115.26 117.47 1x4s n ASN 51 Ca 0.18 -3.76 -0.07 0.00 -0.60 0.00 0.00 54.58 50.33 1x4s n ASN 51 Cb 0.42 -0.78 -0.02 0.00 -0.53 0.00 0.00 39.78 38.87 1x4s n ASN 51 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1x4s n PHE 52 N -0.93 0.00 -2.78 1.20 7.35 -0.27 -4.97 117.46 117.06 1x4s n PHE 52 Ca 0.55 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.81 1x4s n PHE 52 Cb 0.91 -0.25 -0.03 0.00 0.35 0.00 0.00 39.48 40.46 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 -2.15 3.13 0.61 -5.13 1.13 -1.21 -5.01 117.35 108.72 1x4s s TYR 53 Ca -0.10 0.92 -0.18 0.00 -1.41 0.00 0.00 57.07 56.30 1x4s s TYR 53 Cb 0.04 -3.57 -0.06 0.00 -1.10 0.00 0.00 41.96 37.26 1x4s s TYR 53 CO 0.13 -0.75 0.71 0.45 -2.51 0.00 0.00 175.55 173.57 1x4s n SER 54 N 6.69 -0.32 0.00 -0.18 2.88 -1.26 -5.01 113.62 116.41 1x4s n SER 54 Ca 0.08 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 1x4s n SER 54 Cb 0.48 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 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 1.55 1.44 3.56 0.46 0.00 -1.26 -4.98 105.19 105.97 1x4s n GLY 55 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 2.82 2.55 -0.03 1.61 0.04 -1.26 -4.80 135.00 135.94 1x4s s PRO 56 Ca 0.00 -0.43 -0.25 0.00 0.04 0.00 0.00 61.00 60.37 1x4s s PRO 56 Cb 0.00 -5.09 -0.19 0.00 0.04 0.00 0.00 34.50 29.26 1x4s s PRO 56 CO 0.00 -3.46 1.16 1.03 0.04 0.00 0.00 177.00 175.77 1x4s h SER 57 N 11.04 -0.11 -6.20 6.66 0.87 -2.03 -3.47 113.55 120.32 1x4s h SER 57 Ca 0.12 -0.40 -0.45 0.00 -1.23 0.00 0.00 61.79 59.82 1x4s h SER 57 Cb 0.99 0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.99 1x4s h SER 57 CO 1.21 0.38 -0.77 -0.24 -0.53 0.00 0.00 176.83 176.88 1x4s n SER 58 N -4.92 -4.14 0.00 6.23 2.88 -1.26 -5.30 113.62 107.11 1x4s n SER 58 Ca -0.08 -0.76 0.00 0.00 -1.33 0.00 0.00 58.87 56.69 1x4s n SER 58 Cb 0.26 -4.07 0.00 0.00 -0.75 0.00 0.00 64.21 59.65 1x4s n SER 58 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42