#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 -4.11 0.10 4.61 0.00 -1.26 -4.97 121.76 116.12 2jup s ALA 2 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.28 2jup s ALA 2 Cb 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.24 2jup s ALA 2 CO 0.00 -2.20 0.00 2.41 0.00 0.00 0.00 175.76 175.97 2jup n THR 3 N 4.73 -1.87 -0.64 0.00 -1.04 -1.26 -5.07 114.28 109.12 2jup n THR 3 Ca 0.08 0.48 0.00 0.00 -2.04 0.00 0.00 64.05 62.58 2jup n THR 3 Cb 0.59 -0.80 0.00 0.00 -1.82 0.00 0.00 70.33 68.30 2jup n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jup n ALA 4 N -0.86 -2.53 -2.69 2.41 0.00 -1.26 -4.92 120.51 110.66 2jup n ALA 4 Ca 0.00 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 2jup n ALA 4 Cb 0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 2jup n ALA 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jup s VAL 5 N -1.51 4.79 0.86 0.00 1.01 -1.26 -4.86 120.40 119.43 2jup s VAL 5 Ca 0.00 2.03 -0.13 0.00 0.00 0.00 0.00 61.98 63.88 2jup s VAL 5 Cb 0.00 -4.31 0.11 0.00 0.00 0.00 0.00 36.38 32.19 2jup s VAL 5 CO 0.00 0.06 1.20 -0.44 0.00 0.00 0.00 175.10 175.92 2jup s SER 6 N 1.07 4.03 -0.41 3.32 0.01 -1.26 -4.96 113.70 115.50 2jup s SER 6 Ca 0.50 0.72 -0.29 0.00 1.31 0.00 0.00 55.95 58.20 2jup s SER 6 Cb -0.20 -1.15 0.01 0.00 0.21 0.00 0.00 66.02 64.90 2jup s SER 6 CO 0.22 -2.20 1.41 -1.61 0.41 0.00 0.00 173.24 171.47 2jup s GLU 7 N -5.58 3.58 -0.26 12.44 0.41 -1.26 -4.94 118.70 123.09 2jup s GLU 7 Ca 0.64 0.94 -0.03 0.00 -0.41 0.00 0.00 54.97 56.12 2jup s GLU 7 Cb -0.10 -4.02 0.02 0.00 -1.78 0.00 0.00 34.13 28.25 2jup s GLU 7 CO 0.51 -1.56 -0.03 -1.58 -0.49 0.00 0.00 175.26 172.11 2jup s TRP 8 N 5.41 3.10 0.37 1.61 0.23 -1.26 -0.81 118.94 127.59 2jup s TRP 8 Ca 0.61 -1.47 0.08 0.00 -2.03 0.00 0.00 56.10 53.29 2jup s TRP 8 Cb -0.14 -2.10 -0.03 0.00 0.03 0.00 0.00 33.47 31.23 2jup s TRP 8 CO 0.32 -0.70 0.32 -0.08 0.96 0.00 0.00 176.95 177.77 2jup s THR 9 N 1.35 3.14 -0.35 2.01 -1.32 -1.04 -4.98 115.64 114.45 2jup s THR 9 Ca 0.00 -1.38 -0.07 0.00 -1.21 0.00 0.00 61.69 59.03 2jup s THR 9 Cb -0.17 -3.10 0.05 0.00 -1.51 0.00 0.00 72.50 67.77 2jup s THR 9 CO -0.03 -0.10 0.13 -1.83 -2.21 0.00 0.00 174.62 170.58 2jup s GLU 10 N -4.04 2.60 -0.38 7.08 -1.05 -1.26 -2.86 118.70 118.78 2jup s GLU 10 Ca 0.44 -1.23 0.02 0.00 -0.15 0.00 0.00 54.97 54.04 2jup s GLU 10 Cb -0.04 -3.51 0.12 0.00 -0.44 0.00 0.00 34.13 30.25 2jup s GLU 10 CO 0.27 -0.71 0.16 -0.47 0.95 0.00 0.00 175.26 175.45 2jup s TYR 11 N 1.40 2.29 -0.21 4.83 6.14 0.77 -5.00 117.35 127.57 2jup s TYR 11 Ca -0.01 -2.34 -0.18 0.00 0.64 0.00 0.00 57.07 55.18 2jup s TYR 11 Cb -0.20 -2.08 -0.03 0.00 0.42 0.00 0.00 41.96 40.07 2jup s TYR 11 CO 0.03 -0.84 0.50 0.15 0.64 0.00 0.00 175.55 176.02 2jup s LYS 12 N 0.84 4.17 1.02 4.97 1.02 -1.26 -3.02 119.74 127.48 2jup s LYS 12 Ca 0.14 0.37 -0.17 0.00 0.02 0.00 0.00 55.97 56.32 2jup s LYS 12 Cb -0.21 -3.57 0.24 0.00 -0.52 0.00 0.00 37.83 33.77 2jup s LYS 12 CO -0.10 -0.16 1.12 0.25 -0.92 0.00 0.00 175.35 175.54 2jup n THR 13 N 4.60 0.00 0.19 2.17 -2.24 -1.18 -4.81 114.28 113.00 2jup n THR 13 Ca -0.05 -0.67 0.10 0.00 -2.27 0.00 0.00 64.05 61.16 2jup n THR 13 Cb 0.50 -1.38 0.51 0.00 -2.10 0.00 0.00 70.33 67.86 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 -4.26 1.15 0.21 6.98 0.00 -1.26 -0.72 120.51 122.60 2jup n ALA 14 Ca -0.19 0.16 0.06 0.00 0.00 0.00 0.00 53.44 53.46 2jup n ALA 14 Cb 0.54 -1.29 0.46 0.00 0.00 0.00 0.00 19.45 19.16 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 0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.57 2jup h ASP 15 CO 0.00 0.28 0.00 0.61 -3.12 0.00 0.00 179.24 177.01 2jup n GLY 16 N -0.49 0.47 3.89 2.75 0.00 0.10 -5.06 105.19 106.84 2jup n GLY 16 Ca -0.02 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.16 3.61 -0.86 1.61 1.02 -1.26 -4.96 119.74 116.75 2jup s LYS 17 Ca 0.00 -0.08 -0.22 0.00 0.02 0.00 0.00 55.97 55.69 2jup s LYS 17 Cb 0.00 -2.94 0.08 0.00 -0.52 0.00 0.00 37.83 34.45 2jup s LYS 17 CO 0.00 0.54 1.18 0.99 -0.92 0.00 0.00 175.35 177.14 2jup s THR 18 N -1.52 4.30 -0.08 2.17 2.01 -1.26 -3.13 115.64 118.12 2jup s THR 18 Ca 0.36 -0.80 -0.10 0.00 0.31 0.00 0.00 61.69 61.45 2jup s THR 18 Cb -0.13 -4.84 -0.05 0.00 0.01 0.00 0.00 72.50 67.50 2jup s THR 18 CO 0.22 -1.64 0.25 -0.47 -0.69 0.00 0.00 174.62 172.29 2jup s TYR 19 N 4.00 3.63 -0.16 4.92 5.04 -1.17 -4.65 117.35 128.97 2jup s TYR 19 Ca 0.33 0.70 -0.06 0.00 -2.44 0.00 0.00 57.07 55.61 2jup s TYR 19 Cb -0.07 -2.10 -0.04 0.00 0.35 0.00 0.00 41.96 40.09 2jup s TYR 19 CO -0.01 0.66 0.05 0.71 -1.34 0.00 0.00 175.55 175.61 2jup s TYR 20 N -0.90 3.24 -0.19 4.97 2.02 0.36 -0.17 117.35 126.68 2jup s TYR 20 Ca 0.18 0.09 -0.02 0.00 -0.37 0.00 0.00 57.07 56.95 2jup s TYR 20 Cb -0.14 -2.00 -0.01 0.00 -0.40 0.00 0.00 41.96 39.42 2jup s TYR 20 CO 0.07 0.24 -0.08 -0.47 -1.57 0.00 0.00 175.55 173.74 2jup s TYR 21 N 0.02 2.90 -0.20 2.71 6.14 -1.14 -0.45 117.35 127.34 2jup s TYR 21 Ca 0.05 -0.95 -0.19 0.00 0.64 0.00 0.00 57.07 56.63 2jup s TYR 21 Cb -0.12 -2.02 -0.03 0.00 0.42 0.00 0.00 41.96 40.21 2jup s TYR 21 CO 0.01 -0.49 0.53 1.21 0.64 0.00 0.00 175.55 177.45 2jup s ASN 22 N 1.16 6.57 -0.20 4.32 2.47 0.26 -2.49 114.94 127.05 2jup s ASN 22 Ca 0.02 0.69 0.15 0.00 0.42 0.00 0.00 52.86 54.14 2jup s ASN 22 Cb -0.14 -2.30 0.78 0.00 -1.45 0.00 0.00 41.25 38.14 2jup s ASN 22 CO -0.02 -0.18 1.70 0.59 -3.72 0.00 0.00 177.10 175.46 2jup n ASN 23 N 4.79 5.38 0.00 -4.21 5.03 0.01 -0.20 115.26 126.06 2jup n ASN 23 Ca -0.05 -2.80 0.00 0.00 0.87 0.00 0.00 54.58 52.61 2jup n ASN 23 Cb 0.50 -0.65 0.00 0.00 -1.02 0.00 0.00 39.78 38.62 2jup n ASN 23 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2jup n ARG 24 N 0.71 0.00 -0.66 3.52 3.00 -1.26 -4.20 116.66 117.76 2jup n ARG 24 Ca 0.27 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 58.20 2jup n ARG 24 Cb 1.10 -0.65 0.34 0.00 0.00 0.00 0.00 32.46 33.25 2jup n ARG 24 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2jup n THR 25 N -0.15 2.26 -2.00 5.15 -2.24 -1.26 -5.00 114.28 111.04 2jup n THR 25 Ca 0.00 -1.43 -0.02 0.00 -2.27 0.00 0.00 64.05 60.33 2jup n THR 25 Cb 0.00 -0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.11 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 0.52 -3.99 -4.01 3.22 4.77 -1.23 -5.12 117.00 111.15 2jup n LEU 26 Ca 0.25 1.01 -0.08 0.00 -0.03 0.00 0.00 56.01 57.16 2jup n LEU 26 Cb 0.99 -2.05 -0.09 0.00 -2.33 0.00 0.00 43.42 39.94 2jup n LEU 26 CO 0.24 -1.81 -0.26 -0.70 -1.33 0.00 0.00 177.39 173.53 2jup s GLU 27 N -0.84 0.71 -0.06 3.23 2.56 0.72 -4.99 118.70 120.02 2jup s GLU 27 Ca -0.12 -1.14 0.03 0.00 0.00 0.00 0.00 54.97 53.74 2jup s GLU 27 Cb 0.01 0.26 -0.03 0.00 2.00 0.00 0.00 34.13 36.37 2jup s GLU 27 CO 0.36 -0.17 -0.12 -1.12 -0.56 0.00 0.00 175.26 173.65 2jup s SER 28 N -2.90 4.20 0.03 -1.70 0.01 -1.26 0.92 113.70 112.99 2jup s SER 28 Ca 0.07 -0.16 -0.07 0.00 1.31 0.00 0.00 55.95 57.10 2jup s SER 28 Cb 0.07 -0.99 -0.00 0.00 0.21 0.00 0.00 66.02 65.31 2jup s SER 28 CO -0.10 0.34 0.14 0.28 0.41 0.00 0.00 173.24 174.30 2jup s THR 29 N -0.68 0.12 -0.03 1.44 -1.32 0.40 -4.91 115.64 110.67 2jup s THR 29 Ca 0.10 -0.95 -0.02 0.00 -1.21 0.00 0.00 61.69 59.62 2jup s THR 29 Cb -0.11 -0.81 -0.01 0.00 -1.51 0.00 0.00 72.50 70.07 2jup s THR 29 CO 0.01 -0.52 -0.03 0.79 -2.21 0.00 0.00 174.62 172.65 2jup n TRP 30 N 0.88 0.17 -2.64 9.09 7.02 -1.26 -0.48 117.44 130.21 2jup n TRP 30 Ca -0.20 0.07 -0.21 0.00 -1.02 0.00 0.00 57.50 56.14 2jup n TRP 30 Cb 0.58 -0.33 0.11 0.00 -2.42 0.00 0.00 31.31 29.24 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 -2.69 0.01 -1.66 -0.99 -0.58 -1.26 -3.59 120.64 109.88 2jup n GLU 31 Ca -0.01 -2.59 -0.46 0.00 -0.42 0.00 0.00 57.16 53.67 2jup n GLU 31 Cb 0.05 -0.58 -0.04 0.00 -0.57 0.00 0.00 31.44 30.30 2jup n GLU 31 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2jup n LYS 32 N -2.67 2.32 -0.88 3.49 2.85 -1.26 -4.85 118.16 117.17 2jup n LYS 32 Ca 0.15 0.83 -0.34 0.00 -1.05 0.00 0.00 58.31 57.91 2jup n LYS 32 Cb 0.55 -2.79 0.09 0.00 -0.65 0.00 0.00 35.03 32.23 2jup n LYS 32 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 2jup n PRO 33 N 7.16 -0.21 0.05 -1.58 -0.02 -1.26 -4.86 135.00 134.27 2jup n PRO 33 Ca 0.23 -0.04 0.13 0.00 -2.02 0.00 0.00 63.50 61.81 2jup n PRO 33 Cb 0.34 -1.49 0.50 0.00 -0.02 0.00 0.00 33.50 32.83 2jup n PRO 33 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2jup n GLN 34 N 0.06 0.12 -0.00 -0.52 6.02 -1.26 -1.72 117.38 120.08 2jup n GLN 34 Ca 0.03 0.10 0.15 0.00 -0.01 0.00 0.00 57.00 57.27 2jup n GLN 34 Cb 0.55 -1.64 0.79 0.00 1.02 0.00 0.00 30.24 30.97 2jup n GLN 34 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2jup n GLU 35 N -1.85 1.24 -3.75 -1.09 -0.58 -1.26 -4.65 120.64 108.69 2jup n GLU 35 Ca 0.06 -0.35 -0.38 0.00 -0.42 0.00 0.00 57.16 56.07 2jup n GLU 35 Cb 0.38 -1.49 -0.12 0.00 -0.57 0.00 0.00 31.44 29.64 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 -2.00 4.09 0.00 -4.62 1.98 -0.70 -4.51 118.68 112.93 2jup s LEU 36 Ca 0.44 -0.93 0.31 0.00 -2.89 0.00 0.00 54.13 51.06 2jup s LEU 36 Cb 0.22 -1.87 1.85 0.00 0.66 0.00 0.00 46.19 47.04 2jup s LEU 36 CO 0.36 -0.26 2.18 1.17 -1.89 0.00 0.00 176.35 177.90