#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i21 n LYS 4 N 0.00 -0.16 -3.39 9.51 0.00 -1.26 -5.03 118.16 117.83 3i21 n LYS 4 Ca 0.00 0.11 -0.15 0.00 -0.00 0.00 0.00 58.31 58.27 3i21 n LYS 4 Cb 0.00 -0.61 -0.09 0.00 -0.00 0.00 0.00 35.03 34.32 3i21 n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3i21 s VAL 5 N -0.02 -0.45 -0.15 0.58 1.01 -1.26 -5.03 120.40 115.08 3i21 s VAL 5 Ca 0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 3i21 s VAL 5 Cb 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 3i21 s VAL 5 CO 0.00 -0.36 -0.22 0.54 0.00 0.00 0.00 175.10 175.06 3i21 n ARG 6 N 5.32 0.47 -2.97 2.72 1.74 -1.26 -5.07 116.66 117.61 3i21 n ARG 6 Ca -0.02 0.44 -0.01 0.00 -0.77 0.00 0.00 57.85 57.49 3i21 n ARG 6 Cb 0.48 -1.62 -0.01 0.00 -1.02 0.00 0.00 32.46 30.28 3i21 n ARG 6 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3i21 n GLU 7 N -4.57 -1.95 0.00 5.56 1.02 -1.26 -5.01 120.64 114.42 3i21 n GLU 7 Ca -0.09 1.75 0.00 0.00 -0.02 0.00 0.00 57.16 58.80 3i21 n GLU 7 Cb 0.33 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.45 3i21 n GLU 7 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3i21 n ASN 8 N 1.79 0.00 -1.35 1.62 5.15 -1.26 -4.95 115.26 116.27 3i21 n ASN 8 Ca -0.08 0.00 0.16 0.00 -0.60 0.00 0.00 54.58 54.05 3i21 n ASN 8 Cb 0.27 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.44 3i21 n ASN 8 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3i21 n GLU 9 N 0.00 -2.89 -2.99 1.20 4.71 -1.26 -4.69 120.64 114.71 3i21 n GLU 9 Ca 0.00 2.31 -0.42 0.00 -0.01 0.00 0.00 57.16 59.03 3i21 n GLU 9 Cb 0.00 -3.48 -0.06 0.00 -1.01 0.00 0.00 31.44 26.90 3i21 n GLU 9 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 3i21 s PRO 10 N -4.04 3.65 -0.13 3.49 0.04 -1.26 -5.00 135.00 131.75 3i21 s PRO 10 Ca 0.00 0.15 -0.34 0.00 0.04 0.00 0.00 61.00 60.85 3i21 s PRO 10 Cb 0.00 -3.84 0.14 0.00 0.04 0.00 0.00 34.50 30.84 3i21 s PRO 10 CO 0.00 -0.88 1.36 -0.59 0.04 0.00 0.00 177.00 176.93 3i21 s PHE 11 N 3.05 -0.03 -0.17 0.56 -0.12 -1.26 -5.06 117.98 114.94 3i21 s PHE 11 Ca 0.29 -0.01 0.18 0.00 -0.05 0.00 0.00 56.93 57.35 3i21 s PHE 11 Cb -0.13 0.51 0.45 0.00 -0.63 0.00 0.00 43.02 43.22 3i21 s PHE 11 CO 0.18 -0.10 1.17 -3.47 -0.05 0.00 0.00 175.22 172.95 3i21 n ASP 12 N -0.34 2.08 -4.55 1.98 2.03 -1.26 -5.02 116.55 111.46 3i21 n ASP 12 Ca -0.05 -2.83 -0.40 0.00 0.52 0.00 0.00 54.79 52.02 3i21 n ASP 12 Cb 0.61 -0.41 -0.03 0.00 -0.72 0.00 0.00 41.12 40.57 3i21 n ASP 12 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3i21 s VAL 13 N -2.62 3.64 0.02 5.18 0.11 -1.26 -4.91 120.40 120.57 3i21 s VAL 13 Ca 0.37 0.39 -0.08 0.00 -2.93 0.00 0.00 61.98 59.73 3i21 s VAL 13 Cb 0.37 -4.64 -0.03 0.00 -1.53 0.00 0.00 36.38 30.55 3i21 s VAL 13 CO -0.07 -1.56 1.12 0.00 -3.33 0.00 0.00 175.10 171.26 3i21 h ALA 14 N 11.32 -0.69 -5.02 1.54 0.00 -2.05 -3.48 119.26 120.88 3i21 h ALA 14 Ca -0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3i21 h ALA 14 Cb 1.08 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 3i21 h ALA 14 CO 1.25 -0.71 -0.51 1.47 0.00 0.00 0.00 179.25 180.75 3i21 n LEU 15 N -3.10 -3.95 -3.73 0.00 -0.00 -1.26 -4.94 117.00 100.02 3i21 n LEU 15 Ca -0.02 1.61 -0.28 0.00 -0.00 0.00 0.00 56.01 57.33 3i21 n LEU 15 Cb 0.09 -2.21 -0.11 0.00 -0.00 0.00 0.00 43.42 41.20 3i21 n LEU 15 CO 0.04 -2.71 -0.00 -1.14 -0.00 0.00 0.00 177.39 173.58 3i21 n ARG 16 N 2.09 2.03 -0.02 1.47 3.00 -1.26 -4.86 116.66 119.10 3i21 n ARG 16 Ca -0.09 -4.52 -0.15 0.00 -0.00 0.00 0.00 57.85 53.09 3i21 n ARG 16 Cb 0.13 -2.26 -0.10 0.00 0.00 0.00 0.00 32.46 30.23 3i21 n ARG 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i21 h ARG 17 N 4.98 0.28 -1.01 -0.14 -0.00 -1.96 -3.29 114.38 113.25 3i21 h ARG 17 Ca 0.17 -0.26 0.23 0.00 -0.50 0.00 0.00 59.98 59.61 3i21 h ARG 17 Cb 0.73 0.06 -0.10 0.00 0.00 0.00 0.00 29.97 30.66 3i21 h ARG 17 CO 0.75 0.94 0.62 0.74 0.00 0.00 0.00 179.97 183.02 3i21 h PHE 18 N -0.29 0.90 0.49 3.04 0.05 -1.98 0.55 116.94 119.70 3i21 h PHE 18 Ca -0.03 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.77 3i21 h PHE 18 Cb 1.03 -0.26 -0.02 0.00 2.00 0.00 0.00 35.95 38.70 3i21 h PHE 18 CO 0.15 0.13 -0.44 0.87 -0.18 0.00 0.00 178.31 178.84 3i21 h LYS 19 N 0.58 -0.90 -0.34 1.51 1.79 -1.95 -0.38 116.57 116.89 3i21 h LYS 19 Ca 0.59 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 59.12 3i21 h LYS 19 Cb 1.18 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 32.03 3i21 h LYS 19 CO -0.37 -0.60 0.00 0.54 -1.08 0.00 0.00 179.45 177.95 3i21 n ARG 20 N -5.54 0.53 0.02 3.15 5.12 0.17 -3.12 116.66 116.99 3i21 n ARG 20 Ca -0.12 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.79 3i21 n ARG 20 Cb 0.43 -1.17 -0.01 0.00 -1.16 0.00 0.00 32.46 30.55 3i21 n ARG 20 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3i21 n SER 21 N -0.03 0.82 0.00 0.55 2.88 0.02 -5.03 113.62 112.83 3i21 n SER 21 Ca 0.00 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 3i21 n SER 21 Cb 0.09 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 3i21 n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i21 n GLU 23 N 0.00 0.00 0.00 0.00 1.02 -1.26 -4.67 120.64 115.73 3i21 n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i21 n GLU 23 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3i21 n GLU 23 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3i21 n LYS 24 N 0.00 0.00 0.30 3.49 3.00 -1.26 -2.91 118.16 120.79 3i21 n LYS 24 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 58.31 58.47 3i21 n LYS 24 Cb 0.00 0.00 0.96 0.00 0.00 0.00 0.00 35.03 35.99 3i21 n LYS 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i21 h ALA 25 N -0.61 1.39 -0.74 3.14 0.00 -1.93 -2.70 119.26 117.81 3i21 h ALA 25 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3i21 h ALA 25 Cb 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 3i21 h ALA 25 CO 0.00 0.02 -0.40 0.41 0.00 0.00 0.00 179.25 179.27 3i21 n GLY 26 N -1.20 -1.83 0.50 0.00 0.00 -1.14 0.12 105.19 101.64 3i21 n GLY 26 Ca -0.03 0.87 0.11 0.00 0.00 0.00 0.00 46.02 46.98 3i21 n GLY 26 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i21 n VAL 27 N -4.97 0.00 -0.07 1.61 0.31 -1.16 -4.09 118.33 109.96 3i21 n VAL 27 Ca 0.03 -0.26 -0.04 0.00 -0.01 0.00 0.00 64.34 64.05 3i21 n VAL 27 Cb 0.22 1.16 -0.02 0.00 -0.91 0.00 0.00 33.84 34.29 3i21 n VAL 27 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3i21 h LEU 28 N 2.46 0.00 -0.96 7.52 6.46 0.20 -3.30 115.31 127.68 3i21 h LEU 28 Ca 0.00 -0.01 0.24 0.00 -0.12 0.00 0.00 57.88 57.99 3i21 h LEU 28 Cb 0.74 0.00 -0.12 0.00 -0.73 0.00 0.00 40.66 40.55 3i21 h LEU 28 CO 0.00 0.74 0.52 0.00 -0.62 0.00 0.00 178.44 179.09 3i21 h ALA 29 N -0.99 1.66 -0.15 1.25 0.00 0.72 -0.04 119.26 121.71 3i21 h ALA 29 Ca -0.00 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3i21 h ALA 29 Cb 0.48 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3i21 h ALA 29 CO -0.00 -0.29 -0.09 0.39 0.00 0.00 0.00 179.25 179.26 3i21 n GLU 30 N -4.94 -0.07 0.00 0.00 1.02 -1.22 -4.29 120.64 111.14 3i21 n GLU 30 Ca 0.25 1.00 0.00 0.00 -0.02 0.00 0.00 57.16 58.39 3i21 n GLU 30 Cb 0.71 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 3i21 n GLU 30 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3i21 n VAL 31 N -3.29 0.00 0.00 2.62 0.31 -0.04 -4.50 118.33 113.43 3i21 n VAL 31 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i21 n VAL 31 Cb 0.04 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 3i21 n VAL 31 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i21 n ARG 32 N 0.00 0.00 -3.64 5.55 0.00 -1.18 -4.71 116.66 112.67 3i21 n ARG 32 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.81 3i21 n ARG 32 Cb 0.00 -1.39 -0.06 0.00 0.00 0.00 0.00 32.46 31.02 3i21 n ARG 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3i21 s ARG 33 N 0.00 0.64 0.14 -0.14 3.00 -1.26 -5.14 118.95 116.19 3i21 s ARG 33 Ca 0.00 1.34 0.00 0.00 -1.00 0.00 0.00 55.73 56.07 3i21 s ARG 33 Cb 0.00 0.51 0.00 0.00 0.00 0.00 0.00 34.95 35.46 3i21 s ARG 33 CO 0.00 -0.17 0.00 -2.13 0.00 0.00 0.00 175.30 173.00 3i21 n ARG 34 N 4.88 -1.12 -0.77 5.12 0.63 -1.26 -4.90 116.66 119.24 3i21 n ARG 34 Ca -0.16 0.85 -0.33 0.00 -0.92 0.00 0.00 57.85 57.29 3i21 n ARG 34 Cb 0.54 -1.38 0.13 0.00 0.45 0.00 0.00 32.46 32.20 3i21 n ARG 34 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3i21 n GLU 35 N -1.50 -0.64 0.07 -0.14 4.07 -1.26 -5.00 120.64 116.25 3i21 n GLU 35 Ca 0.00 -0.15 0.00 0.00 -0.06 0.00 0.00 57.16 56.95 3i21 n GLU 35 Cb 0.05 -1.80 0.00 0.00 -0.06 0.00 0.00 31.44 29.64 3i21 n GLU 35 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3i21 n PHE 36 N -3.80 -0.80 0.00 4.31 0.99 -1.26 -5.03 117.46 111.86 3i21 n PHE 36 Ca 0.05 0.14 0.00 0.00 -0.00 0.00 0.00 57.45 57.64 3i21 n PHE 36 Cb 0.56 0.20 0.00 0.00 -1.00 0.00 0.00 39.48 39.24 3i21 n PHE 36 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74 3i21 n TYR 37 N -3.38 0.00 -2.04 1.38 -0.00 -1.26 -2.06 117.16 109.80 3i21 n TYR 37 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.64 3i21 n TYR 37 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 39.34 39.36 3i21 n TYR 37 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 3i21 n GLU 38 N 0.00 3.45 -0.05 2.98 -0.58 -1.26 -4.41 120.64 120.78 3i21 n GLU 38 Ca 0.00 -4.12 -0.06 0.00 -0.42 0.00 0.00 57.16 52.56 3i21 n GLU 38 Cb 0.00 -2.27 -0.06 0.00 -0.57 0.00 0.00 31.44 28.54 3i21 n GLU 38 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3i21 n LYS 39 N -0.68 1.61 0.06 3.49 4.81 -0.87 -4.62 118.16 121.97 3i21 n LYS 39 Ca 0.45 0.02 0.13 0.00 -0.87 0.00 0.00 58.31 58.05 3i21 n LYS 39 Cb 0.85 -1.21 0.43 0.00 0.02 0.00 0.00 35.03 35.11 3i21 n LYS 39 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3i21 n PRO 40 N -2.53 0.18 0.33 1.64 -0.04 -1.26 -2.55 135.00 130.77 3i21 n PRO 40 Ca -0.16 0.13 -0.17 0.00 -0.04 0.00 0.00 63.50 63.26 3i21 n PRO 40 Cb 0.74 -1.69 -0.09 0.00 -0.04 0.00 0.00 33.50 32.43 3i21 n PRO 40 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3i21 h THR 41 N 0.00 0.35 -0.02 0.52 2.02 -1.82 0.83 112.91 114.79 3i21 h THR 41 Ca 0.00 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 66.96 3i21 h THR 41 Cb 0.66 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3i21 h THR 41 CO 0.00 0.02 -0.31 0.71 0.37 0.00 0.00 175.52 176.31 3i21 h THR 42 N -0.94 1.23 0.01 3.16 1.35 -1.85 0.68 112.91 116.56 3i21 h THR 42 Ca -0.09 -1.11 0.02 0.00 -0.55 0.00 0.00 66.41 64.69 3i21 h THR 42 Cb 0.67 1.56 -0.02 0.00 -1.73 0.00 0.00 68.15 68.63 3i21 h THR 42 CO 0.14 0.32 -0.11 -0.08 -0.25 0.00 0.00 175.52 175.54 3i21 h GLU 43 N 0.04 -0.19 0.00 4.72 4.57 -1.19 -1.30 114.58 121.23 3i21 h GLU 43 Ca 0.00 0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.04 3i21 h GLU 43 Cb 0.57 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 3i21 h GLU 43 CO 0.04 -0.13 -1.61 -2.13 -1.18 0.00 0.00 179.01 174.01 3i21 n ARG 44 N -5.24 0.64 0.07 1.92 3.00 0.26 -3.06 116.66 114.24 3i21 n ARG 44 Ca -0.06 0.11 0.12 0.00 -0.00 0.00 0.00 57.85 58.03 3i21 n ARG 44 Cb 0.16 -1.72 0.47 0.00 0.00 0.00 0.00 32.46 31.37 3i21 n ARG 44 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3i21 n LYS 45 N -2.75 0.15 -0.02 -0.14 4.81 0.24 -1.17 118.16 119.28 3i21 n LYS 45 Ca -0.11 0.19 0.08 0.00 -0.87 0.00 0.00 58.31 57.60 3i21 n LYS 45 Cb 0.82 -1.70 -0.16 0.00 0.02 0.00 0.00 35.03 34.01 3i21 n LYS 45 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3i21 n ARG 46 N -1.96 0.66 0.02 1.64 5.12 -0.49 -3.69 116.66 117.96 3i21 n ARG 46 Ca 0.05 -0.15 0.08 0.00 -1.93 0.00 0.00 57.85 55.90 3i21 n ARG 46 Cb 0.34 -1.54 0.35 0.00 -1.16 0.00 0.00 32.46 30.45 3i21 n ARG 46 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i21 n ALA 47 N -2.32 1.69 -0.05 7.54 0.00 -0.80 -1.37 120.51 125.19 3i21 n ALA 47 Ca -0.08 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.19 3i21 n ALA 47 Cb 0.65 -1.27 -0.07 0.00 0.00 0.00 0.00 19.45 18.76 3i21 n ALA 47 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i21 h LYS 48 N 0.00 0.44 0.00 0.00 3.64 -1.22 -3.03 116.57 116.40 3i21 h LYS 48 Ca 0.00 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3i21 h LYS 48 Cb 0.28 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3i21 h LYS 48 CO 0.00 0.87 0.15 0.00 -2.27 0.00 0.00 179.45 178.21 3i21 h ALA 49 N 0.57 1.14 -3.00 5.00 0.00 -1.38 -2.60 119.26 119.00 3i21 h ALA 49 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i21 h ALA 49 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3i21 h ALA 49 CO 0.06 -0.14 0.00 0.43 0.00 0.00 0.00 179.25 179.60 3i21 n SER 50 N -2.74 0.00 0.00 0.00 7.64 -1.15 -4.17 113.62 113.21 3i21 n SER 50 Ca -0.02 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.90 3i21 n SER 50 Cb 0.20 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 3i21 n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i21 n ALA 51 N -0.68 1.49 -0.06 -0.43 0.00 -1.21 -2.59 120.51 117.02 3i21 n ALA 51 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 3i21 n ALA 51 Cb 0.00 -0.99 0.56 0.00 0.00 0.00 0.00 19.45 19.02 3i21 n ALA 51 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3i21 h VAL 52 N 0.00 0.83 0.00 0.00 3.04 -1.62 -3.51 116.25 114.98 3i21 h VAL 52 Ca 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 3i21 h VAL 52 Cb 0.00 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 29.82 3i21 h VAL 52 CO 0.00 0.05 0.00 1.17 -1.01 0.00 0.00 177.57 177.78