#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jup h ALA 2 N 0.00 0.11 -2.58 4.61 0.00 -2.11 -3.43 119.26 115.86 2jup h ALA 2 Ca 0.00 -0.47 -0.55 0.00 0.00 0.00 0.00 54.91 53.88 2jup h ALA 2 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2jup h ALA 2 CO 0.00 0.21 -0.11 0.95 0.00 0.00 0.00 179.25 180.30 2jup s THR 3 N -3.50 4.91 -0.29 0.00 -4.23 -1.26 -5.09 115.64 106.18 2jup s THR 3 Ca -0.14 0.67 -0.15 0.00 -1.18 0.00 0.00 61.69 60.89 2jup s THR 3 Cb 0.03 -3.68 0.10 0.00 1.34 0.00 0.00 72.50 70.29 2jup s THR 3 CO 0.78 0.14 0.73 0.00 -0.54 0.00 0.00 174.62 175.73 2jup s ALA 4 N -1.58 -1.99 -0.14 3.99 0.00 -1.26 -5.13 121.76 115.65 2jup s ALA 4 Ca 0.41 2.37 -0.29 0.00 0.00 0.00 0.00 51.96 54.44 2jup s ALA 4 Cb -0.14 -1.56 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 2jup s ALA 4 CO 0.20 -0.51 1.03 0.08 0.00 0.00 0.00 175.76 176.56 2jup s VAL 5 N 1.89 4.72 0.86 0.00 1.01 -1.26 -4.92 120.40 122.70 2jup s VAL 5 Ca -0.09 2.01 -0.12 0.00 0.00 0.00 0.00 61.98 63.78 2jup s VAL 5 Cb -0.06 -4.30 0.11 0.00 0.00 0.00 0.00 36.38 32.13 2jup s VAL 5 CO -0.19 -0.06 1.17 -0.44 0.00 0.00 0.00 175.10 175.59 2jup s SER 6 N 1.16 4.02 -0.43 3.32 0.01 -1.26 -4.93 113.70 115.58 2jup s SER 6 Ca 0.47 0.81 -0.29 0.00 1.31 0.00 0.00 55.95 58.25 2jup s SER 6 Cb -0.18 -1.29 0.01 0.00 0.21 0.00 0.00 66.02 64.77 2jup s SER 6 CO 0.14 -2.21 1.45 -1.61 0.41 0.00 0.00 173.24 171.41 2jup s GLU 7 N -5.50 3.50 -0.34 12.44 0.41 -1.26 -4.93 118.70 123.03 2jup s GLU 7 Ca 0.64 0.90 -0.01 0.00 -0.41 0.00 0.00 54.97 56.08 2jup s GLU 7 Cb -0.12 -4.06 0.08 0.00 -1.78 0.00 0.00 34.13 28.25 2jup s GLU 7 CO 0.51 -1.66 0.06 -1.58 -0.49 0.00 0.00 175.26 172.10 2jup s TRP 8 N 5.69 3.44 0.32 1.61 0.23 -1.26 -0.56 118.94 128.40 2jup s TRP 8 Ca 0.61 -2.23 0.03 0.00 -2.03 0.00 0.00 56.10 52.49 2jup s TRP 8 Cb -0.14 -2.56 -0.02 0.00 0.03 0.00 0.00 33.47 30.77 2jup s TRP 8 CO 0.32 -0.88 0.49 -0.08 0.96 0.00 0.00 176.95 177.75 2jup s THR 9 N 1.16 4.87 -0.38 2.01 -1.32 -1.23 -4.95 115.64 115.80 2jup s THR 9 Ca 0.01 -0.72 -0.04 0.00 -1.21 0.00 0.00 61.69 59.73 2jup s THR 9 Cb -0.21 -3.75 0.09 0.00 -1.51 0.00 0.00 72.50 67.12 2jup s THR 9 CO -0.03 -0.40 0.17 -1.61 -2.21 0.00 0.00 174.62 170.54 2jup s GLU 10 N -4.21 2.27 0.05 7.08 2.02 -1.26 -3.28 118.70 121.37 2jup s GLU 10 Ca 0.40 -1.58 0.08 0.00 0.02 0.00 0.00 54.97 53.88 2jup s GLU 10 Cb -0.09 -3.54 -0.03 0.00 0.10 0.00 0.00 34.13 30.57 2jup s GLU 10 CO 0.33 -0.93 -0.23 0.71 0.02 0.00 0.00 175.26 175.17 2jup s TYR 11 N 1.24 1.97 -0.10 1.61 2.02 -0.06 -4.99 117.35 119.04 2jup s TYR 11 Ca 0.04 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.36 2jup s TYR 11 Cb -0.22 -1.16 0.02 0.00 -0.40 0.00 0.00 41.96 40.20 2jup s TYR 11 CO -0.02 0.13 -0.11 -1.59 -1.57 0.00 0.00 175.55 172.39 2jup s LYS 12 N -1.31 1.70 0.17 -0.62 -2.85 -1.26 0.31 119.74 115.87 2jup s LYS 12 Ca 0.09 -0.36 -0.02 0.00 -1.00 0.00 0.00 55.97 54.68 2jup s LYS 12 Cb -0.09 -1.57 0.04 0.00 -2.06 0.00 0.00 37.83 34.15 2jup s LYS 12 CO 0.02 -0.13 0.23 0.25 0.10 0.00 0.00 175.35 175.82 2jup n THR 13 N 4.40 0.00 1.34 3.79 -2.24 -1.21 -4.90 114.28 115.47 2jup n THR 13 Ca -0.18 -0.23 0.02 0.00 -2.27 0.00 0.00 64.05 61.39 2jup n THR 13 Cb 0.51 -1.66 0.11 0.00 -2.10 0.00 0.00 70.33 67.18 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 -3.09 2.19 0.18 6.98 0.00 -1.26 -1.84 120.51 123.67 2jup n ALA 14 Ca -0.04 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.50 2jup n ALA 14 Cb 0.11 -1.06 0.07 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.53 0.00 5.19 -2.03 -3.47 116.42 115.58 2jup h ASP 15 Ca 0.00 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.31 2jup h ASP 15 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2jup h ASP 15 CO 0.00 0.01 -0.10 0.61 -3.12 0.00 0.00 179.24 176.63 2jup n GLY 16 N 1.16 0.31 3.43 2.75 0.00 -0.77 -5.04 105.19 107.04 2jup n GLY 16 Ca 0.02 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.79 1.57 -0.38 1.61 -0.14 -1.26 -5.00 119.74 112.34 2jup s LYS 17 Ca 0.00 -1.28 -0.24 0.00 -1.36 0.00 0.00 55.97 53.09 2jup s LYS 17 Cb 0.00 -1.99 0.01 0.00 -1.68 0.00 0.00 37.83 34.17 2jup s LYS 17 CO 0.00 0.46 0.84 0.99 -0.76 0.00 0.00 175.35 176.88 2jup s THR 18 N -1.11 4.65 -0.03 2.17 2.01 -1.26 -3.30 115.64 118.77 2jup s THR 18 Ca 0.16 0.92 0.07 0.00 0.31 0.00 0.00 61.69 63.15 2jup s THR 18 Cb -0.10 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.11 2jup s THR 18 CO 0.08 -0.53 -0.24 -0.47 -0.69 0.00 0.00 174.62 172.77 2jup s TYR 19 N 3.30 2.22 -0.13 4.92 5.04 0.15 -4.59 117.35 128.25 2jup s TYR 19 Ca 0.34 -0.51 -0.04 0.00 -2.44 0.00 0.00 57.07 54.42 2jup s TYR 19 Cb -0.12 -1.44 -0.03 0.00 0.35 0.00 0.00 41.96 40.71 2jup s TYR 19 CO 0.19 -0.10 0.02 0.71 -1.34 0.00 0.00 175.55 175.03 2jup s TYR 20 N -0.41 3.19 -0.32 4.97 2.02 0.33 -0.89 117.35 126.24 2jup s TYR 20 Ca 0.05 0.08 -0.05 0.00 -0.37 0.00 0.00 57.07 56.77 2jup s TYR 20 Cb -0.11 -1.92 0.03 0.00 -0.40 0.00 0.00 41.96 39.57 2jup s TYR 20 CO 0.01 0.29 0.07 -0.47 -1.57 0.00 0.00 175.55 173.88 2jup s TYR 21 N -0.27 3.21 -0.19 2.71 6.14 -1.21 -0.57 117.35 127.17 2jup s TYR 21 Ca 0.07 -1.39 -0.29 0.00 0.64 0.00 0.00 57.07 56.09 2jup s TYR 21 Cb -0.12 -2.23 -0.02 0.00 0.42 0.00 0.00 41.96 40.00 2jup s TYR 21 CO 0.02 -0.70 1.50 1.21 0.64 0.00 0.00 175.55 178.21 2jup s ASN 22 N 1.40 6.60 -0.27 4.32 2.47 0.22 -3.53 114.94 126.15 2jup s ASN 22 Ca -0.01 1.68 0.09 0.00 0.42 0.00 0.00 52.86 55.04 2jup s ASN 22 Cb -0.19 -2.53 0.67 0.00 -1.45 0.00 0.00 41.25 37.75 2jup s ASN 22 CO 0.02 -1.06 1.67 0.59 -3.72 0.00 0.00 177.10 174.59 2jup n ASN 23 N 7.68 4.63 0.00 -4.21 3.02 0.27 -0.15 115.26 126.50 2jup n ASN 23 Ca 0.17 -3.02 0.00 0.00 -0.03 0.00 0.00 54.58 51.69 2jup n ASN 23 Cb 0.45 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 2jup n ASN 23 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2jup n ARG 24 N 0.02 0.00 -0.76 3.52 0.63 -1.26 -4.42 116.66 114.39 2jup n ARG 24 Ca 0.34 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 57.35 2jup n ARG 24 Cb 1.24 -0.52 0.37 0.00 0.45 0.00 0.00 32.46 34.00 2jup n ARG 24 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2jup n THR 25 N -0.22 2.54 -2.13 5.15 -2.24 -1.26 -4.99 114.28 111.13 2jup n THR 25 Ca 0.00 -1.49 -0.00 0.00 -2.27 0.00 0.00 64.05 60.28 2jup n THR 25 Cb 0.00 -0.22 -0.00 0.00 -2.10 0.00 0.00 70.33 68.01 2jup n THR 25 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2jup n LEU 26 N 0.42 -5.05 -4.04 3.22 4.77 -1.20 -5.11 117.00 110.00 2jup n LEU 26 Ca 0.26 0.82 -0.09 0.00 -0.03 0.00 0.00 56.01 56.97 2jup n LEU 26 Cb 1.09 -2.24 -0.09 0.00 -2.33 0.00 0.00 43.42 39.85 2jup n LEU 26 CO 0.27 -1.76 -0.21 -0.70 -1.33 0.00 0.00 177.39 173.66 2jup s GLU 27 N -0.85 0.89 -0.05 3.23 2.56 0.79 -5.00 118.70 120.27 2jup s GLU 27 Ca -0.02 -1.25 0.05 0.00 0.00 0.00 0.00 54.97 53.75 2jup s GLU 27 Cb 0.00 0.28 -0.02 0.00 2.00 0.00 0.00 34.13 36.39 2jup s GLU 27 CO 0.41 -0.26 -0.18 -1.12 -0.56 0.00 0.00 175.26 173.55 2jup s SER 28 N -2.97 3.68 -0.01 -1.70 0.01 -1.26 0.73 113.70 112.18 2jup s SER 28 Ca 0.15 -0.31 -0.04 0.00 1.31 0.00 0.00 55.95 57.07 2jup s SER 28 Cb 0.06 -0.77 -0.00 0.00 0.21 0.00 0.00 66.02 65.52 2jup s SER 28 CO -0.03 0.32 0.08 0.28 0.41 0.00 0.00 173.24 174.29 2jup s THR 29 N -0.57 0.06 -0.11 1.44 -1.32 0.26 -4.89 115.64 110.52 2jup s THR 29 Ca 0.08 -0.50 -0.04 0.00 -1.21 0.00 0.00 61.69 60.02 2jup s THR 29 Cb -0.11 -0.29 -0.01 0.00 -1.51 0.00 0.00 72.50 70.58 2jup s THR 29 CO 0.01 -0.27 -0.08 -0.50 -2.21 0.00 0.00 174.62 171.57 2jup h TRP 30 N 4.99 0.00 -1.98 9.09 4.06 -1.90 0.95 115.95 131.17 2jup h TRP 30 Ca -0.29 0.00 -0.45 0.00 2.06 0.00 0.00 58.89 60.21 2jup h TRP 30 Cb 1.20 0.00 0.05 0.00 -1.00 0.00 0.00 29.16 29.41 2jup h TRP 30 CO 0.54 0.00 -0.05 -1.21 -3.56 0.00 0.00 178.44 174.16 2jup s GLU 31 N -1.80 2.35 -0.15 0.49 8.01 -1.26 -3.55 118.70 122.78 2jup s GLU 31 Ca -0.06 -1.07 -0.29 0.00 0.01 0.00 0.00 54.97 53.55 2jup s GLU 31 Cb 0.01 -2.52 -0.04 0.00 -4.31 0.00 0.00 34.13 27.27 2jup s GLU 31 CO 0.09 -0.83 1.62 -1.59 0.01 0.00 0.00 175.26 174.56 2jup s LYS 32 N -4.77 3.96 1.06 1.61 -2.85 -1.26 -4.80 119.74 112.69 2jup s LYS 32 Ca 0.60 1.89 -0.19 0.00 -1.00 0.00 0.00 55.97 57.26 2jup s LYS 32 Cb -0.08 -4.01 0.02 0.00 -2.06 0.00 0.00 37.83 31.70 2jup s LYS 32 CO 0.39 -1.09 -0.29 -2.30 0.10 0.00 0.00 175.35 172.16 2jup n PRO 33 N 7.40 -0.95 0.21 1.78 -0.02 -1.26 -4.81 135.00 137.35 2jup n PRO 33 Ca 0.18 -0.26 0.08 0.00 -2.02 0.00 0.00 63.50 61.48 2jup n PRO 33 Cb 0.44 -1.54 0.47 0.00 -0.02 0.00 0.00 33.50 32.85 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 -1.70 0.00 -0.08 -0.52 1.08 -2.02 -1.36 115.11 110.51 2jup h GLN 34 Ca -0.48 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 2jup h GLN 34 Cb 1.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.78 2jup h GLN 34 CO 0.33 0.27 0.00 0.39 -0.95 0.00 0.00 178.83 178.88 2jup n GLU 35 N -3.59 1.64 -2.71 1.46 -0.58 -1.26 -4.71 120.64 110.88 2jup n GLU 35 Ca -0.01 -0.95 -0.42 0.00 -0.42 0.00 0.00 57.16 55.36 2jup n GLU 35 Cb 0.41 -1.44 -0.03 0.00 -0.57 0.00 0.00 31.44 29.80 2jup n GLU 35 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2jup s LEU 36 N -1.81 3.79 0.00 -4.62 1.98 -0.52 -4.67 118.68 112.83 2jup s LEU 36 Ca 0.36 -0.51 0.23 0.00 -2.89 0.00 0.00 54.13 51.31 2jup s LEU 36 Cb 0.19 -2.66 0.18 0.00 0.66 0.00 0.00 46.19 44.56 2jup s LEU 36 CO 0.30 -1.53 1.22 0.29 -1.89 0.00 0.00 176.35 174.74