#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jup n ALA 2 N 0.00 -3.11 -3.52 4.61 0.00 -1.26 -5.08 120.51 112.16 2jup n ALA 2 Ca 0.00 0.52 -0.23 0.00 0.00 0.00 0.00 53.44 53.74 2jup n ALA 2 Cb 0.00 -1.55 -0.16 0.00 0.00 0.00 0.00 19.45 17.73 2jup n ALA 2 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2jup s THR 3 N -1.54 0.90 -0.08 0.00 -1.32 -1.26 -5.14 115.64 107.20 2jup s THR 3 Ca 0.09 -0.34 -0.00 0.00 -1.21 0.00 0.00 61.69 60.22 2jup s THR 3 Cb -0.02 -0.85 0.02 0.00 -1.51 0.00 0.00 72.50 70.14 2jup s THR 3 CO 0.43 0.30 -0.04 0.00 -2.21 0.00 0.00 174.62 173.11 2jup s ALA 4 N 0.74 0.95 -0.14 11.08 0.00 -1.26 -5.12 121.76 128.01 2jup s ALA 4 Ca -0.14 -0.28 -0.24 0.00 0.00 0.00 0.00 51.96 51.31 2jup s ALA 4 Cb -0.15 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 2jup s ALA 4 CO 0.02 -0.34 0.76 0.54 0.00 0.00 0.00 175.76 176.75 2jup s VAL 5 N 1.62 4.95 0.74 0.00 0.11 -1.26 -4.82 120.40 121.75 2jup s VAL 5 Ca 0.01 1.51 -0.11 0.00 -2.93 0.00 0.00 61.98 60.46 2jup s VAL 5 Cb -0.13 -4.08 0.17 0.00 -1.53 0.00 0.00 36.38 30.81 2jup s VAL 5 CO -0.05 0.10 1.01 -1.20 -3.33 0.00 0.00 175.10 171.64 2jup n SER 6 N 4.79 0.19 -4.57 3.54 7.64 -1.26 -4.95 113.62 119.00 2jup n SER 6 Ca 0.02 -1.44 -0.41 0.00 1.01 0.00 0.00 58.87 58.05 2jup n SER 6 Cb 0.50 -0.76 -0.03 0.00 -1.01 0.00 0.00 64.21 62.91 2jup n SER 6 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2jup s GLU 7 N -5.18 3.28 -0.20 1.43 0.41 -1.26 -4.94 118.70 112.23 2jup s GLU 7 Ca 0.58 0.43 -0.01 0.00 -0.41 0.00 0.00 54.97 55.56 2jup s GLU 7 Cb -0.02 -4.13 0.01 0.00 -1.78 0.00 0.00 34.13 28.21 2jup s GLU 7 CO 0.40 -1.96 -0.13 -1.58 -0.49 0.00 0.00 175.26 171.51 2jup s TRP 8 N 6.10 2.89 0.40 1.61 0.23 -1.26 0.08 118.94 128.98 2jup s TRP 8 Ca 0.52 -1.41 0.08 0.00 -2.03 0.00 0.00 56.10 53.25 2jup s TRP 8 Cb -0.11 -2.00 -0.02 0.00 0.03 0.00 0.00 33.47 31.37 2jup s TRP 8 CO 0.24 -0.71 0.35 -0.08 0.96 0.00 0.00 176.95 177.71 2jup s THR 9 N 1.35 2.82 -0.13 2.01 -1.32 -1.24 -4.97 115.64 114.16 2jup s THR 9 Ca 0.04 -1.37 -0.01 0.00 -1.21 0.00 0.00 61.69 59.14 2jup s THR 9 Cb -0.14 -3.03 -0.02 0.00 -1.51 0.00 0.00 72.50 67.80 2jup s THR 9 CO -0.08 -0.04 -0.10 -1.83 -2.21 0.00 0.00 174.62 170.36 2jup s GLU 10 N -4.09 3.42 0.04 7.08 -1.05 -1.26 -3.17 118.70 119.68 2jup s GLU 10 Ca 0.46 -0.63 -0.09 0.00 -0.15 0.00 0.00 54.97 54.57 2jup s GLU 10 Cb -0.03 -2.71 0.00 0.00 -0.44 0.00 0.00 34.13 30.95 2jup s GLU 10 CO 0.27 0.26 0.18 0.71 0.95 0.00 0.00 175.26 177.63 2jup s TYR 11 N 0.27 0.08 -0.03 4.83 2.02 0.90 -4.97 117.35 120.46 2jup s TYR 11 Ca -0.07 -0.32 0.03 0.00 -0.37 0.00 0.00 57.07 56.34 2jup s TYR 11 Cb -0.15 -0.04 -0.00 0.00 -0.40 0.00 0.00 41.96 41.36 2jup s TYR 11 CO 0.05 -0.43 -0.12 0.15 -1.57 0.00 0.00 175.55 173.62 2jup s LYS 12 N -2.65 1.20 0.32 -0.62 3.01 -1.26 0.43 119.74 120.18 2jup s LYS 12 Ca -0.04 -0.43 0.05 0.00 -1.01 0.00 0.00 55.97 54.53 2jup s LYS 12 Cb -0.01 -1.11 0.05 0.00 -1.01 0.00 0.00 37.83 35.76 2jup s LYS 12 CO -0.04 0.20 0.43 0.25 0.51 0.00 0.00 175.35 176.70 2jup n THR 13 N 3.08 0.00 0.78 2.17 -2.24 -1.22 -4.97 114.28 111.89 2jup n THR 13 Ca -0.17 -1.10 0.07 0.00 -2.27 0.00 0.00 64.05 60.59 2jup n THR 13 Cb 0.54 -0.68 0.40 0.00 -2.10 0.00 0.00 70.33 68.49 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 -2.60 1.91 0.79 6.98 0.00 -1.26 -1.78 120.51 124.55 2jup n ALA 14 Ca -0.08 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.42 2jup n ALA 14 Cb 0.34 -1.25 0.50 0.00 0.00 0.00 0.00 19.45 19.04 2jup n ALA 14 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jup n ASP 15 N -1.20 0.43 -1.65 0.00 8.00 -1.26 -4.93 116.55 115.94 2jup n ASP 15 Ca 0.08 0.54 -0.08 0.00 0.71 0.00 0.00 54.79 56.05 2jup n ASP 15 Cb 0.10 -0.66 0.03 0.00 -0.02 0.00 0.00 41.12 40.57 2jup n ASP 15 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jup n GLY 16 N 1.35 0.36 3.04 0.44 0.00 -0.73 -5.05 105.19 104.59 2jup n GLY 16 Ca 0.06 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 2jup n GLY 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jup s LYS 17 N -5.19 0.47 -0.50 1.61 2.20 -1.26 -5.02 119.74 112.06 2jup s LYS 17 Ca 0.15 -0.78 -0.26 0.00 -0.36 0.00 0.00 55.97 54.72 2jup s LYS 17 Cb -0.07 -0.10 0.03 0.00 -1.51 0.00 0.00 37.83 36.19 2jup s LYS 17 CO 0.25 -0.00 0.99 0.99 -0.36 0.00 0.00 175.35 177.22 2jup s THR 18 N -1.75 4.37 -0.05 3.43 2.01 -1.26 -3.44 115.64 118.94 2jup s THR 18 Ca -0.10 0.72 0.06 0.00 0.31 0.00 0.00 61.69 62.68 2jup s THR 18 Cb -0.08 -4.51 -0.02 0.00 0.01 0.00 0.00 72.50 67.90 2jup s THR 18 CO -0.01 -0.98 -0.21 -0.47 -0.69 0.00 0.00 174.62 172.25 2jup s TYR 19 N 4.03 2.50 -0.03 4.92 5.04 0.17 -4.31 117.35 129.67 2jup s TYR 19 Ca 0.38 -0.47 -0.01 0.00 -2.44 0.00 0.00 57.07 54.53 2jup s TYR 19 Cb -0.10 -1.59 -0.04 0.00 0.35 0.00 0.00 41.96 40.58 2jup s TYR 19 CO 0.25 -0.05 0.04 0.71 -1.34 0.00 0.00 175.55 175.17 2jup s TYR 20 N -0.43 3.21 -0.38 4.97 1.51 0.14 -0.07 117.35 126.30 2jup s TYR 20 Ca 0.05 0.19 -0.06 0.00 -1.01 0.00 0.00 57.07 56.23 2jup s TYR 20 Cb -0.12 -1.75 0.08 0.00 -0.11 0.00 0.00 41.96 40.06 2jup s TYR 20 CO 0.01 0.52 0.18 -0.47 -1.11 0.00 0.00 175.55 174.68 2jup s TYR 21 N -1.07 3.38 -0.45 2.71 6.14 -1.19 -0.08 117.35 126.79 2jup s TYR 21 Ca 0.19 -1.79 -0.28 0.00 0.64 0.00 0.00 57.07 55.82 2jup s TYR 21 Cb -0.12 -2.78 -0.08 0.00 0.42 0.00 0.00 41.96 39.40 2jup s TYR 21 CO 0.09 -0.85 2.37 -1.71 0.64 0.00 0.00 175.55 176.09 2jup n ASN 22 N 4.77 2.35 -0.83 4.32 2.85 0.27 -3.59 115.26 125.40 2jup n ASN 22 Ca -0.09 -0.18 0.07 0.00 -0.11 0.00 0.00 54.58 54.27 2jup n ASN 22 Cb 0.43 -1.49 0.20 0.00 1.24 0.00 0.00 39.78 40.17 2jup n ASN 22 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2jup n ASN 23 N 13.82 2.40 0.00 1.20 5.15 0.11 0.84 115.26 138.78 2jup n ASN 23 Ca 0.38 -1.99 0.00 0.00 -0.60 0.00 0.00 54.58 52.37 2jup n ASN 23 Cb 0.44 -0.29 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 0.81 0.00 -0.34 1.20 3.00 -1.24 -4.12 116.66 115.97 2jup n ARG 24 Ca 0.15 0.33 0.11 0.00 -0.00 0.00 0.00 57.85 58.43 2jup n ARG 24 Cb 0.38 -1.15 0.29 0.00 0.00 0.00 0.00 32.46 31.99 2jup n ARG 24 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 2jup n THR 25 N -1.48 1.01 -2.59 5.15 5.66 -1.26 -4.96 114.28 115.80 2jup n THR 25 Ca 0.00 -1.00 -0.04 0.00 -3.05 0.00 0.00 64.05 59.96 2jup n THR 25 Cb 0.00 0.50 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 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 1.43 -7.09 -4.20 1.09 4.77 -1.14 -5.10 117.00 106.75 2jup n LEU 26 Ca 0.22 0.80 -0.15 0.00 -0.03 0.00 0.00 56.01 56.85 2jup n LEU 26 Cb 0.59 -3.03 -0.08 0.00 -2.33 0.00 0.00 43.42 38.57 2jup n LEU 26 CO 0.15 -2.34 -0.10 -0.70 -1.33 0.00 0.00 177.39 173.07 2jup s GLU 27 N -1.93 1.55 0.16 3.23 2.56 0.25 -5.00 118.70 119.51 2jup s GLU 27 Ca 0.12 -1.77 0.09 0.00 0.00 0.00 0.00 54.97 53.40 2jup s GLU 27 Cb -0.03 0.33 -0.04 0.00 2.00 0.00 0.00 34.13 36.39 2jup s GLU 27 CO 0.66 -0.57 -0.12 -1.12 -0.56 0.00 0.00 175.26 173.55 2jup s SER 28 N -3.24 4.16 -0.04 -1.70 0.01 -1.26 -0.56 113.70 111.07 2jup s SER 28 Ca 0.37 -0.56 -0.02 0.00 1.31 0.00 0.00 55.95 57.05 2jup s SER 28 Cb 0.04 -0.68 0.03 0.00 0.21 0.00 0.00 66.02 65.62 2jup s SER 28 CO 0.19 0.13 0.05 0.42 0.41 0.00 0.00 173.24 174.44 2jup s THR 29 N -1.53 -0.10 -0.00 1.44 -4.23 0.89 -4.72 115.64 107.39 2jup s THR 29 Ca 0.23 0.38 -0.06 0.00 -1.18 0.00 0.00 61.69 61.05 2jup s THR 29 Cb -0.09 -0.13 -0.04 0.00 1.34 0.00 0.00 72.50 73.58 2jup s THR 29 CO 0.14 0.16 0.66 -0.50 -0.54 0.00 0.00 174.62 174.54 2jup h TRP 30 N 8.17 -0.21 -3.77 3.99 4.06 -1.90 0.41 115.95 126.70 2jup h TRP 30 Ca -0.20 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.74 2jup h TRP 30 Cb 1.12 0.07 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 2jup h TRP 30 CO 0.49 -0.13 0.00 -1.91 -3.56 0.00 0.00 178.44 173.32 2jup n GLU 31 N -2.98 1.81 -1.42 0.49 0.00 -1.26 -3.53 120.64 113.74 2jup n GLU 31 Ca -0.03 0.00 -0.60 0.00 0.00 0.00 0.00 57.16 56.53 2jup n GLU 31 Cb 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.43 2jup n GLU 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2jup n LYS 32 N -0.50 0.29 -0.64 5.31 5.02 -1.26 -4.71 118.16 121.68 2jup n LYS 32 Ca 0.00 0.09 -0.31 0.00 -2.02 0.00 0.00 58.31 56.07 2jup n LYS 32 Cb 0.00 -1.72 0.19 0.00 -0.02 0.00 0.00 35.03 33.48 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 6.73 -1.41 -0.35 1.97 -0.02 -1.26 -4.82 135.00 135.84 2jup n PRO 33 Ca 0.45 -0.38 0.13 0.00 -2.02 0.00 0.00 63.50 61.69 2jup n PRO 33 Cb 0.02 -2.00 0.32 0.00 -0.02 0.00 0.00 33.50 31.82 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 -2.14 0.75 0.00 -0.52 4.20 -2.00 -0.93 115.11 114.47 2jup h GLN 34 Ca -0.52 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 57.98 2jup h GLN 34 Cb 1.32 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.90 2jup h GLN 34 CO 0.41 0.50 -1.19 0.93 -0.67 0.00 0.00 178.83 178.81 2jup h GLU 35 N 0.77 0.00 -3.50 1.46 4.39 -1.90 -3.36 114.58 112.44 2jup h GLU 35 Ca 0.58 0.00 -0.73 0.00 0.34 0.00 0.00 59.36 59.55 2jup h GLU 35 Cb 0.89 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.45 2jup h GLU 35 CO -0.38 0.39 2.71 1.28 -1.16 0.00 0.00 179.01 181.85 2jup n LEU 36 N -3.01 7.18 -0.68 1.33 4.77 -0.35 -4.90 117.00 121.33 2jup n LEU 36 Ca -0.07 -4.46 0.08 0.00 -0.03 0.00 0.00 56.01 51.54 2jup n LEU 36 Cb 0.83 -1.54 0.07 0.00 -2.33 0.00 0.00 43.42 40.46 2jup n LEU 36 CO 0.43 1.46 0.52 2.29 -1.33 0.00 0.00 177.39 180.75