#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jup s ALA 2 N 0.00 2.91 0.22 4.61 0.00 -1.26 -5.11 121.76 123.13 2jup s ALA 2 Ca 0.00 -2.10 -0.30 0.00 0.00 0.00 0.00 51.96 49.55 2jup s ALA 2 Cb 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 23.12 23.05 2jup s ALA 2 CO 0.00 0.03 1.38 0.95 0.00 0.00 0.00 175.76 178.12 2jup s THR 3 N -2.68 2.94 -0.74 0.00 -4.23 -1.26 -4.95 115.64 104.70 2jup s THR 3 Ca 0.33 0.77 -0.21 0.00 -1.18 0.00 0.00 61.69 61.40 2jup s THR 3 Cb 0.04 -3.49 0.10 0.00 1.34 0.00 0.00 72.50 70.48 2jup s THR 3 CO 0.16 0.11 0.98 0.00 -0.54 0.00 0.00 174.62 175.34 2jup s ALA 4 N 0.14 3.24 -0.29 3.99 0.00 -1.26 -4.99 121.76 122.59 2jup s ALA 4 Ca 0.59 -2.22 -0.29 0.00 0.00 0.00 0.00 51.96 50.03 2jup s ALA 4 Cb -0.39 -3.88 0.01 0.00 0.00 0.00 0.00 23.12 18.86 2jup s ALA 4 CO 0.40 -2.79 1.17 0.54 0.00 0.00 0.00 175.76 175.08 2jup s VAL 5 N 3.39 4.36 0.87 0.00 0.11 -1.26 -4.82 120.40 123.05 2jup s VAL 5 Ca 0.24 1.58 -0.11 0.00 -2.93 0.00 0.00 61.98 60.76 2jup s VAL 5 Cb -0.14 -4.27 0.16 0.00 -1.53 0.00 0.00 36.38 30.61 2jup s VAL 5 CO 0.03 -0.42 1.21 -0.44 -3.33 0.00 0.00 175.10 172.14 2jup s SER 6 N 2.06 3.64 -0.45 3.54 0.01 -1.26 -4.97 113.70 116.26 2jup s SER 6 Ca 0.50 0.13 -0.29 0.00 1.31 0.00 0.00 55.95 57.61 2jup s SER 6 Cb -0.15 -0.33 0.02 0.00 0.21 0.00 0.00 66.02 65.77 2jup s SER 6 CO 0.17 -2.38 1.33 -1.61 0.41 0.00 0.00 173.24 171.17 2jup s GLU 7 N -5.63 3.58 -0.33 12.44 2.02 -1.26 -4.95 118.70 124.58 2jup s GLU 7 Ca 0.70 0.77 -0.01 0.00 0.02 0.00 0.00 54.97 56.45 2jup s GLU 7 Cb -0.05 -4.00 0.07 0.00 0.10 0.00 0.00 34.13 30.25 2jup s GLU 7 CO 0.50 -1.56 0.04 -1.58 0.02 0.00 0.00 175.26 172.68 2jup s TRP 8 N 5.22 3.40 0.57 1.61 0.23 -1.26 -1.73 118.94 126.98 2jup s TRP 8 Ca 0.56 -2.16 0.06 0.00 -2.03 0.00 0.00 56.10 52.53 2jup s TRP 8 Cb -0.11 -2.45 0.07 0.00 0.03 0.00 0.00 33.47 31.02 2jup s TRP 8 CO 0.32 -0.87 0.79 -0.08 0.96 0.00 0.00 176.95 178.07 2jup s THR 9 N 1.17 2.38 -0.43 2.01 -1.32 -1.18 -4.96 115.64 113.32 2jup s THR 9 Ca -0.01 -0.87 -0.06 0.00 -1.21 0.00 0.00 61.69 59.55 2jup s THR 9 Cb -0.20 -2.52 0.11 0.00 -1.51 0.00 0.00 72.50 68.38 2jup s THR 9 CO -0.03 0.00 0.25 -1.61 -2.21 0.00 0.00 174.62 171.02 2jup s GLU 10 N -4.72 2.26 -0.46 7.08 2.02 -1.26 -3.38 118.70 120.24 2jup s GLU 10 Ca 0.61 -1.72 0.03 0.00 0.02 0.00 0.00 54.97 53.91 2jup s GLU 10 Cb -0.07 -3.70 0.13 0.00 0.10 0.00 0.00 34.13 30.58 2jup s GLU 10 CO 0.39 -1.07 0.22 0.71 0.02 0.00 0.00 175.26 175.52 2jup s TYR 11 N 1.26 2.82 -0.20 1.61 2.02 0.16 -5.00 117.35 120.02 2jup s TYR 11 Ca 0.06 -2.86 -0.17 0.00 -0.37 0.00 0.00 57.07 53.73 2jup s TYR 11 Cb -0.24 -2.50 -0.04 0.00 -0.40 0.00 0.00 41.96 38.78 2jup s TYR 11 CO -0.02 -0.79 0.45 0.15 -1.57 0.00 0.00 175.55 173.78 2jup s LYS 12 N 0.14 4.19 0.79 -0.62 1.02 -1.26 -2.95 119.74 121.05 2jup s LYS 12 Ca 0.16 0.30 -0.07 0.00 0.02 0.00 0.00 55.97 56.38 2jup s LYS 12 Cb -0.24 -3.54 0.17 0.00 -0.52 0.00 0.00 37.83 33.69 2jup s LYS 12 CO -0.02 -0.07 1.07 0.25 -0.92 0.00 0.00 175.35 175.66 2jup n THR 13 N 4.39 0.00 1.66 2.17 -2.24 -1.21 -4.94 114.28 114.11 2jup n THR 13 Ca -0.07 -1.22 0.09 0.00 -2.27 0.00 0.00 64.05 60.59 2jup n THR 13 Cb 0.51 -1.21 0.55 0.00 -2.10 0.00 0.00 70.33 68.08 2jup n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jup n ALA 14 N -3.32 2.44 0.51 6.98 0.00 -1.26 -2.43 120.51 123.43 2jup n ALA 14 Ca -0.18 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.28 2jup n ALA 14 Cb 0.55 -1.30 0.41 0.00 0.00 0.00 0.00 19.45 19.10 2jup n ALA 14 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2jup h ASP 15 N 0.00 0.00 0.00 0.00 5.19 -2.02 -3.46 116.42 116.13 2jup h ASP 15 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2jup h ASP 15 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2jup h ASP 15 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 2jup n GLY 16 N 0.95 0.48 3.34 2.75 0.00 -1.02 -5.07 105.19 106.62 2jup n GLY 16 Ca 0.04 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 2jup n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jup s LYS 17 N -3.78 1.51 -0.90 1.61 -0.14 -1.26 -5.04 119.74 111.75 2jup s LYS 17 Ca 0.00 -1.17 -0.22 0.00 -1.36 0.00 0.00 55.97 53.22 2jup s LYS 17 Cb 0.00 -1.80 0.08 0.00 -1.68 0.00 0.00 37.83 34.43 2jup s LYS 17 CO 0.00 0.45 1.25 0.99 -0.76 0.00 0.00 175.35 177.27 2jup s THR 18 N -0.93 4.22 0.00 2.17 2.01 -1.26 -3.30 115.64 118.55 2jup s THR 18 Ca 0.11 -0.82 -0.16 0.00 0.31 0.00 0.00 61.69 61.13 2jup s THR 18 Cb -0.10 -4.89 -0.06 0.00 0.01 0.00 0.00 72.50 67.46 2jup s THR 18 CO 0.04 -1.71 0.45 -0.47 -0.69 0.00 0.00 174.62 172.23 2jup s TYR 19 N 4.18 3.73 -0.10 4.92 5.04 -1.15 -4.44 117.35 129.52 2jup s TYR 19 Ca 0.37 1.05 -0.03 0.00 -2.44 0.00 0.00 57.07 56.01 2jup s TYR 19 Cb -0.05 -2.36 -0.03 0.00 0.35 0.00 0.00 41.96 39.86 2jup s TYR 19 CO -0.04 0.58 0.02 0.71 -1.34 0.00 0.00 175.55 175.49 2jup s TYR 20 N -0.91 3.21 -0.17 4.97 1.51 0.93 0.36 117.35 127.25 2jup s TYR 20 Ca 0.25 0.18 -0.02 0.00 -1.01 0.00 0.00 57.07 56.47 2jup s TYR 20 Cb -0.17 -1.85 -0.01 0.00 -0.11 0.00 0.00 41.96 39.82 2jup s TYR 20 CO 0.14 0.43 -0.09 -0.47 -1.11 0.00 0.00 175.55 174.45 2jup s TYR 21 N -0.67 2.89 -0.24 2.71 6.14 -1.22 -0.48 117.35 126.49 2jup s TYR 21 Ca 0.11 -0.74 -0.19 0.00 0.64 0.00 0.00 57.07 56.89 2jup s TYR 21 Cb -0.12 -1.95 -0.03 0.00 0.42 0.00 0.00 41.96 40.29 2jup s TYR 21 CO 0.02 -0.33 0.55 -0.80 0.64 0.00 0.00 175.55 175.63 2jup s ASN 22 N 0.77 6.52 -0.03 4.32 0.02 0.26 -3.11 114.94 123.69 2jup s ASN 22 Ca -0.04 0.63 0.10 0.00 -1.02 0.00 0.00 52.86 52.54 2jup s ASN 22 Cb -0.15 -2.30 0.36 0.00 0.02 0.00 0.00 41.25 39.17 2jup s ASN 22 CO 0.01 -0.27 1.24 -3.20 0.02 0.00 0.00 177.10 174.90 2jup n ASN 23 N 5.32 2.41 0.00 -1.22 5.15 -0.70 -1.00 115.26 125.22 2jup n ASN 23 Ca -0.03 -2.13 0.00 0.00 -0.60 0.00 0.00 54.58 51.81 2jup n ASN 23 Cb 0.50 -0.35 0.00 0.00 -0.53 0.00 0.00 39.78 39.40 2jup n ASN 23 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2jup n ARG 24 N 0.52 0.00 -0.79 1.20 0.63 -1.26 -4.26 116.66 112.70 2jup n ARG 24 Ca 0.13 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 57.12 2jup n ARG 24 Cb 0.43 -0.51 0.35 0.00 0.45 0.00 0.00 32.46 33.19 2jup n ARG 24 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2jup n THR 25 N -0.01 2.66 -2.46 5.15 5.66 -1.26 -4.94 114.28 119.08 2jup n THR 25 Ca 0.00 -1.59 -0.05 0.00 -3.05 0.00 0.00 64.05 59.36 2jup n THR 25 Cb 0.00 -0.28 0.01 0.00 -1.55 0.00 0.00 70.33 68.50 2jup n THR 25 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2jup n LEU 26 N 0.20 -6.27 -4.38 1.09 4.77 -1.20 -5.09 117.00 106.11 2jup n LEU 26 Ca 0.28 0.42 -0.20 0.00 -0.03 0.00 0.00 56.01 56.48 2jup n LEU 26 Cb 1.14 -2.72 -0.10 0.00 -2.33 0.00 0.00 43.42 39.40 2jup n LEU 26 CO 0.29 -1.73 -0.38 -0.70 -1.33 0.00 0.00 177.39 173.54 2jup s GLU 27 N -2.11 1.44 0.11 3.23 2.56 -0.17 -4.97 118.70 118.79 2jup s GLU 27 Ca 0.17 -1.70 0.09 0.00 0.00 0.00 0.00 54.97 53.53 2jup s GLU 27 Cb -0.05 -1.05 -0.04 0.00 2.00 0.00 0.00 34.13 34.99 2jup s GLU 27 CO 0.55 0.06 -0.20 -1.12 -0.56 0.00 0.00 175.26 173.99 2jup s SER 28 N -3.38 3.75 -0.02 -1.70 0.01 -1.26 0.89 113.70 112.00 2jup s SER 28 Ca 0.27 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.94 2jup s SER 28 Cb 0.03 -0.48 0.02 0.00 0.21 0.00 0.00 66.02 65.80 2jup s SER 28 CO 0.10 0.19 0.02 0.42 0.41 0.00 0.00 173.24 174.38 2jup s THR 29 N -1.10 -0.05 0.00 1.44 -4.23 0.37 -4.90 115.64 107.18 2jup s THR 29 Ca 0.17 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 2jup s THR 29 Cb -0.10 -0.07 0.00 0.00 1.34 0.00 0.00 72.50 73.67 2jup s THR 29 CO 0.09 0.07 0.39 0.79 -0.54 0.00 0.00 174.62 175.42 2jup n TRP 30 N 3.98 0.00 -3.55 3.99 7.02 -1.26 -0.05 117.44 127.58 2jup n TRP 30 Ca -0.25 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.15 2jup n TRP 30 Cb 0.52 -0.48 0.00 0.00 -2.42 0.00 0.00 31.31 28.93 2jup n TRP 30 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 2jup n GLU 31 N -1.95 1.20 -1.16 -0.99 1.02 -1.26 -3.46 120.64 114.04 2jup n GLU 31 Ca 0.00 -1.03 -0.54 0.00 -0.02 0.00 0.00 57.16 55.57 2jup n GLU 31 Cb 0.00 0.09 -0.11 0.00 -0.02 0.00 0.00 31.44 31.40 2jup n GLU 31 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2jup n LYS 32 N -0.95 0.00 -0.99 3.49 5.02 -1.26 -4.82 118.16 118.65 2jup n LYS 32 Ca -0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 2jup n LYS 32 Cb 0.19 -1.37 0.08 0.00 -0.02 0.00 0.00 35.03 33.90 2jup n LYS 32 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2jup n PRO 33 N 6.94 -0.05 -0.15 1.97 -0.02 -1.26 -4.85 135.00 137.58 2jup n PRO 33 Ca 0.51 0.02 -0.03 0.00 -2.02 0.00 0.00 63.50 61.98 2jup n PRO 33 Cb -0.03 -1.57 0.06 0.00 -0.02 0.00 0.00 33.50 31.93 2jup n PRO 33 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2jup h GLN 34 N -1.02 0.31 -0.88 -0.52 1.08 -2.01 -1.58 115.11 110.48 2jup h GLN 34 Ca -0.44 -0.02 -0.14 0.00 -1.45 0.00 0.00 58.65 56.60 2jup h GLN 34 Cb 1.31 -0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 28.59 2jup h GLN 34 CO 0.34 0.21 0.18 0.39 -0.95 0.00 0.00 178.83 178.99 2jup n GLU 35 N -5.03 2.42 0.06 1.46 -0.58 -1.26 -3.43 120.64 114.29 2jup n GLU 35 Ca 0.05 -1.69 -0.04 0.00 -0.42 0.00 0.00 57.16 55.05 2jup n GLU 35 Cb 0.20 -1.79 -0.09 0.00 -0.57 0.00 0.00 31.44 29.20 2jup n GLU 35 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2jup h LEU 36 N 1.60 0.00 -0.88 -4.62 7.12 -1.61 -3.38 115.31 113.54 2jup h LEU 36 Ca 0.17 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.18 2jup h LEU 36 Cb 1.67 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.80 2jup h LEU 36 CO 0.44 0.84 0.00 0.29 -0.13 0.00 0.00 178.44 179.88