#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 2.01 0.38 1.61 0.01 -1.26 -5.15 113.70 111.30 1x4s s SER 2 Ca 0.00 -0.41 0.04 0.00 1.31 0.00 0.00 55.95 56.89 1x4s s SER 2 Cb 0.00 -0.18 -0.06 0.00 0.21 0.00 0.00 66.02 65.99 1x4s s SER 2 CO 0.00 0.14 0.05 -0.94 0.41 0.00 0.00 173.24 172.90 1x4s s SER 3 N -0.85 3.00 -0.40 2.44 1.04 -1.26 -5.10 113.70 112.57 1x4s s SER 3 Ca 0.05 -1.44 0.09 0.00 0.48 0.00 0.00 55.95 55.13 1x4s s SER 3 Cb -0.08 -0.03 0.30 0.00 0.10 0.00 0.00 66.02 66.32 1x4s s SER 3 CO 0.01 -0.63 0.70 0.61 0.98 0.00 0.00 173.24 174.90 1x4s n GLY 4 N -0.85 2.76 3.62 7.32 0.00 -1.26 -5.07 105.19 111.71 1x4s n GLY 4 Ca -0.05 -1.34 -0.02 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.80 -1.08 -0.15 1.61 0.01 -1.26 -5.06 113.70 105.98 1x4s s SER 5 Ca 0.36 1.53 -0.26 0.00 1.31 0.00 0.00 55.95 58.89 1x4s s SER 5 Cb 0.27 2.21 -0.23 0.00 0.21 0.00 0.00 66.02 68.47 1x4s s SER 5 CO -0.10 -0.22 0.64 0.28 0.41 0.00 0.00 173.24 174.25 1x4s h SER 6 N 7.98 0.00 -2.73 2.44 0.02 -2.06 -3.38 113.55 115.81 1x4s h SER 6 Ca -0.18 -0.87 -0.80 0.00 -0.84 0.00 0.00 61.79 59.10 1x4s h SER 6 Cb 1.10 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.36 1x4s h SER 6 CO 0.10 1.04 0.79 0.61 -1.14 0.00 0.00 176.83 178.24 1x4s n GLY 7 N 1.59 5.41 3.95 -3.77 0.00 -1.26 -5.01 105.19 106.09 1x4s n GLY 7 Ca -0.13 -2.65 -0.23 0.00 0.00 0.00 0.00 46.02 43.01 1x4s n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1x4s s MET 8 N -3.17 3.48 0.16 1.61 -2.45 -1.26 -5.11 119.30 112.56 1x4s s MET 8 Ca 0.33 -0.46 0.03 0.00 -1.25 0.00 0.00 55.69 54.35 1x4s s MET 8 Cb 0.09 -2.75 -0.03 0.00 1.25 0.00 0.00 34.83 33.38 1x4s s MET 8 CO 0.05 0.26 0.28 -1.21 1.05 0.00 0.00 175.02 175.46 1x4s s GLU 9 N -4.08 3.40 -0.20 4.11 0.41 -1.26 -5.05 118.70 116.02 1x4s s GLU 9 Ca 0.38 -0.65 -0.29 0.00 -0.41 0.00 0.00 54.97 54.00 1x4s s GLU 9 Cb -0.10 -2.93 -0.03 0.00 -1.78 0.00 0.00 34.13 29.30 1x4s s GLU 9 CO 0.33 0.50 1.60 -1.25 -0.49 0.00 0.00 175.26 175.95 1x4s s PRO 10 N -3.35 3.85 0.07 0.39 0.04 -1.26 -4.93 135.00 129.82 1x4s s PRO 10 Ca 0.34 1.71 -0.15 0.00 0.04 0.00 0.00 61.00 62.94 1x4s s PRO 10 Cb -0.11 -4.02 0.05 0.00 0.04 0.00 0.00 34.50 30.47 1x4s s PRO 10 CO 0.28 -1.22 0.69 0.00 0.04 0.00 0.00 177.00 176.79 1x4s n ALA 11 N 8.22 -1.85 -2.85 8.56 0.00 -1.26 -4.96 120.51 126.38 1x4s n ALA 11 Ca 0.18 -0.58 -0.10 0.00 0.00 0.00 0.00 53.44 52.94 1x4s n ALA 11 Cb 0.45 0.25 -0.08 0.00 0.00 0.00 0.00 19.45 20.08 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 -3.04 0.00 -0.32 0.00 0.00 -1.03 -4.99 107.32 97.94 1x4s s GLY 12 Ca 0.16 -0.27 -0.29 0.00 0.00 0.00 0.00 44.72 44.32 1x4s s GLY 12 CO 0.02 -0.45 1.68 2.56 0.00 0.00 0.00 173.10 176.91 1x4s s PRO 13 N -2.80 3.48 -0.57 2.90 0.04 -1.26 0.21 135.00 137.01 1x4s s PRO 13 Ca -0.03 1.38 -0.33 0.00 0.04 0.00 0.00 61.00 62.06 1x4s s PRO 13 Cb 0.00 -4.13 -0.14 0.00 0.04 0.00 0.00 34.50 30.28 1x4s s PRO 13 CO -0.05 -1.67 2.38 0.00 0.04 0.00 0.00 177.00 177.69 1x4s h GLY 15 N 13.76 0.00 0.40 0.00 0.00 -1.86 -3.29 103.07 112.08 1x4s h GLY 15 Ca -0.19 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.36 1x4s h GLY 15 CO 1.16 0.00 0.59 0.74 0.00 0.00 0.00 176.54 179.02 1x4s h PHE 16 N 0.00 0.00 -4.23 5.60 0.04 -1.86 -3.42 116.94 113.07 1x4s h PHE 16 Ca -0.05 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.19 1x4s h PHE 16 Cb 1.68 0.00 0.16 0.00 2.20 0.00 0.00 35.95 39.99 1x4s h PHE 16 CO 0.00 0.00 0.33 0.00 -0.60 0.00 0.00 178.31 178.04 1x4s s PRO 18 N -4.31 4.43 -0.08 0.00 0.04 -1.26 -4.88 135.00 128.94 1x4s s PRO 18 Ca 0.69 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.48 1x4s s PRO 18 Cb -0.25 -3.16 -0.15 0.00 0.04 0.00 0.00 34.50 30.99 1x4s s PRO 18 CO 0.51 -0.14 0.86 0.00 0.04 0.00 0.00 177.00 178.27 1x4s n ALA 19 N 1.80 -2.43 0.00 8.56 0.00 -1.26 -0.31 120.51 126.87 1x4s n ALA 19 Ca 0.03 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1x4s n ALA 19 Cb 0.43 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 1.47 2.99 1.91 0.00 0.00 -1.26 -4.85 105.19 105.45 1x4s n GLY 20 Ca 0.16 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 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 1.73 -2.51 1.61 1.02 0.58 -4.91 120.64 118.15 1x4s n GLU 21 Ca 0.00 -1.25 -0.43 0.00 -0.02 0.00 0.00 57.16 55.46 1x4s n GLU 21 Cb 0.00 -1.60 -0.02 0.00 -0.02 0.00 0.00 31.44 29.80 1x4s n GLU 21 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1x4s s VAL 22 N -1.37 4.42 0.20 2.62 1.01 -1.26 -4.58 120.40 121.44 1x4s s VAL 22 Ca 0.32 1.70 0.11 0.00 0.00 0.00 0.00 61.98 64.11 1x4s s VAL 22 Cb 0.22 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1x4s s VAL 22 CO -0.04 -0.19 -0.20 -1.10 0.00 0.00 0.00 175.10 173.57 1x4s s GLN 23 N 3.45 1.65 -0.57 2.72 -0.21 -1.26 -4.95 119.66 120.49 1x4s s GLN 23 Ca 0.51 -1.49 -0.27 0.00 0.02 0.00 0.00 55.36 54.13 1x4s s GLN 23 Cb -0.19 -1.91 -0.02 0.00 1.00 0.00 0.00 33.01 31.90 1x4s s GLN 23 CO 0.12 0.40 1.84 -1.25 -2.12 0.00 0.00 175.29 174.28 1x4s s PRO 24 N -2.77 2.76 -0.81 2.91 0.04 -1.26 0.11 135.00 135.97 1x4s s PRO 24 Ca 0.22 0.73 -0.25 0.00 0.04 0.00 0.00 61.00 61.74 1x4s s PRO 24 Cb -0.08 -4.35 -0.08 0.00 0.04 0.00 0.00 34.50 30.03 1x4s s PRO 24 CO 0.11 -2.57 2.14 0.00 0.04 0.00 0.00 177.00 176.72 1x4s s ALA 25 N 8.64 1.36 0.20 8.56 0.00 0.57 -4.72 121.76 136.36 1x4s s ALA 25 Ca 0.69 -1.06 0.26 0.00 0.00 0.00 0.00 51.96 51.84 1x4s s ALA 25 Cb -0.14 -4.53 1.09 0.00 0.00 0.00 0.00 23.12 19.54 1x4s s ALA 25 CO 0.23 -5.11 1.90 0.00 0.00 0.00 0.00 175.76 172.78 1x4s h ARG 26 N 12.75 0.00 -6.01 0.00 3.08 -1.78 -2.73 114.38 119.68 1x4s h ARG 26 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.49 1x4s h ARG 26 Cb 1.04 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.05 1x4s h ARG 26 CO 1.13 0.18 -0.30 0.71 -1.07 0.00 0.00 179.97 180.62 1x4s s TYR 27 N -3.77 1.76 -0.27 3.04 2.02 -1.23 -4.88 117.35 114.03 1x4s s TYR 27 Ca -0.00 -0.78 -0.24 0.00 -0.37 0.00 0.00 57.07 55.67 1x4s s TYR 27 Cb 0.11 -1.97 0.08 0.00 -0.40 0.00 0.00 41.96 39.78 1x4s s TYR 27 CO 0.61 -0.47 0.76 0.99 -1.57 0.00 0.00 175.55 175.88 1x4s s THR 28 N -2.72 0.00 -0.08 -0.71 2.01 -1.26 -2.58 115.64 110.30 1x4s s THR 28 Ca 0.38 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.09 1x4s s THR 28 Cb -0.02 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.42 1x4s s THR 28 CO 0.23 0.00 2.03 0.00 -0.69 0.00 0.00 174.62 176.20 1x4s n PRO 30 N 8.00 0.49 -0.04 0.00 -0.04 -1.26 0.14 135.00 142.29 1x4s n PRO 30 Ca 0.23 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.65 1x4s n PRO 30 Cb 0.43 -1.16 -0.05 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.66 1.51 -1.11 0.54 5.12 -1.26 -4.76 116.66 116.03 1x4s n ARG 31 Ca 0.04 0.02 0.04 0.00 -1.93 0.00 0.00 57.85 56.02 1x4s n ARG 31 Cb 0.02 -1.17 0.06 0.00 -1.16 0.00 0.00 32.46 30.20 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 0.01 -0.97 -4.40 0.00 4.13 0.37 -4.85 115.26 109.54 1x4s n ASN 33 Ca 0.08 -0.82 -0.42 0.00 1.68 0.00 0.00 54.58 55.10 1x4s n ASN 33 Cb 0.97 -1.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.10 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 3.37 -0.32 5.41 0.00 -1.19 -4.73 121.76 120.32 1x4s s ALA 34 Ca 0.16 -1.76 -0.29 0.00 0.00 0.00 0.00 51.96 50.07 1x4s s ALA 34 Cb -0.09 -2.74 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 1x4s s ALA 34 CO 0.63 -1.45 1.68 -1.25 0.00 0.00 0.00 175.76 175.36 1x4s s PRO 35 N 1.60 3.49 0.07 0.00 0.04 -1.26 -0.40 135.00 138.54 1x4s s PRO 35 Ca 0.03 1.38 0.10 0.00 0.04 0.00 0.00 61.00 62.55 1x4s s PRO 35 Cb -0.20 -4.13 -0.03 0.00 0.04 0.00 0.00 34.50 30.19 1x4s s PRO 35 CO 0.08 -1.67 -0.26 1.52 0.04 0.00 0.00 177.00 176.70 1x4s s TYR 36 N 6.21 2.32 0.04 0.56 -0.85 -1.06 -4.27 117.35 120.31 1x4s s TYR 36 Ca 0.74 -0.40 -0.23 0.00 -0.52 0.00 0.00 57.07 56.67 1x4s s TYR 36 Cb -0.21 -1.35 -0.15 0.00 0.38 0.00 0.00 41.96 40.63 1x4s s TYR 36 CO 0.33 0.20 1.46 0.00 -1.52 0.00 0.00 175.55 176.02 1x4s n SER 38 N -4.83 -0.41 -0.27 0.00 2.88 -1.26 -4.55 113.62 105.17 1x4s n SER 38 Ca -0.06 -2.11 -0.06 0.00 -1.33 0.00 0.00 58.87 55.31 1x4s n SER 38 Cb 0.20 0.92 0.06 0.00 -0.75 0.00 0.00 64.21 64.64 1x4s n SER 38 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1x4s h LEU 39 N 0.00 1.06 -1.16 2.46 5.85 -1.98 -2.43 115.31 119.10 1x4s h LEU 39 Ca -0.12 -0.18 0.32 0.00 0.84 0.00 0.00 57.88 58.73 1x4s h LEU 39 Cb 0.62 -0.27 -0.13 0.00 0.37 0.00 0.00 40.66 41.24 1x4s h LEU 39 CO 0.18 0.95 0.65 0.08 -0.34 0.00 0.00 178.44 179.96 1x4s h ARG 40 N 1.10 0.33 0.00 1.25 0.11 -2.00 0.93 114.38 116.09 1x4s h ARG 40 Ca 0.25 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.27 1x4s h ARG 40 Cb 0.23 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.23 1x4s h ARG 40 CO -0.02 0.22 -0.82 0.00 0.10 0.00 0.00 179.97 179.45 1x4s h TYR 42 N 0.00 0.00 0.00 0.00 3.20 0.13 0.03 116.97 120.34 1x4s h TYR 42 Ca -0.03 0.00 -0.36 0.00 3.14 0.00 0.00 58.73 61.48 1x4s h TYR 42 Cb 1.14 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.34 1x4s h TYR 42 CO 0.00 0.13 -2.26 0.54 -1.64 0.00 0.00 178.16 174.93 1x4s n ARG 43 N -3.36 0.68 0.00 1.82 1.74 -0.68 -4.44 116.66 112.42 1x4s n ARG 43 Ca -0.00 0.07 -0.08 0.00 -0.77 0.00 0.00 57.85 57.07 1x4s n ARG 43 Cb 0.34 -1.58 -0.06 0.00 -1.02 0.00 0.00 32.46 30.14 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 0.00 0.71 -0.70 0.55 2.02 -1.44 -3.35 112.91 110.70 1x4s h THR 44 Ca -0.50 -1.32 0.10 0.00 0.77 0.00 0.00 66.41 65.46 1x4s h THR 44 Cb 2.17 1.28 -0.11 0.00 -1.74 0.00 0.00 68.15 69.75 1x4s h THR 44 CO 0.03 0.22 -0.30 0.00 0.37 0.00 0.00 175.52 175.84 1x4s n HIS 45 N -4.82 -0.03 -3.58 3.16 1.44 -0.01 -4.71 115.22 106.66 1x4s n HIS 45 Ca -0.06 0.86 -0.07 0.00 -2.01 0.00 0.00 57.72 56.44 1x4s n HIS 45 Cb 0.22 -0.73 -0.02 0.00 0.12 0.00 0.00 29.99 29.59 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 -3.40 -0.40 -1.17 -1.39 0.00 -1.26 -5.09 107.32 94.62 1x4s s GLY 46 Ca -0.09 0.71 -0.12 0.00 0.00 0.00 0.00 44.72 45.22 1x4s s GLY 46 CO 0.49 0.22 1.30 -0.51 0.00 0.00 0.00 173.10 174.60 1x4s s THR 47 N -3.20 5.46 -0.01 0.90 -4.23 -1.26 -4.57 115.64 108.72 1x4s s THR 47 Ca 0.07 -3.00 0.06 0.00 -1.18 0.00 0.00 61.69 57.65 1x4s s THR 47 Cb -0.01 -4.78 -0.10 0.00 1.34 0.00 0.00 72.50 68.95 1x4s s THR 47 CO -0.06 -1.44 0.13 0.00 -0.54 0.00 0.00 174.62 172.71 1x4s n ALA 49 N -1.78 4.15 -0.02 0.00 0.00 -1.26 -3.59 120.51 118.00 1x4s n ALA 49 Ca -0.02 -0.71 -0.01 0.00 0.00 0.00 0.00 53.44 52.70 1x4s n ALA 49 Cb 0.23 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.47 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 0.77 1.90 -1.62 0.00 -0.00 -1.26 -4.70 120.64 115.72 1x4s n GLU 50 Ca 0.13 -0.03 0.01 0.00 -0.00 0.00 0.00 57.16 57.27 1x4s n GLU 50 Cb 0.59 -1.19 0.07 0.00 -0.00 0.00 0.00 31.44 30.91 1x4s n GLU 50 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1x4s n ASN 51 N -2.09 1.67 -0.04 -1.84 6.94 -1.24 -4.84 115.26 113.82 1x4s n ASN 51 Ca -0.08 -2.61 -0.09 0.00 -0.02 0.00 0.00 54.58 51.77 1x4s n ASN 51 Cb 0.55 -0.39 -0.03 0.00 -2.36 0.00 0.00 39.78 37.54 1x4s n ASN 51 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 1x4s n PHE 52 N -0.21 0.00 -1.10 -2.53 -0.00 -1.25 -5.04 117.46 107.32 1x4s n PHE 52 Ca 0.13 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 57.25 1x4s n PHE 52 Cb 0.96 -0.32 0.13 0.00 -0.00 0.00 0.00 39.48 40.24 1x4s n PHE 52 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.76 178.28 1x4s s TYR 53 N -2.20 1.82 -0.36 -5.13 1.13 -1.26 -4.93 117.35 106.41 1x4s s TYR 53 Ca -0.13 1.68 -0.27 0.00 -1.41 0.00 0.00 57.07 56.94 1x4s s TYR 53 Cb 0.05 -3.46 0.02 0.00 -1.10 0.00 0.00 41.96 37.46 1x4s s TYR 53 CO 0.17 -2.81 1.00 -1.12 -2.51 0.00 0.00 175.55 170.28 1x4s s SER 54 N -2.23 6.77 0.28 -0.18 0.01 -1.26 -5.02 113.70 112.06 1x4s s SER 54 Ca 0.72 0.75 0.00 0.00 1.31 0.00 0.00 55.95 58.73 1x4s s SER 54 Cb -0.28 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.45 1x4s s SER 54 CO 0.51 -0.90 0.01 0.61 0.41 0.00 0.00 173.24 173.88 1x4s n GLY 55 N 4.23 3.81 3.51 3.44 0.00 -1.26 -5.15 105.19 113.77 1x4s n GLY 55 Ca 0.09 -2.30 -0.30 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.71 -3.16 -1.90 1.61 -0.04 -1.26 -4.97 135.00 124.56 1x4s n PRO 56 Ca -0.11 -1.75 -0.33 0.00 -0.04 0.00 0.00 63.50 61.27 1x4s n PRO 56 Cb 0.35 -1.64 0.04 0.00 -0.04 0.00 0.00 33.50 32.21 1x4s n PRO 56 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x4s n SER 57 N -4.88 6.50 -0.30 3.54 7.64 -1.26 -4.55 113.62 120.31 1x4s n SER 57 Ca 0.15 -3.78 0.12 0.00 1.01 0.00 0.00 58.87 56.37 1x4s n SER 57 Cb 0.59 -0.78 0.17 0.00 -1.01 0.00 0.00 64.21 63.18 1x4s n SER 57 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x4s n SER 58 N -0.66 1.38 0.00 6.43 3.41 -1.26 -5.39 113.62 117.53 1x4s n SER 58 Ca 0.51 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 1x4s n SER 58 Cb 0.57 0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 1x4s n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49