#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5n n VAL 2 N 0.00-10.01 -3.65 2.03 0.31 -1.26 -5.08 118.33 100.67 1j5n n VAL 2 Ca 0.00 2.39 -0.03 0.00 -0.01 0.00 0.00 64.34 66.69 1j5n n VAL 2 Cb 0.00 -4.85 -0.07 0.00 -0.91 0.00 0.00 33.84 28.01 1j5n n VAL 2 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1j5n s THR 3 N -0.44 0.00 0.00 2.52 -1.32 -1.26 -5.18 115.64 109.97 1j5n s THR 3 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1j5n s THR 3 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1j5n s THR 3 CO 0.00 0.00 0.00 -2.65 -2.21 0.00 0.00 174.62 169.76 1j5n n PRO 4 N 1.55 1.32 0.00 7.08 -0.02 -1.26 -5.03 135.00 138.65 1j5n n PRO 4 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1j5n n PRO 4 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 1j5n n PRO 4 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1j5n n ARG 5 N -0.26 0.00 -3.16 -0.52 0.00 -1.26 -4.97 116.66 106.49 1j5n n ARG 5 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.49 1j5n n ARG 5 Cb 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 32.46 32.12 1j5n n ARG 5 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1j5n n GLU 6 N -1.63 3.72 -2.02 -0.14 -0.58 -1.26 -5.02 120.64 113.71 1j5n n GLU 6 Ca 0.00 -4.61 -0.38 0.00 -0.42 0.00 0.00 57.16 51.75 1j5n n GLU 6 Cb 0.00 -2.41 -0.03 0.00 -0.57 0.00 0.00 31.44 28.43 1j5n n GLU 6 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1j5n s PRO 7 N -2.71 2.60 0.25 3.49 0.04 -1.26 -4.92 135.00 132.49 1j5n s PRO 7 Ca 0.35 0.61 -0.13 0.00 0.04 0.00 0.00 61.00 61.86 1j5n s PRO 7 Cb 0.09 -4.42 -0.00 0.00 0.04 0.00 0.00 34.50 30.21 1j5n s PRO 7 CO 0.06 -2.78 0.49 0.21 0.04 0.00 0.00 177.00 175.02 1j5n s LYS 8 N 7.09 1.55 0.00 4.56 2.20 -1.26 -4.98 119.74 128.91 1j5n s LYS 8 Ca 0.68 -1.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 1j5n s LYS 8 Cb -0.13 0.48 0.00 0.00 -1.51 0.00 0.00 37.83 36.67 1j5n s LYS 8 CO 0.20 -0.65 0.00 1.63 -0.36 0.00 0.00 175.35 176.17 1j5n n LYS 9 N -0.38 0.00 0.00 4.03 4.76 -1.26 -4.98 118.16 120.33 1j5n n LYS 9 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1j5n n LYS 9 Cb 0.62 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.81 1j5n n LYS 9 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1j5n n ARG 10 N 0.00 0.00 -1.72 1.97 5.12 -1.26 -4.98 116.66 115.79 1j5n n ARG 10 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1j5n n ARG 10 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1j5n n ARG 10 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1j5n n THR 11 N 0.00 -6.11 0.00 0.55 -1.04 -1.26 -5.04 114.28 101.37 1j5n n THR 11 Ca 0.00 2.49 0.00 0.00 -2.04 0.00 0.00 64.05 64.50 1j5n n THR 11 Cb 0.00 -3.45 0.00 0.00 -1.82 0.00 0.00 70.33 65.06 1j5n n THR 11 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1j5n n THR 12 N 0.56 0.00 -3.53 12.58 5.66 -1.26 -5.06 114.28 123.23 1j5n n THR 12 Ca 0.00 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.84 1j5n n THR 12 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1j5n n THR 12 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1j5n n ARG 13 N 0.00 -0.68 -1.19 1.09 1.85 -1.26 -4.76 116.66 111.72 1j5n n ARG 13 Ca 0.00 -0.04 -0.28 0.00 -1.00 0.00 0.00 57.85 56.52 1j5n n ARG 13 Cb 0.00 -0.64 0.06 0.00 -1.05 0.00 0.00 32.46 30.83 1j5n n ARG 13 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1j5n n LYS 14 N -2.13 2.37 -1.07 2.89 4.81 -1.26 -5.03 118.16 118.74 1j5n n LYS 14 Ca -0.08 -2.66 0.11 0.00 -0.87 0.00 0.00 58.31 54.81 1j5n n LYS 14 Cb 0.26 -2.04 -0.04 0.00 0.02 0.00 0.00 35.03 33.22 1j5n n LYS 14 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1j5n n LYS 15 N -0.43 -1.87 0.00 1.64 4.01 -1.26 -5.03 118.16 115.22 1j5n n LYS 15 Ca 0.51 1.41 0.00 0.00 -0.51 0.00 0.00 58.31 59.72 1j5n n LYS 15 Cb 0.62 -2.44 0.00 0.00 -0.51 0.00 0.00 35.03 32.70 1j5n n LYS 15 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1j5n n LYS 16 N -3.41 0.00 0.00 1.97 0.00 -1.26 -5.18 118.16 110.28 1j5n n LYS 16 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.28 1j5n n LYS 16 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.62 1j5n n LYS 16 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1j5n n ASP 17 N 0.00 0.00 0.34 3.14 9.92 -1.26 -4.86 116.55 123.83 1j5n n ASP 17 Ca 0.00 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 54.08 1j5n n ASP 17 Cb 0.00 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 1j5n n ASP 17 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1j5n h PRO 18 N 0.00 -0.90 0.00 -0.24 0.13 -1.98 -3.34 132.00 125.68 1j5n h PRO 18 Ca 0.00 0.06 -0.13 0.00 -0.87 0.00 0.00 66.00 65.07 1j5n h PRO 18 Cb 0.00 0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.31 1j5n h PRO 18 CO 0.00 -0.60 -1.83 0.09 -0.23 0.00 0.00 178.00 175.43 1j5n n ASN 19 N -5.52 1.50 -2.82 1.44 3.02 -1.26 -5.07 115.26 106.56 1j5n n ASN 19 Ca -0.13 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.38 1j5n n ASN 19 Cb 0.40 1.29 0.00 0.00 -0.61 0.00 0.00 39.78 40.87 1j5n n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j5n n ALA 20 N -2.27 -1.88 0.19 5.41 0.00 -1.25 -4.86 120.51 115.85 1j5n n ALA 20 Ca -0.13 0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.20 1j5n n ALA 20 Cb 0.67 -0.60 -0.07 0.00 0.00 0.00 0.00 19.45 19.45 1j5n n ALA 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1j5n h PRO 21 N 3.02 -0.67 -1.19 0.00 0.11 -1.94 -3.48 132.00 127.85 1j5n h PRO 21 Ca -0.06 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1j5n h PRO 21 Cb 0.89 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1j5n h PRO 21 CO 0.02 -0.44 0.00 1.63 -0.21 0.00 0.00 178.00 179.00 1j5n n LYS 22 N -5.46 0.00 0.00 1.05 5.02 -1.26 -5.00 118.16 112.52 1j5n n LYS 22 Ca -0.09 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1j5n n LYS 22 Cb 0.36 -0.60 0.00 0.00 -0.02 0.00 0.00 35.03 34.78 1j5n n LYS 22 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1j5n n ARG 23 N -0.56 0.00 -1.02 1.97 1.85 -1.26 -4.89 116.66 112.75 1j5n n ARG 23 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1j5n n ARG 23 Cb 0.20 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.61 1j5n n ARG 23 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1j5n n ALA 24 N 1.09 0.00 -1.94 2.89 0.00 -1.26 -4.67 120.51 116.62 1j5n n ALA 24 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1j5n n ALA 24 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 1j5n n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1j5n s LEU 25 N 0.00 2.73 0.33 0.00 1.02 -1.26 -5.02 118.68 116.47 1j5n s LEU 25 Ca 0.00 0.28 0.10 0.00 0.02 0.00 0.00 54.13 54.53 1j5n s LEU 25 Cb 0.00 -2.50 -0.06 0.00 0.02 0.00 0.00 46.19 43.66 1j5n s LEU 25 CO 0.00 -2.37 -0.09 -0.55 0.02 0.00 0.00 176.35 173.36 1j5n s SER 26 N -4.78 3.83 0.65 2.29 0.15 -1.26 -4.78 113.70 109.79 1j5n s SER 26 Ca 0.70 -1.10 0.41 0.00 0.70 0.00 0.00 55.95 56.66 1j5n s SER 26 Cb -0.06 -0.40 2.25 0.00 -1.71 0.00 0.00 66.02 66.10 1j5n s SER 26 CO 0.50 -0.15 2.27 0.00 1.20 0.00 0.00 173.24 177.06 1j5n h ALA 27 N 2.02 1.05 0.00 5.45 0.00 -1.87 0.11 119.26 126.02 1j5n h ALA 27 Ca -0.42 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 1j5n h ALA 27 Cb 1.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1j5n h ALA 27 CO 0.67 -0.05 -0.61 -0.92 0.00 0.00 0.00 179.25 178.34 1j5n h TYR 28 N 0.00 0.00 0.09 0.00 5.03 -1.95 -2.18 116.97 117.97 1j5n h TYR 28 Ca 0.00 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.19 1j5n h TYR 28 Cb 0.10 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.39 1j5n h TYR 28 CO 0.00 0.60 -0.54 0.52 -1.32 0.00 0.00 178.16 177.42 1j5n h MET 29 N 0.00 0.19 -0.24 1.82 0.00 -1.19 0.76 114.93 116.26 1j5n h MET 29 Ca -0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 59.70 59.34 1j5n h MET 29 Cb 1.47 0.12 -0.01 0.00 0.00 0.00 0.00 31.60 33.18 1j5n h MET 29 CO 0.08 1.15 0.02 0.74 0.00 0.00 0.00 176.91 178.90 1j5n h PHE 30 N -0.61 0.44 0.13 -0.22 0.04 -1.57 0.40 116.94 115.56 1j5n h PHE 30 Ca -0.10 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.60 1j5n h PHE 30 Cb 1.41 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.44 1j5n h PHE 30 CO 0.22 0.55 -0.06 0.35 -0.60 0.00 0.00 178.31 178.78 1j5n h PHE 31 N 0.21 -0.16 -0.04 -0.55 3.57 -1.53 -2.08 116.94 116.36 1j5n h PHE 31 Ca 0.07 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1j5n h PHE 31 Cb 0.36 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 1j5n h PHE 31 CO 0.03 0.12 0.08 0.00 -2.23 0.00 0.00 178.31 176.31 1j5n h ALA 32 N 0.40 1.34 -0.15 2.41 0.00 -0.79 -0.11 119.26 122.36 1j5n h ALA 32 Ca -0.02 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1j5n h ALA 32 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1j5n h ALA 32 CO 0.03 -0.10 -0.05 -0.91 0.00 0.00 0.00 179.25 178.22 1j5n h ASN 33 N 0.00 0.29 -0.23 0.00 2.35 0.49 0.41 115.58 118.89 1j5n h ASN 33 Ca 0.02 -0.39 -0.03 0.00 -0.55 0.00 0.00 56.30 55.35 1j5n h ASN 33 Cb 0.18 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1j5n h ASN 33 CO -0.00 0.61 0.01 -0.33 -1.65 0.00 0.00 177.43 176.07 1j5n h GLU 34 N -0.03 0.41 0.00 0.81 5.08 -0.68 -3.34 114.58 116.83 1j5n h GLU 34 Ca 0.04 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1j5n h GLU 34 Cb 0.49 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1j5n h GLU 34 CO 0.02 0.58 0.00 0.09 -1.00 0.00 0.00 179.01 178.69 1j5n n ASN 35 N -4.66 0.00 0.00 1.42 5.03 -0.26 -2.24 115.26 114.54 1j5n n ASN 35 Ca -0.04 0.73 0.00 0.00 0.87 0.00 0.00 54.58 56.14 1j5n n ASN 35 Cb 0.23 -0.37 0.00 0.00 -1.02 0.00 0.00 39.78 38.62 1j5n n ASN 35 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1j5n n ARG 36 N -1.60 0.00 0.08 3.52 0.63 0.14 0.40 116.66 119.84 1j5n n ARG 36 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 1j5n n ARG 36 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 1j5n n ARG 36 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1j5n h ASP 37 N 0.00 -0.21 0.01 6.15 3.32 -1.68 -1.49 116.42 122.53 1j5n h ASP 37 Ca 0.00 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 1j5n h ASP 37 Cb 0.00 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 1j5n h ASP 37 CO 0.00 0.24 -0.01 0.40 -1.72 0.00 0.00 179.24 178.15 1j5n h ILE 38 N -0.71 0.00 -0.23 0.35 5.03 0.83 0.47 117.51 123.25 1j5n h ILE 38 Ca -0.03 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.75 1j5n h ILE 38 Cb 0.50 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 34.22 1j5n h ILE 38 CO 0.04 0.00 -0.53 0.58 -0.68 0.00 0.00 178.15 177.56 1j5n h VAL 39 N -0.02 0.02 0.00 1.67 2.07 -0.32 0.22 116.25 119.89 1j5n h VAL 39 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1j5n h VAL 39 Cb 0.02 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 1j5n h VAL 39 CO 0.00 0.00 0.00 0.08 0.02 0.00 0.00 177.57 177.67 1j5n h ARG 40 N -0.51 0.00 0.00 1.57 -0.00 -1.31 0.17 114.38 114.30 1j5n h ARG 40 Ca 0.06 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.89 1j5n h ARG 40 Cb 0.65 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.60 1j5n h ARG 40 CO -0.49 0.00 -0.72 1.03 -0.00 0.00 0.00 179.97 179.80 1j5n h SER 41 N 0.00 0.00 0.61 0.08 0.87 0.32 -0.53 113.55 114.89 1j5n h SER 41 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1j5n h SER 41 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1j5n h SER 41 CO 0.00 0.72 -0.89 -0.62 -0.53 0.00 0.00 176.83 175.51 1j5n n GLU 42 N -3.52 0.30 -3.17 2.24 1.02 -0.12 -4.40 120.64 112.99 1j5n n GLU 42 Ca -0.00 0.03 -0.20 0.00 -0.02 0.00 0.00 57.16 56.97 1j5n n GLU 42 Cb 0.74 -1.63 -0.04 0.00 -0.02 0.00 0.00 31.44 30.49 1j5n n GLU 42 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1j5n n ASN 43 N -2.04 1.06 0.03 1.62 3.02 -0.24 -4.93 115.26 113.77 1j5n n ASN 43 Ca 0.02 -3.02 0.05 0.00 -0.03 0.00 0.00 54.58 51.60 1j5n n ASN 43 Cb 0.44 -0.62 0.22 0.00 -0.61 0.00 0.00 39.78 39.22 1j5n n ASN 43 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1j5n n PRO 44 N 0.40 0.03 -3.16 3.52 -0.02 -0.22 -3.55 135.00 132.02 1j5n n PRO 44 Ca 0.25 0.42 -0.21 0.00 -2.02 0.00 0.00 63.50 61.94 1j5n n PRO 44 Cb 0.62 -1.59 -0.05 0.00 -0.02 0.00 0.00 33.50 32.46 1j5n n PRO 44 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1j5n n ASP 45 N -1.66 0.12 0.00 2.55 8.00 -1.26 -4.85 116.55 119.45 1j5n n ASP 45 Ca 0.01 -2.82 0.00 0.00 0.71 0.00 0.00 54.79 52.69 1j5n n ASP 45 Cb 0.09 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 1j5n n ASP 45 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1j5n n ILE 46 N 1.13 0.00 0.00 0.53 -5.35 -1.23 -5.14 119.36 109.30 1j5n n ILE 46 Ca 0.21 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 1j5n n ILE 46 Cb 0.57 1.26 0.00 0.00 -1.74 0.00 0.00 39.64 39.73 1j5n n ILE 46 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1j5n n THR 47 N -0.23 0.00 -0.03 7.28 -2.24 -1.26 -3.90 114.28 113.90 1j5n n THR 47 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1j5n n THR 47 Cb 0.07 0.00 0.34 0.00 -2.10 0.00 0.00 70.33 68.64 1j5n n THR 47 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1j5n h PHE 48 N 0.00 0.59 0.00 4.78 3.57 -1.98 -1.02 116.94 122.88 1j5n h PHE 48 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1j5n h PHE 48 Cb 0.00 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.55 1j5n h PHE 48 CO 0.00 0.45 0.00 0.41 -2.23 0.00 0.00 178.31 176.94 1j5n n GLY 49 N -1.21 -0.70 0.35 2.40 0.00 -1.26 -0.40 105.19 104.37 1j5n n GLY 49 Ca 0.03 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 1j5n n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j5n n GLN 50 N -1.02 0.39 -0.07 1.61 1.13 -0.43 -4.17 117.38 114.82 1j5n n GLN 50 Ca 0.16 0.16 -0.13 0.00 -1.94 0.00 0.00 57.00 55.24 1j5n n GLN 50 Cb 0.08 -1.18 -0.06 0.00 0.11 0.00 0.00 30.24 29.19 1j5n n GLN 50 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 1j5n h VAL 51 N -0.73 1.33 0.88 5.09 3.04 -1.50 -0.21 116.25 124.15 1j5n h VAL 51 Ca -0.02 -1.42 -0.04 0.00 -1.01 0.00 0.00 66.70 64.21 1j5n h VAL 51 Cb 0.76 1.80 0.01 0.00 -2.01 0.00 0.00 31.29 31.85 1j5n h VAL 51 CO -0.01 0.43 -0.42 1.23 -1.01 0.00 0.00 177.57 177.79 1j5n h GLY 52 N 0.17 -1.23 2.00 3.17 0.00 -0.94 0.41 103.07 106.65 1j5n h GLY 52 Ca 0.03 0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.81 1j5n h GLY 52 CO 0.06 -0.45 -0.03 0.50 0.00 0.00 0.00 176.54 176.62 1j5n h LYS 53 N -1.18 0.00 0.00 4.80 1.57 -1.67 0.11 116.57 120.20 1j5n h LYS 53 Ca -0.12 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 1j5n h LYS 53 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1j5n h LYS 53 CO 0.20 0.03 -0.48 -0.22 -0.57 0.00 0.00 179.45 178.41 1j5n h LYS 54 N 0.00 0.00 -0.11 3.15 1.63 -0.63 -2.43 116.57 118.19 1j5n h LYS 54 Ca -0.00 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.73 1j5n h LYS 54 Cb 0.07 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 1j5n h LYS 54 CO 0.00 0.48 -0.22 -0.07 -3.45 0.00 0.00 179.45 176.19 1j5n h LEU 55 N 0.00 0.37 0.33 5.20 3.38 0.25 -0.57 115.31 124.27 1j5n h LEU 55 Ca -0.00 -0.56 -0.02 0.00 0.09 0.00 0.00 57.88 57.38 1j5n h LEU 55 Cb 1.14 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1j5n h LEU 55 CO 0.06 0.87 -0.16 1.23 0.09 0.00 0.00 178.44 180.53 1j5n h GLY 56 N -0.10 -0.47 1.00 0.83 0.00 -1.44 0.42 103.07 103.31 1j5n h GLY 56 Ca 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 1j5n h GLY 56 CO 0.05 -0.17 -0.26 1.05 0.00 0.00 0.00 176.54 177.21 1j5n h GLU 57 N -0.67 -0.70 0.00 4.80 4.11 -1.54 -2.05 114.58 118.53 1j5n h GLU 57 Ca -0.05 0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.43 1j5n h GLU 57 Cb 0.47 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1j5n h GLU 57 CO 0.07 -0.46 -0.03 0.87 0.07 0.00 0.00 179.01 179.53 1j5n h LYS 58 N -0.72 0.00 0.94 1.06 1.79 -1.16 0.17 116.57 118.65 1j5n h LYS 58 Ca -0.07 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.35 1j5n h LYS 58 Cb 0.56 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.22 1j5n h LYS 58 CO 0.12 0.03 -0.45 2.35 -1.08 0.00 0.00 179.45 180.42 1j5n h TRP 59 N 0.00 -1.17 0.00 -1.35 -0.00 0.53 -2.11 115.95 111.86 1j5n h TRP 59 Ca -0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.86 1j5n h TRP 59 Cb 0.07 0.39 0.00 0.00 -0.00 0.00 0.00 29.16 29.61 1j5n h TRP 59 CO 0.00 -0.73 0.00 1.63 -0.00 0.00 0.00 178.44 179.34 1j5n n LYS 60 N -5.63 0.52 0.10 2.65 5.02 -0.97 -3.44 118.16 116.42 1j5n n LYS 60 Ca -0.16 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 55.92 1j5n n LYS 60 Cb 0.50 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.89 1j5n n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j5n h ALA 61 N 3.51 0.03 -1.69 7.82 0.00 -0.23 -3.38 119.26 125.33 1j5n h ALA 61 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1j5n h ALA 61 Cb 0.24 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1j5n h ALA 61 CO 0.00 0.74 0.00 1.28 0.00 0.00 0.00 179.25 181.27 1j5n n LEU 62 N -3.75 0.00 0.00 0.00 4.77 -0.83 -5.02 117.00 112.17 1j5n n LEU 62 Ca -0.13 0.72 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1j5n n LEU 62 Cb 0.99 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 1j5n n LEU 62 CO 0.57 -0.22 0.00 0.41 -1.33 0.00 0.00 177.39 176.82 1j5n n THR 63 N -1.40 0.00 -0.33 -5.08 -1.04 -1.26 -4.85 114.28 100.32 1j5n n THR 63 Ca 0.00 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.18 1j5n n THR 63 Cb 0.00 0.00 0.35 0.00 -1.82 0.00 0.00 70.33 68.86 1j5n n THR 63 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1j5n h PRO 64 N 0.00 0.05 -0.23 -2.82 0.11 -1.93 0.56 132.00 127.74 1j5n h PRO 64 Ca 0.00 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.12 1j5n h PRO 64 Cb 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 1j5n h PRO 64 CO 0.00 0.03 0.10 1.49 -0.21 0.00 0.00 178.00 179.41 1j5n h GLU 65 N 0.05 0.22 -0.10 1.05 4.81 -2.00 -0.20 114.58 118.40 1j5n h GLU 65 Ca 0.64 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.88 1j5n h GLU 65 Cb 1.40 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.72 1j5n h GLU 65 CO -0.84 0.14 0.11 0.93 -0.73 0.00 0.00 179.01 178.63 1j5n h GLU 66 N 0.22 0.00 0.00 1.92 4.39 -0.26 0.63 114.58 121.49 1j5n h GLU 66 Ca 0.10 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.64 1j5n h GLU 66 Cb 0.04 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1j5n h GLU 66 CO -0.08 0.00 -0.78 0.87 -1.16 0.00 0.00 179.01 177.86 1j5n h LYS 67 N 0.00 0.00 -0.57 2.33 1.57 0.20 -3.37 116.57 116.74 1j5n h LYS 67 Ca 0.05 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.94 1j5n h LYS 67 Cb 0.27 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.47 1j5n h LYS 67 CO -0.00 0.69 -0.16 1.04 -0.57 0.00 0.00 179.45 180.44 1j5n n GLN 68 N -3.25 -0.07 0.13 3.15 6.02 0.21 0.55 117.38 124.12 1j5n n GLN 68 Ca 0.00 0.89 -0.14 0.00 -0.01 0.00 0.00 57.00 57.74 1j5n n GLN 68 Cb 0.83 -1.33 -0.07 0.00 1.02 0.00 0.00 30.24 30.70 1j5n n GLN 68 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1j5n h PRO 69 N 0.00 -0.58 0.00 -1.09 0.11 -1.75 -0.30 132.00 128.38 1j5n h PRO 69 Ca 0.26 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.41 1j5n h PRO 69 Cb 0.40 0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1j5n h PRO 69 CO -0.59 -0.39 -0.07 1.88 -0.21 0.00 0.00 178.00 178.63 1j5n h TYR 70 N -0.61 0.00 -0.97 0.65 0.05 -0.46 -1.81 116.97 113.82 1j5n h TYR 70 Ca 0.02 0.00 0.19 0.00 0.05 0.00 0.00 58.73 59.00 1j5n h TYR 70 Cb 0.63 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 38.18 1j5n h TYR 70 CO -0.31 0.00 -0.25 -1.91 -1.05 0.00 0.00 178.16 174.64 1j5n n GLU 71 N -4.24 -0.09 -0.24 4.88 2.13 0.19 0.33 120.64 123.60 1j5n n GLU 71 Ca -0.01 1.52 -0.06 0.00 0.66 0.00 0.00 57.16 59.27 1j5n n GLU 71 Cb 0.04 -2.26 0.04 0.00 0.27 0.00 0.00 31.44 29.53 1j5n n GLU 71 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1j5n h ALA 72 N 1.92 0.84 0.00 4.31 0.00 -1.13 0.41 119.26 125.61 1j5n h ALA 72 Ca 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1j5n h ALA 72 Cb 0.70 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1j5n h ALA 72 CO -1.00 0.33 0.04 -0.22 0.00 0.00 0.00 179.25 178.40 1j5n h LYS 73 N 0.90 0.00 0.01 0.00 3.64 0.63 -0.60 116.57 121.15 1j5n h LYS 73 Ca 0.24 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.57 1j5n h LYS 73 Cb -0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1j5n h LYS 73 CO -0.04 0.00 -0.19 0.00 -2.27 0.00 0.00 179.45 176.95 1j5n h ALA 74 N 1.91 0.01 0.00 5.00 0.00 0.62 -1.90 119.26 124.89 1j5n h ALA 74 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1j5n h ALA 74 Cb 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1j5n h ALA 74 CO 0.00 0.04 -0.04 1.96 0.00 0.00 0.00 179.25 181.21 1j5n h GLN 75 N -0.63 0.00 -0.13 0.00 4.20 -0.63 0.34 115.11 118.26 1j5n h GLN 75 Ca -0.03 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1j5n h GLN 75 Cb 0.99 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.76 1j5n h GLN 75 CO 0.04 0.04 0.01 0.00 -0.67 0.00 0.00 178.83 178.25 1j5n h ALA 76 N 1.96 0.17 0.00 3.87 0.00 -1.09 -2.34 119.26 121.82 1j5n h ALA 76 Ca -0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1j5n h ALA 76 Cb 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1j5n h ALA 76 CO 0.01 -0.16 -0.20 0.22 0.00 0.00 0.00 179.25 179.11 1j5n h ASP 77 N -0.02 0.00 -0.06 0.00 1.82 -0.50 -2.47 116.42 115.19 1j5n h ASP 77 Ca 0.04 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1j5n h ASP 77 Cb 0.32 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.32 1j5n h ASP 77 CO 0.00 0.20 0.03 0.50 -1.61 0.00 0.00 179.24 178.37 1j5n h LYS 78 N 0.00 0.08 -0.59 0.28 3.11 -0.02 -2.45 116.57 116.98 1j5n h LYS 78 Ca -0.00 -0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 57.74 1j5n h LYS 78 Cb 0.79 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.98 1j5n h LYS 78 CO 0.03 0.17 0.04 -0.22 -2.81 0.00 0.00 179.45 176.66 1j5n h LYS 79 N -0.02 1.01 -0.76 1.90 3.64 -1.36 0.07 116.57 121.05 1j5n h LYS 79 Ca 0.02 -0.29 0.11 0.00 -1.27 0.00 0.00 60.65 59.22 1j5n h LYS 79 Cb 0.11 -0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 31.70 1j5n h LYS 79 CO -0.00 0.96 -0.44 -0.09 -2.27 0.00 0.00 179.45 177.61 1j5n h ARG 80 N 0.93 -0.12 0.00 1.90 9.65 -1.04 0.52 114.38 126.22 1j5n h ARG 80 Ca 0.18 0.01 -0.10 0.00 -1.10 0.00 0.00 59.98 58.97 1j5n h ARG 80 Cb 0.49 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 1j5n h ARG 80 CO 0.02 -0.08 -0.46 -0.92 2.80 0.00 0.00 179.97 181.33 1j5n h TYR 81 N -0.13 0.00 -0.32 2.20 5.03 -1.33 -3.08 116.97 119.35 1j5n h TYR 81 Ca 0.22 0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.63 1j5n h TYR 81 Cb 0.55 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.82 1j5n h TYR 81 CO -0.80 0.46 0.32 1.49 -1.32 0.00 0.00 178.16 178.31 1j5n h GLU 82 N 0.00 0.00 0.01 1.82 4.81 0.20 0.46 114.58 121.89 1j5n h GLU 82 Ca -0.00 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.00 1j5n h GLU 82 Cb 1.17 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 1j5n h GLU 82 CO 0.06 0.00 -0.95 1.03 -0.73 0.00 0.00 179.01 178.42 1j5n h SER 83 N 0.00 0.42 0.15 1.04 0.87 -1.13 -2.03 113.55 112.88 1j5n h SER 83 Ca 0.15 -0.35 -0.09 0.00 -1.23 0.00 0.00 61.79 60.27 1j5n h SER 83 Cb 0.78 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 1j5n h SER 83 CO -0.00 1.16 -0.32 -0.08 -0.53 0.00 0.00 176.83 177.07 1j5n h GLU 84 N 0.17 0.25 -0.00 2.24 4.57 -0.25 -1.95 114.58 119.61 1j5n h GLU 84 Ca -0.07 -0.10 -0.10 0.00 -1.18 0.00 0.00 59.36 57.91 1j5n h GLU 84 Cb 1.59 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 30.18 1j5n h GLU 84 CO 0.16 0.55 -0.40 1.57 -1.18 0.00 0.00 179.01 179.71 1j5n h LYS 85 N 0.22 0.28 -0.83 1.92 2.10 -1.21 0.48 116.57 119.54 1j5n h LYS 85 Ca 0.03 -0.29 0.16 0.00 -2.00 0.00 0.00 60.65 58.55 1j5n h LYS 85 Cb 0.67 0.08 -0.06 0.00 -0.90 0.00 0.00 32.23 32.03 1j5n h LYS 85 CO 0.05 1.00 0.55 1.05 -2.00 0.00 0.00 179.45 180.09 1j5n h GLU 86 N -0.32 0.47 0.00 0.07 4.11 -1.26 0.55 114.58 118.20 1j5n h GLU 86 Ca -0.05 -0.03 -0.08 0.00 0.07 0.00 0.00 59.36 59.27 1j5n h GLU 86 Cb 1.13 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1j5n h GLU 86 CO 0.08 0.31 -0.91 1.25 0.07 0.00 0.00 179.01 179.81 1j5n h LEU 87 N 0.48 0.00 -1.20 3.06 6.46 -1.32 -1.83 115.31 120.96 1j5n h LEU 87 Ca 0.42 0.00 0.16 0.00 -0.12 0.00 0.00 57.88 58.33 1j5n h LEU 87 Cb 0.90 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.75 1j5n h LEU 87 CO -0.16 0.32 0.60 0.22 -0.62 0.00 0.00 178.44 178.81 1j5n h TYR 88 N 0.00 0.90 0.00 1.25 3.20 0.51 0.67 116.97 123.50 1j5n h TYR 88 Ca -0.06 0.03 -0.33 0.00 3.14 0.00 0.00 58.73 61.51 1j5n h TYR 88 Cb 1.30 -0.28 -0.06 0.00 1.54 0.00 0.00 36.73 39.23 1j5n h TYR 88 CO 0.00 0.29 -2.03 0.27 -1.64 0.00 0.00 178.16 175.05 1j5n n ASN 89 N -4.61 0.53 0.00 -2.11 0.23 -0.77 -1.60 115.26 106.93 1j5n n ASN 89 Ca 0.19 0.22 0.10 0.00 -0.53 0.00 0.00 54.58 54.56 1j5n n ASN 89 Cb 0.51 0.39 0.61 0.00 -2.08 0.00 0.00 39.78 39.20 1j5n n ASN 89 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1j5n n ALA 90 N -2.66 2.44 0.00 -2.53 0.00 -0.57 -1.63 120.51 115.56 1j5n n ALA 90 Ca -0.25 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1j5n n ALA 90 Cb 1.10 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1j5n n ALA 90 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1j5n n THR 91 N -0.89 0.00 0.12 0.00 5.66 0.22 -4.81 114.28 114.58 1j5n n THR 91 Ca 0.15 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.13 1j5n n THR 91 Cb 0.07 -0.74 0.19 0.00 -1.55 0.00 0.00 70.33 68.30 1j5n n THR 91 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 175.07 172.19 1j5n h LEU 92 N 0.00 0.13 0.00 1.09 8.10 -1.40 -3.51 115.31 119.72 1j5n h LEU 92 Ca 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 57.88 57.92 1j5n h LEU 92 Cb 0.43 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.61 1j5n h LEU 92 CO 0.00 0.65 0.00 0.00 -4.11 0.00 0.00 178.44 174.98