#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uuy s THR 25 N 0.00 5.14 -0.21 0.00 -4.23 -1.26 -4.93 115.64 110.15 2uuy s THR 25 Ca 0.00 0.10 -0.14 0.00 -1.18 0.00 0.00 61.69 60.47 2uuy s THR 25 Cb 0.00 -3.38 -0.04 0.00 1.34 0.00 0.00 72.50 70.42 2uuy s THR 25 CO 0.00 0.37 0.32 -0.69 -0.54 0.00 0.00 174.62 174.08 2uuy s VAL 26 N 0.96 5.26 0.61 2.29 1.01 -1.26 -5.02 120.40 124.25 2uuy s VAL 26 Ca 0.06 0.54 -0.16 0.00 0.00 0.00 0.00 61.98 62.42 2uuy s VAL 26 Cb -0.13 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2uuy s VAL 26 CO 0.03 0.30 1.09 -2.16 0.00 0.00 0.00 175.10 174.36 2uuy s PRO 27 N 1.12 3.13 0.28 2.72 0.04 -1.26 -4.94 135.00 136.08 2uuy s PRO 27 Ca 0.16 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 2uuy s PRO 27 Cb -0.14 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 32.28 2uuy s PRO 27 CO 0.06 -0.99 1.45 -0.89 0.04 0.00 0.00 177.00 176.68 2uuy n ILE 28 N -2.01 1.17 0.00 0.56 5.41 -1.26 -1.98 119.36 121.25 2uuy n ILE 28 Ca 0.10 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.56 2uuy n ILE 28 Cb 0.52 -1.66 0.00 0.00 -0.71 0.00 0.00 39.64 37.79 2uuy n ILE 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2uuy n GLY 29 N 1.88 2.13 3.76 7.39 0.00 -1.26 -5.06 105.19 114.04 2uuy n GLY 29 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2uuy n GLY 29 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2uuy s TRP 30 N -2.40 2.60 -0.34 1.61 -0.11 -0.84 -4.95 118.94 114.51 2uuy s TRP 30 Ca 0.00 1.43 -0.25 0.00 1.22 0.00 0.00 56.10 58.50 2uuy s TRP 30 Cb 0.00 -3.63 0.01 0.00 -1.50 0.00 0.00 33.47 28.35 2uuy s TRP 30 CO 0.00 -2.26 0.89 -1.12 -4.62 0.00 0.00 176.95 169.84 2uuy s SER 31 N -1.04 6.70 0.50 5.86 0.01 -1.26 -5.02 113.70 119.45 2uuy s SER 31 Ca 0.66 0.66 0.05 0.00 1.31 0.00 0.00 55.95 58.63 2uuy s SER 31 Cb -0.36 -2.45 0.04 0.00 0.21 0.00 0.00 66.02 63.45 2uuy s SER 31 CO 0.44 -0.77 0.69 -1.61 0.41 0.00 0.00 173.24 172.40 2uuy s GLU 32 N 3.30 2.59 0.50 12.44 2.02 -1.26 -5.05 118.70 133.25 2uuy s GLU 32 Ca 0.37 -1.13 -0.23 0.00 0.02 0.00 0.00 54.97 54.00 2uuy s GLU 32 Cb -0.13 -2.63 -0.06 0.00 0.10 0.00 0.00 34.13 31.41 2uuy s GLU 32 CO 0.16 -0.57 1.39 -2.14 0.02 0.00 0.00 175.26 174.12 2uuy s PRO 33 N -4.58 3.40 0.10 0.39 0.02 -1.26 -4.90 135.00 128.17 2uuy s PRO 33 Ca 0.57 2.31 -0.31 0.00 0.02 0.00 0.00 61.00 63.60 2uuy s PRO 33 Cb -0.09 -2.44 -0.08 0.00 0.02 0.00 0.00 34.50 31.90 2uuy s PRO 33 CO 0.36 -1.01 1.53 0.08 -0.33 0.00 0.00 177.00 177.64 2uuy s VAL 34 N -1.26 3.04 0.10 3.83 1.01 -1.26 -4.96 120.40 120.91 2uuy s VAL 34 Ca 0.67 0.65 -0.31 0.00 0.00 0.00 0.00 61.98 62.98 2uuy s VAL 34 Cb -0.42 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 2uuy s VAL 34 CO 0.52 0.03 1.35 -0.54 0.00 0.00 0.00 175.10 176.45 2uuy s LYS 35 N 1.77 4.34 0.57 2.72 1.02 -1.26 -4.91 119.74 124.00 2uuy s LYS 35 Ca 0.69 2.01 -0.18 0.00 0.02 0.00 0.00 55.97 58.51 2uuy s LYS 35 Cb -0.39 -3.27 -0.05 0.00 -0.52 0.00 0.00 37.83 33.60 2uuy s LYS 35 CO 0.31 -0.40 1.09 0.20 -0.92 0.00 0.00 175.35 175.63 2uuy s GLY 36 N 1.10 2.37 0.30 -3.33 0.00 -0.84 -4.96 107.32 101.96 2uuy s GLY 36 Ca 0.63 0.61 0.16 0.00 0.00 0.00 0.00 44.72 46.12 2uuy s GLY 36 CO 0.30 0.95 1.56 1.41 0.00 0.00 0.00 173.10 177.32 2uuy h LEU 37 N 0.82 0.00-10.26 0.66 3.38 -1.95 -3.42 115.31 104.53 2uuy h LEU 37 Ca -0.48 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 56.99 2uuy h LEU 37 Cb 1.24 0.00 0.18 0.00 0.09 0.00 0.00 40.66 42.17 2uuy h LEU 37 CO 0.57 0.51 0.20 0.00 0.09 0.00 0.00 178.44 179.81 2uuy n LYS 39 N -4.21 2.22 -1.91 0.00 5.02 -1.26 -4.43 118.16 113.59 2uuy n LYS 39 Ca 0.09 -3.27 -0.32 0.00 -2.02 0.00 0.00 58.31 52.79 2uuy n LYS 39 Cb 0.53 -2.01 0.01 0.00 -0.02 0.00 0.00 35.03 33.55 2uuy n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2uuy s ALA 40 N -3.38 2.88 -0.70 7.82 0.00 -1.26 -4.98 121.76 122.14 2uuy s ALA 40 Ca 0.51 0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.64 2uuy s ALA 40 Cb 0.44 -3.15 0.19 0.00 0.00 0.00 0.00 23.12 20.60 2uuy s ALA 40 CO 0.02 -0.80 0.58 -2.13 0.00 0.00 0.00 175.76 173.43 2uuy n ARG 41 N -2.48 2.06 -2.44 0.00 0.00 -1.26 -2.72 116.66 109.81 2uuy n ARG 41 Ca 0.07 -4.54 -0.33 0.00 -0.00 0.00 0.00 57.85 53.05 2uuy n ARG 41 Cb 0.54 -2.29 -0.03 0.00 0.00 0.00 0.00 32.46 30.67 2uuy n ARG 41 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2uuy s PHE 42 N -1.72 3.24 -0.30 -0.14 0.08 -0.15 -4.65 117.98 114.33 2uuy s PHE 42 Ca 0.29 1.53 -0.09 0.00 0.12 0.00 0.00 56.93 58.77 2uuy s PHE 42 Cb 0.00 -2.90 -0.01 0.00 -0.57 0.00 0.00 43.02 39.54 2uuy s PHE 42 CO -0.13 -0.56 0.14 0.99 -0.10 0.00 0.00 175.22 175.57 2uuy s THR 43 N -2.38 4.60 0.11 0.64 2.01 -1.26 -1.38 115.64 117.99 2uuy s THR 43 Ca 0.62 -0.36 0.07 0.00 0.31 0.00 0.00 61.69 62.33 2uuy s THR 43 Cb -0.12 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.04 2uuy s THR 43 CO 0.26 0.11 -0.17 -0.13 -0.69 0.00 0.00 174.62 174.00 2uuy s ARG 44 N 1.62 1.02 -0.18 4.92 1.81 -0.02 -4.74 118.95 123.39 2uuy s ARG 44 Ca 0.05 -1.15 -0.02 0.00 -1.72 0.00 0.00 55.73 52.89 2uuy s ARG 44 Cb -0.17 -1.09 -0.01 0.00 -0.45 0.00 0.00 34.95 33.23 2uuy s ARG 44 CO 0.06 0.24 -0.10 0.71 -0.68 0.00 0.00 175.30 175.53 2uuy s TYR 45 N -1.55 2.88 -0.00 -0.53 2.02 0.36 -0.26 117.35 120.27 2uuy s TYR 45 Ca 0.06 -0.87 0.08 0.00 -0.37 0.00 0.00 57.07 55.97 2uuy s TYR 45 Cb -0.08 -1.97 -0.02 0.00 -0.40 0.00 0.00 41.96 39.49 2uuy s TYR 45 CO 0.04 -0.41 -0.24 0.71 -1.57 0.00 0.00 175.55 174.07 2uuy s TYR 46 N 0.94 2.14 -0.27 2.71 2.02 -0.53 -0.74 117.35 123.62 2uuy s TYR 46 Ca -0.02 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 55.99 2uuy s TYR 46 Cb -0.15 -1.36 0.00 0.00 -0.40 0.00 0.00 41.96 40.06 2uuy s TYR 46 CO -0.00 0.00 1.26 0.00 -1.57 0.00 0.00 175.55 175.24 2uuy s MET 48 N 3.96 2.39 5.26 0.00 -1.94 0.75 -4.97 119.30 124.76 2uuy s MET 48 Ca 0.54 -2.68 0.00 0.00 -1.71 0.00 0.00 55.69 51.84 2uuy s MET 48 Cb -0.17 -3.57 0.00 0.00 2.01 0.00 0.00 34.83 33.10 2uuy s MET 48 CO 0.20 -1.16 0.00 0.41 -0.01 0.00 0.00 175.02 174.46 2uuy n GLY 49 N 3.15 1.61 0.10 -0.03 0.00 -1.26 -3.30 105.19 105.46 2uuy n GLY 49 Ca 0.09 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.18 2uuy n GLY 49 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2uuy h ASN 50 N 0.00 0.00 -5.12 1.61 2.35 -1.95 -3.37 115.58 109.11 2uuy h ASN 50 Ca 0.00 -0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.57 2uuy h ASN 50 Cb 0.00 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 38.21 2uuy h ASN 50 CO 0.00 0.03 -0.46 0.00 -1.65 0.00 0.00 177.43 175.35 2uuy s LYS 53 N -0.57 1.31 0.17 0.00 2.20 -0.05 -4.65 119.74 118.15 2uuy s LYS 53 Ca 0.30 -1.05 -0.30 0.00 -0.36 0.00 0.00 55.97 54.55 2uuy s LYS 53 Cb -0.19 -1.50 -0.07 0.00 -1.51 0.00 0.00 37.83 34.56 2uuy s LYS 53 CO 0.17 0.37 0.99 0.08 -0.36 0.00 0.00 175.35 176.60 2uuy s VAL 54 N -0.95 4.20 -0.05 4.02 1.01 -1.26 -1.45 120.40 125.92 2uuy s VAL 54 Ca 0.08 1.97 0.04 0.00 0.00 0.00 0.00 61.98 64.06 2uuy s VAL 54 Cb -0.09 -4.26 -0.00 0.00 0.00 0.00 0.00 36.38 32.03 2uuy s VAL 54 CO 0.03 0.37 -0.17 -0.31 0.00 0.00 0.00 175.10 175.02 2uuy s TYR 55 N -0.48 1.68 -0.17 5.22 2.02 0.64 -4.97 117.35 121.29 2uuy s TYR 55 Ca 0.45 -0.50 0.01 0.00 -0.37 0.00 0.00 57.07 56.66 2uuy s TYR 55 Cb -0.26 -1.14 0.02 0.00 -0.40 0.00 0.00 41.96 40.19 2uuy s TYR 55 CO 0.32 -0.18 -0.17 -1.21 -1.57 0.00 0.00 175.55 172.74 2uuy s GLU 56 N 0.11 2.68 0.00 -0.62 2.02 -1.26 -0.84 118.70 120.78 2uuy s GLU 56 Ca -0.05 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.18 2uuy s GLU 56 Cb -0.12 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.69 2uuy s GLU 56 CO 0.02 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.47 2uuy n GLY 57 N 4.67 -0.02 3.12 -1.39 0.00 -0.48 -4.91 105.19 106.18 2uuy n GLY 57 Ca -0.19 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 2uuy n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uuy s TYR 59 N 1.21 2.57 -0.29 0.00 2.02 -1.26 -1.98 117.35 119.62 2uuy s TYR 59 Ca 0.42 -1.11 0.11 0.00 -0.37 0.00 0.00 57.07 56.12 2uuy s TYR 59 Cb 0.05 -1.73 -0.15 0.00 -0.40 0.00 0.00 41.96 39.73 2uuy s TYR 59 CO 0.00 -0.46 0.37 0.25 -1.57 0.00 0.00 175.55 174.14 2uuy n THR 60 N 3.65 0.00 -0.97 -0.71 -2.24 -1.26 -4.85 114.28 107.90 2uuy n THR 60 Ca -0.19 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2uuy n THR 60 Cb 0.53 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 2uuy n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2uuy n GLY 61 N 1.54 0.01 7.00 3.38 0.00 -1.26 -4.94 105.19 110.92 2uuy n GLY 61 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2uuy n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uuy n GLY 62 N 5.00 1.10 3.19 -0.02 0.00 -1.26 -4.75 105.19 108.44 2uuy n GLY 62 Ca 0.00 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 2uuy n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2uuy s TYR 63 N 0.00 1.50 -0.42 1.61 2.02 0.08 -4.90 117.35 117.24 2uuy s TYR 63 Ca 0.00 -0.35 0.23 0.00 -0.37 0.00 0.00 57.07 56.57 2uuy s TYR 63 Cb 0.00 -0.90 0.31 0.00 -0.40 0.00 0.00 41.96 40.98 2uuy s TYR 63 CO 0.00 0.06 1.58 0.66 -1.57 0.00 0.00 175.55 176.27 2uuy h SER 64 N 4.98 0.00 -3.37 2.29 4.64 -1.87 0.10 113.55 120.32 2uuy h SER 64 Ca -0.40 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.27 2uuy h SER 64 Cb 1.17 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.01 2uuy h SER 64 CO 0.44 0.02 -0.73 -0.13 -0.87 0.00 0.00 176.83 175.55 2uuy s ARG 65 N -3.21 3.38 0.24 4.77 3.00 -1.26 -4.82 118.95 121.06 2uuy s ARG 65 Ca 0.07 -0.63 -0.04 0.00 0.00 0.00 0.00 55.73 55.12 2uuy s ARG 65 Cb 0.05 -2.69 0.42 0.00 0.00 0.00 0.00 34.95 32.73 2uuy s ARG 65 CO 0.68 0.27 1.78 1.98 0.00 0.00 0.00 175.30 180.01 2uuy h MET 66 N 6.55 0.65 -0.00 3.54 1.85 -1.95 -2.33 114.93 123.24 2uuy h MET 66 Ca -0.29 -0.04 -0.08 0.00 -0.61 0.00 0.00 59.70 58.67 2uuy h MET 66 Cb 1.20 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 33.07 2uuy h MET 66 CO 0.57 0.43 -0.39 0.78 -0.40 0.00 0.00 176.91 177.91 2uuy h GLY 67 N 0.67 0.01 1.24 1.39 0.00 -1.99 0.11 103.07 104.49 2uuy h GLY 67 Ca 0.40 -0.01 -0.18 0.00 0.00 0.00 0.00 47.33 47.54 2uuy h GLY 67 CO -0.29 0.00 -0.56 0.83 0.00 0.00 0.00 176.54 176.52 2uuy h GLU 68 N 0.00 0.80 -0.17 4.80 4.39 -1.86 -2.42 114.58 120.13 2uuy h GLU 68 Ca -0.00 -0.51 -0.00 0.00 0.34 0.00 0.00 59.36 59.18 2uuy h GLU 68 Cb 0.69 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2uuy h GLU 68 CO 0.05 1.14 0.10 0.00 -1.16 0.00 0.00 179.01 179.14 2uuy h ALA 70 N 1.00 1.34 0.00 0.00 0.00 -0.69 0.20 119.26 121.11 2uuy h ALA 70 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2uuy h ALA 70 Cb 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2uuy h ALA 70 CO -0.01 0.54 0.00 2.89 0.00 0.00 0.00 179.25 182.67 2uuy n ARG 71 N -4.36 0.00 -0.72 0.00 1.85 -0.92 -2.21 116.66 110.29 2uuy n ARG 71 Ca 0.07 0.14 -0.01 0.00 -1.00 0.00 0.00 57.85 57.05 2uuy n ARG 71 Cb 0.10 -1.50 0.23 0.00 -1.05 0.00 0.00 32.46 30.24 2uuy n ARG 71 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2uuy n ASN 72 N -1.50 3.35 -3.73 2.89 3.02 0.03 -4.97 115.26 114.36 2uuy n ASN 72 Ca 0.05 -3.42 -0.16 0.00 -0.03 0.00 0.00 54.58 51.02 2uuy n ASN 72 Cb 0.25 -0.63 -0.16 0.00 -0.61 0.00 0.00 39.78 38.63 2uuy n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2uuy s PRO 74 N 1.53 0.76 0.00 0.00 0.04 -1.26 -4.86 135.00 131.21 2uuy s PRO 74 Ca -0.04 0.90 0.00 0.00 0.04 0.00 0.00 61.00 61.90 2uuy s PRO 74 Cb -0.12 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2uuy s PRO 74 CO -0.04 -2.61 0.00 0.00 0.04 0.00 0.00 177.00 174.39