#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 0.09 0.95 1.61 1.04 -1.26 -5.15 113.70 110.99 1x4s s SER 2 Ca 0.00 0.42 -0.12 0.00 0.48 0.00 0.00 55.95 56.73 1x4s s SER 2 Cb 0.00 0.35 0.09 0.00 0.10 0.00 0.00 66.02 66.56 1x4s s SER 2 CO 0.00 -0.19 0.72 -0.24 0.98 0.00 0.00 173.24 174.51 1x4s n SER 3 N 4.62 -1.10 -1.17 7.02 2.88 -1.26 -5.04 113.62 119.58 1x4s n SER 3 Ca -0.19 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1x4s n SER 3 Cb 0.51 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 1x4s n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4s n GLY 4 N 1.00 5.42 3.37 0.46 0.00 -1.26 -5.08 105.19 109.09 1x4s n GLY 4 Ca 0.08 -2.07 -0.46 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.26 6.65 0.96 1.61 0.01 -1.26 -5.04 113.70 116.37 1x4s s SER 5 Ca 0.00 -2.35 -0.13 0.00 1.31 0.00 0.00 55.95 54.79 1x4s s SER 5 Cb 0.00 -2.28 0.06 0.00 0.21 0.00 0.00 66.02 64.01 1x4s s SER 5 CO 0.00 -0.78 0.50 -1.54 0.41 0.00 0.00 173.24 171.83 1x4s n SER 6 N 5.02 -1.74 0.00 2.44 3.41 -1.26 -4.97 113.62 116.52 1x4s n SER 6 Ca 0.14 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1x4s n SER 6 Cb 0.47 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1x4s n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4s n GLY 7 N 1.34 0.00 0.25 5.00 0.00 -1.26 -5.03 105.19 105.48 1x4s n GLY 7 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.34 -3.62 1.61 -0.00 -1.26 -5.07 117.12 109.12 1x4s n MET 8 Ca 0.00 0.11 -0.15 0.00 -0.00 0.00 0.00 57.70 57.66 1x4s n MET 8 Cb 0.00 -1.19 -0.07 0.00 -0.00 0.00 0.00 33.22 31.95 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 -2.28 0.84 -1.19 3.17 2.02 -1.26 -5.08 118.70 114.91 1x4s s GLU 9 Ca -0.20 0.62 -0.23 0.00 0.02 0.00 0.00 54.97 55.18 1x4s s GLU 9 Cb 0.06 0.40 -0.09 0.00 0.10 0.00 0.00 34.13 34.61 1x4s s GLU 9 CO 0.31 -0.17 1.93 -1.25 0.02 0.00 0.00 175.26 176.10 1x4s s PRO 10 N -0.25 2.50 0.01 0.39 0.04 -1.26 -4.79 135.00 131.63 1x4s s PRO 10 Ca -0.04 -1.19 -0.29 0.00 0.04 0.00 0.00 61.00 59.53 1x4s s PRO 10 Cb -0.03 -5.25 0.10 0.00 0.04 0.00 0.00 34.50 29.37 1x4s s PRO 10 CO 0.04 -3.99 1.25 0.00 0.04 0.00 0.00 177.00 174.34 1x4s s ALA 11 N 11.03 -2.26 0.11 8.56 0.00 -1.26 -4.92 121.76 133.02 1x4s s ALA 11 Ca 0.68 0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.98 1x4s s ALA 11 Cb -0.01 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 1x4s s ALA 11 CO 0.13 -1.10 -0.09 0.20 0.00 0.00 0.00 175.76 174.91 1x4s s GLY 12 N -3.37 0.87 -0.13 0.00 0.00 -1.18 -4.94 107.32 98.57 1x4s s GLY 12 Ca 0.21 -1.33 -0.29 0.00 0.00 0.00 0.00 44.72 43.30 1x4s s GLY 12 CO -0.01 -1.43 1.55 2.56 0.00 0.00 0.00 173.10 175.76 1x4s s PRO 13 N -3.48 4.08 -0.89 2.90 0.04 -1.26 0.16 135.00 136.56 1x4s s PRO 13 Ca 0.11 1.90 -0.25 0.00 0.04 0.00 0.00 61.00 62.80 1x4s s PRO 13 Cb 0.02 -3.95 -0.11 0.00 0.04 0.00 0.00 34.50 30.51 1x4s s PRO 13 CO -0.02 -0.94 2.18 0.00 0.04 0.00 0.00 177.00 178.26 1x4s h GLY 15 N 20.48 0.84 -0.75 0.00 0.00 -1.87 -2.97 103.07 118.79 1x4s h GLY 15 Ca 0.05 -0.54 0.32 0.00 0.00 0.00 0.00 47.33 47.17 1x4s h GLY 15 CO 1.10 0.50 0.37 0.74 0.00 0.00 0.00 176.54 179.24 1x4s h PHE 16 N 0.74 0.55 -3.64 5.60 0.04 -1.85 -3.41 116.94 114.97 1x4s h PHE 16 Ca 0.15 0.05 -0.54 0.00 2.80 0.00 0.00 57.97 60.43 1x4s h PHE 16 Cb 0.40 -0.08 0.19 0.00 2.20 0.00 0.00 35.95 38.66 1x4s h PHE 16 CO 0.02 -0.34 -0.16 0.00 -0.60 0.00 0.00 178.31 177.23 1x4s s PRO 18 N -3.52 4.38 0.05 0.00 0.04 -1.26 -4.86 135.00 129.83 1x4s s PRO 18 Ca 0.66 2.04 -0.22 0.00 0.04 0.00 0.00 61.00 63.52 1x4s s PRO 18 Cb -0.29 -3.21 -0.12 0.00 0.04 0.00 0.00 34.50 30.92 1x4s s PRO 18 CO 0.58 -0.29 0.53 0.00 0.04 0.00 0.00 177.00 177.86 1x4s n ALA 19 N 2.98 -2.35 0.00 8.56 0.00 -1.26 -0.11 120.51 128.33 1x4s n ALA 19 Ca 0.07 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1x4s n ALA 19 Cb 0.43 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 1.06 2.67 2.20 0.00 0.00 -1.26 -4.82 105.19 105.03 1x4s n GLY 20 Ca 0.12 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 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 2.42 -2.33 1.61 -0.58 0.84 -4.96 120.64 117.64 1x4s n GLU 21 Ca 0.00 -2.83 -0.43 0.00 -0.42 0.00 0.00 57.16 53.48 1x4s n GLU 21 Cb 0.00 -2.11 -0.02 0.00 -0.57 0.00 0.00 31.44 28.74 1x4s n GLU 21 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1x4s s VAL 22 N -4.05 4.10 0.18 2.62 1.01 -1.26 -4.61 120.40 118.39 1x4s s VAL 22 Ca 0.56 1.30 0.09 0.00 0.00 0.00 0.00 61.98 63.93 1x4s s VAL 22 Cb 0.44 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1x4s s VAL 22 CO 0.00 -0.21 -0.11 -1.10 0.00 0.00 0.00 175.10 173.69 1x4s s GLN 23 N 3.82 2.01 -0.54 2.72 -1.52 -1.26 -4.93 119.66 119.95 1x4s s GLN 23 Ca 0.59 -1.28 -0.27 0.00 -1.95 0.00 0.00 55.36 52.45 1x4s s GLN 23 Cb -0.23 -2.14 -0.02 0.00 -0.22 0.00 0.00 33.01 30.41 1x4s s GLN 23 CO 0.20 0.44 1.83 -1.25 -0.25 0.00 0.00 175.29 176.25 1x4s s PRO 24 N -2.77 2.82 -0.91 2.91 0.04 -1.26 -0.22 135.00 135.60 1x4s s PRO 24 Ca 0.24 0.79 -0.25 0.00 0.04 0.00 0.00 61.00 61.82 1x4s s PRO 24 Cb -0.09 -4.33 -0.19 0.00 0.04 0.00 0.00 34.50 29.93 1x4s s PRO 24 CO 0.14 -2.50 2.23 0.00 0.04 0.00 0.00 177.00 176.91 1x4s n ALA 25 N 12.06 0.29 -0.08 8.56 0.00 0.42 -4.71 120.51 137.05 1x4s n ALA 25 Ca 0.21 -1.76 0.19 0.00 0.00 0.00 0.00 53.44 52.08 1x4s n ALA 25 Cb 0.51 -3.20 0.63 0.00 0.00 0.00 0.00 19.45 17.38 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 12.06 0.15 0.00 0.00 2.47 -1.79 -3.12 114.38 124.16 1x4s h ARG 26 Ca 0.00 -0.01 -0.30 0.00 -1.26 0.00 0.00 59.98 58.41 1x4s h ARG 26 Cb 1.00 -0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 29.24 1x4s h ARG 26 CO 1.02 0.10 -0.21 0.66 0.56 0.00 0.00 179.97 182.10 1x4s n TYR 27 N -4.40 0.37 -3.59 3.04 4.01 -1.25 -4.85 117.16 110.50 1x4s n TYR 27 Ca 0.13 -1.15 -0.14 0.00 -0.16 0.00 0.00 57.90 56.57 1x4s n TYR 27 Cb 0.62 -0.16 -0.06 0.00 -0.31 0.00 0.00 39.34 39.43 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 -1.78 0.00 -0.09 -0.72 2.01 -1.26 -3.01 115.64 110.79 1x4s s THR 28 Ca 0.02 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.72 1x4s s THR 28 Cb -0.00 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.44 1x4s s THR 28 CO 0.01 0.00 2.10 0.00 -0.69 0.00 0.00 174.62 176.03 1x4s n PRO 30 N 8.14 0.49 -0.03 0.00 -0.04 -1.26 0.14 135.00 142.44 1x4s n PRO 30 Ca 0.25 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.66 1x4s n PRO 30 Cb 0.43 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.67 0.14 -0.55 0.54 3.00 -1.26 -4.77 116.66 113.08 1x4s n ARG 31 Ca 0.04 0.04 0.06 0.00 -0.01 0.00 0.00 57.85 57.98 1x4s n ARG 31 Cb 0.02 -1.04 0.13 0.00 0.00 0.00 0.00 32.46 31.57 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 -0.82 -1.19 -4.45 0.00 3.02 0.36 -4.85 115.26 107.33 1x4s n ASN 33 Ca 0.13 -0.97 -0.42 0.00 -0.03 0.00 0.00 54.58 53.30 1x4s n ASN 33 Cb 0.75 -1.18 -0.10 0.00 -0.61 0.00 0.00 39.78 38.63 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 3.43 -0.46 5.41 0.00 -1.20 -4.71 121.76 120.27 1x4s s ALA 34 Ca 0.19 -1.67 -0.28 0.00 0.00 0.00 0.00 51.96 50.20 1x4s s ALA 34 Cb -0.11 -2.78 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 1x4s s ALA 34 CO 0.74 -1.37 1.77 -1.25 0.00 0.00 0.00 175.76 175.65 1x4s s PRO 35 N 1.65 3.08 -0.09 0.00 0.04 -1.26 -0.19 135.00 138.23 1x4s s PRO 35 Ca 0.04 1.02 0.01 0.00 0.04 0.00 0.00 61.00 62.12 1x4s s PRO 35 Cb -0.19 -4.25 -0.02 0.00 0.04 0.00 0.00 34.50 30.08 1x4s s PRO 35 CO 0.09 -2.17 -0.12 1.52 0.04 0.00 0.00 177.00 176.35 1x4s s TYR 36 N 7.58 2.79 0.30 0.56 -0.85 -1.16 -4.16 117.35 122.40 1x4s s TYR 36 Ca 0.72 -0.35 0.00 0.00 -0.52 0.00 0.00 57.07 56.91 1x4s s TYR 36 Cb -0.17 -1.75 0.48 0.00 0.38 0.00 0.00 41.96 40.90 1x4s s TYR 36 CO 0.28 0.02 1.89 0.00 -1.52 0.00 0.00 175.55 176.22 1x4s s SER 38 N -6.55 0.39 0.29 0.00 0.15 -1.26 -4.49 113.70 102.23 1x4s s SER 38 Ca -0.10 -1.25 0.00 0.00 0.70 0.00 0.00 55.95 55.30 1x4s s SER 38 Cb 0.16 0.74 0.52 0.00 -1.71 0.00 0.00 66.02 65.73 1x4s s SER 38 CO 0.79 -1.46 1.88 0.25 1.20 0.00 0.00 173.24 175.90 1x4s h LEU 39 N 2.07 0.94 -0.46 3.45 7.12 -1.98 -1.62 115.31 124.83 1x4s h LEU 39 Ca -0.29 0.02 0.09 0.00 0.13 0.00 0.00 57.88 57.83 1x4s h LEU 39 Cb 1.25 -0.18 -0.10 0.00 -0.53 0.00 0.00 40.66 41.10 1x4s h LEU 39 CO 0.38 0.57 -0.31 0.08 -0.13 0.00 0.00 178.44 179.03 1x4s h ARG 40 N 1.05 -0.20 -0.20 1.25 0.11 -1.99 -0.30 114.38 114.09 1x4s h ARG 40 Ca 0.44 0.01 -0.13 0.00 0.10 0.00 0.00 59.98 60.40 1x4s h ARG 40 Cb 0.30 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.42 1x4s h ARG 40 CO -0.19 -0.14 -0.44 0.00 0.10 0.00 0.00 179.97 179.31 1x4s h TYR 42 N 0.41 0.00 0.01 0.00 3.20 -0.12 0.35 116.97 120.82 1x4s h TYR 42 Ca 0.03 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.58 1x4s h TYR 42 Cb 0.93 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.15 1x4s h TYR 42 CO 0.03 0.00 -1.93 0.54 -1.64 0.00 0.00 178.16 175.16 1x4s n ARG 43 N -3.89 0.66 0.05 1.82 1.74 -0.79 -4.27 116.66 111.98 1x4s n ARG 43 Ca 0.08 0.21 -0.10 0.00 -0.77 0.00 0.00 57.85 57.28 1x4s n ARG 43 Cb 0.63 -1.71 -0.07 0.00 -1.02 0.00 0.00 32.46 30.29 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 0.80 -0.90 0.55 2.02 -0.61 -3.33 112.91 111.45 1x4s h THR 44 Ca -0.37 -1.15 0.13 0.00 0.77 0.00 0.00 66.41 65.79 1x4s h THR 44 Cb 2.07 1.36 -0.14 0.00 -1.74 0.00 0.00 68.15 69.70 1x4s h THR 44 CO 0.06 0.21 -0.38 0.00 0.37 0.00 0.00 175.52 175.79 1x4s n HIS 45 N -4.91 -0.03 -3.26 3.16 1.44 0.10 -4.79 115.22 106.93 1x4s n HIS 45 Ca -0.07 1.11 -0.00 0.00 -2.01 0.00 0.00 57.72 56.74 1x4s n HIS 45 Cb 0.26 -0.80 0.00 0.00 0.12 0.00 0.00 29.99 29.57 1x4s n HIS 45 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1x4s n GLY 46 N -1.40 2.45 2.29 -1.39 0.00 -1.25 -5.07 105.19 100.83 1x4s n GLY 46 Ca 0.08 -1.18 -0.27 0.00 0.00 0.00 0.00 46.02 44.66 1x4s n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x4s n THR 47 N -0.02 2.53 -0.30 2.61 -2.24 -1.26 -4.51 114.28 111.10 1x4s n THR 47 Ca -0.00 -4.53 -0.09 0.00 -2.27 0.00 0.00 64.05 57.15 1x4s n THR 47 Cb 0.02 -1.21 0.04 0.00 -2.10 0.00 0.00 70.33 67.08 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 0.42 1.98 -0.27 0.00 0.00 -1.26 -4.59 120.51 116.78 1x4s n ALA 49 Ca 0.19 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.87 1x4s n ALA 49 Cb 0.69 0.34 0.56 0.00 0.00 0.00 0.00 19.45 21.04 1x4s n ALA 49 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1x4s h GLU 50 N 0.00 0.30 -2.28 0.00 4.81 -1.98 -3.05 114.58 112.38 1x4s h GLU 50 Ca 0.00 -0.02 -0.58 0.00 -0.13 0.00 0.00 59.36 58.63 1x4s h GLU 50 Cb 0.97 -0.07 -0.40 0.00 0.63 0.00 0.00 28.75 29.88 1x4s h GLU 50 CO 0.00 0.20 -0.88 0.09 -0.73 0.00 0.00 179.01 177.69 1x4s n ASN 51 N -4.49 1.29 0.00 1.04 3.02 -1.26 -4.84 115.26 110.01 1x4s n ASN 51 Ca 0.22 -2.87 0.00 0.00 -0.03 0.00 0.00 54.58 51.90 1x4s n ASN 51 Cb 0.86 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 1x4s n ASN 51 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1x4s n PHE 52 N 1.67 0.00 -2.35 3.10 1.16 -1.15 -5.04 117.46 114.84 1x4s n PHE 52 Ca 0.25 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.59 1x4s n PHE 52 Cb 0.46 0.00 0.06 0.00 -1.61 0.00 0.00 39.48 38.40 1x4s n PHE 52 CO 0.00 0.00 0.00 1.52 -1.87 0.00 0.00 176.76 176.41 1x4s s TYR 53 N -1.56 2.78 -0.50 2.97 1.13 -1.26 -5.07 117.35 115.84 1x4s s TYR 53 Ca 0.00 0.25 0.03 0.00 -1.41 0.00 0.00 57.07 55.94 1x4s s TYR 53 Cb 0.00 -3.07 0.14 0.00 -1.10 0.00 0.00 41.96 37.93 1x4s s TYR 53 CO 0.00 -1.29 0.28 -1.12 -2.51 0.00 0.00 175.55 170.91 1x4s s SER 54 N -4.51 3.99 0.43 -0.18 0.01 -1.26 -5.11 113.70 107.07 1x4s s SER 54 Ca 0.60 -2.96 0.00 0.00 1.31 0.00 0.00 55.95 54.90 1x4s s SER 54 Cb -0.10 -1.34 0.00 0.00 0.21 0.00 0.00 66.02 64.78 1x4s s SER 54 CO 0.43 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.46 1x4s n GLY 55 N 3.14 -3.09 3.55 3.44 0.00 -1.26 -4.75 105.19 106.22 1x4s n GLY 55 Ca 0.09 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.28 2.59 -0.13 1.61 0.04 -1.26 -4.75 135.00 131.82 1x4s s PRO 56 Ca 0.00 0.25 -0.14 0.00 0.04 0.00 0.00 61.00 61.15 1x4s s PRO 56 Cb 0.00 -4.66 -0.05 0.00 0.04 0.00 0.00 34.50 29.83 1x4s s PRO 56 CO 0.00 -3.00 -0.27 0.45 0.04 0.00 0.00 177.00 174.22 1x4s n SER 57 N 13.27 1.73 -4.56 6.66 2.88 -1.26 -4.81 113.62 127.52 1x4s n SER 57 Ca 0.28 0.28 -0.42 0.00 -1.33 0.00 0.00 58.87 57.69 1x4s n SER 57 Cb 0.50 -0.65 -0.02 0.00 -0.75 0.00 0.00 64.21 63.29 1x4s n SER 57 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4s s SER 58 N -6.06 6.66 0.00 -3.46 0.01 -1.26 -5.32 113.70 104.28 1x4s s SER 58 Ca -0.23 -1.94 0.00 0.00 1.31 0.00 0.00 55.95 55.08 1x4s s SER 58 Cb 0.04 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1x4s s SER 58 CO 0.34 -1.32 0.00 0.61 0.41 0.00 0.00 173.24 173.28