#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 -1.63 0.00 2.03 0.31 -1.26 -5.14 118.33 112.65 1j5n n VAL 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1j5n n VAL 2 Cb 0.00 -2.17 0.00 0.00 -0.91 0.00 0.00 33.84 30.76 1j5n n VAL 2 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1j5n n THR 3 N 0.55 0.00 -0.15 2.52 -2.24 -1.26 -5.18 114.28 108.52 1j5n n THR 3 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1j5n n THR 3 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1j5n n THR 3 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1j5n n PRO 4 N 0.00 0.38 -0.82 -0.78 -0.04 -1.26 -4.90 135.00 127.59 1j5n n PRO 4 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 1j5n n PRO 4 Cb 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 33.57 1j5n n PRO 4 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1j5n n ARG 5 N -0.46 1.84 -2.20 0.54 0.63 -1.26 -4.96 116.66 110.78 1j5n n ARG 5 Ca 0.00 -1.95 -0.41 0.00 -0.92 0.00 0.00 57.85 54.58 1j5n n ARG 5 Cb 0.00 -1.76 -0.03 0.00 0.45 0.00 0.00 32.46 31.12 1j5n n ARG 5 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1j5n s GLU 6 N -2.15 4.41 -0.33 -0.14 0.41 -1.26 -4.94 118.70 114.70 1j5n s GLU 6 Ca 0.37 2.10 -0.29 0.00 -0.41 0.00 0.00 54.97 56.75 1j5n s GLU 6 Cb 0.31 -3.13 -0.01 0.00 -1.78 0.00 0.00 34.13 29.52 1j5n s GLU 6 CO 0.06 -0.14 1.68 -1.25 -0.49 0.00 0.00 175.26 175.12 1j5n s PRO 7 N -1.24 3.47 0.51 0.39 0.04 -1.26 -4.95 135.00 131.97 1j5n s PRO 7 Ca 0.51 1.36 -0.18 0.00 0.04 0.00 0.00 61.00 62.73 1j5n s PRO 7 Cb -0.38 -4.13 -0.14 0.00 0.04 0.00 0.00 34.50 29.89 1j5n s PRO 7 CO 0.47 -1.70 -0.07 1.63 0.04 0.00 0.00 177.00 177.37 1j5n n LYS 8 N 8.23 0.04 -4.32 4.56 4.76 -1.26 -4.98 118.16 125.20 1j5n n LYS 8 Ca 0.21 0.02 -0.25 0.00 -2.87 0.00 0.00 58.31 55.41 1j5n n LYS 8 Cb 0.47 -1.06 -0.09 0.00 -1.84 0.00 0.00 35.03 32.51 1j5n n LYS 8 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1j5n s LYS 9 N -1.11 2.07 -0.17 1.97 2.47 -1.26 -5.06 119.74 118.64 1j5n s LYS 9 Ca 0.58 -1.39 -0.21 0.00 -1.56 0.00 0.00 55.97 53.39 1j5n s LYS 9 Cb -0.49 -2.10 -0.22 0.00 -1.46 0.00 0.00 37.83 33.56 1j5n s LYS 9 CO 0.65 0.40 0.37 -0.09 0.16 0.00 0.00 175.35 176.84 1j5n h ARG 10 N 2.49 0.06 -6.33 4.03 9.65 -2.07 -3.50 114.38 118.72 1j5n h ARG 10 Ca -0.45 -0.10 -0.24 0.00 -1.10 0.00 0.00 59.98 58.09 1j5n h ARG 10 Cb 1.23 0.04 0.01 0.00 -1.39 0.00 0.00 29.97 29.86 1j5n h ARG 10 CO 0.57 1.05 -1.08 -2.37 2.80 0.00 0.00 179.97 180.93 1j5n n THR 11 N -4.30 -4.48 -0.88 0.20 5.66 -1.26 -4.41 114.28 104.81 1j5n n THR 11 Ca -0.28 0.35 -0.35 0.00 -3.05 0.00 0.00 64.05 60.72 1j5n n THR 11 Cb 0.71 -3.92 -0.09 0.00 -1.55 0.00 0.00 70.33 65.49 1j5n n THR 11 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1j5n n THR 12 N 0.23 0.00 -0.78 1.09 -2.24 -1.26 -4.71 114.28 106.61 1j5n n THR 12 Ca -0.04 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.48 1j5n n THR 12 Cb 0.59 -0.33 0.02 0.00 -2.10 0.00 0.00 70.33 68.50 1j5n n THR 12 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1j5n n ARG 13 N 5.14 0.00 0.00 -0.78 1.85 -1.26 -4.99 116.66 116.61 1j5n n ARG 13 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.24 1j5n n ARG 13 Cb -0.01 -0.69 0.00 0.00 -1.05 0.00 0.00 32.46 30.71 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 1.34 3.98 -4.04 2.89 4.81 -1.26 -5.17 118.16 120.71 1j5n n LYS 14 Ca 0.02 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.38 1j5n n LYS 14 Cb 0.35 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.30 1j5n n LYS 14 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1j5n s LYS 15 N 1.76 0.46 0.00 1.64 2.47 -1.26 -5.15 119.74 119.65 1j5n s LYS 15 Ca 0.00 -0.91 0.00 0.00 -1.56 0.00 0.00 55.97 53.50 1j5n s LYS 15 Cb 0.00 0.14 0.00 0.00 -1.46 0.00 0.00 37.83 36.51 1j5n s LYS 15 CO 0.00 -0.07 0.00 0.36 0.16 0.00 0.00 175.35 175.80 1j5n n LYS 16 N 0.89 -1.71 -1.17 4.03 2.85 -1.26 -5.17 118.16 116.62 1j5n n LYS 16 Ca -0.19 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.07 1j5n n LYS 16 Cb 0.58 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.96 1j5n n LYS 16 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1j5n n ASP 17 N 0.00 -6.62 0.22 -5.58 9.92 -1.26 -4.49 116.55 108.75 1j5n n ASP 17 Ca 0.00 0.87 -0.10 0.00 -0.53 0.00 0.00 54.79 55.03 1j5n n ASP 17 Cb 0.00 -2.96 -0.05 0.00 -0.64 0.00 0.00 41.12 37.47 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 1.65 -0.59 0.00 -0.24 0.13 -1.99 -3.25 132.00 127.71 1j5n h PRO 18 Ca 0.00 0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 65.05 1j5n h PRO 18 Cb 0.00 0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.24 1j5n h PRO 18 CO 0.00 -0.39 -0.87 -0.91 -0.23 0.00 0.00 178.00 175.60 1j5n h ASN 19 N -0.61 0.00 -5.02 1.44 2.35 -1.89 -3.49 115.58 108.36 1j5n h ASN 19 Ca -0.06 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 1j5n h ASN 19 Cb 0.48 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.86 1j5n h ASN 19 CO 0.07 0.50 -0.78 0.00 -1.65 0.00 0.00 177.43 175.57 1j5n n ALA 20 N -2.29 -1.79 0.04 -0.83 0.00 -1.23 -4.84 120.51 109.57 1j5n n ALA 20 Ca -0.02 0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 1j5n n ALA 20 Cb 0.77 -0.81 -0.05 0.00 0.00 0.00 0.00 19.45 19.36 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 2.38 -0.13 -1.43 0.00 0.11 -1.93 -3.48 132.00 127.51 1j5n h PRO 21 Ca -0.15 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1j5n h PRO 21 Cb 0.83 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1j5n h PRO 21 CO 0.06 -0.09 0.00 1.63 -0.21 0.00 0.00 178.00 179.39 1j5n n LYS 22 N -5.21 0.00 0.00 1.05 5.02 -1.26 -4.98 118.16 112.78 1j5n n LYS 22 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1j5n n LYS 22 Cb 0.14 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 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 -0.72 0.00 -4.50 1.97 1.85 -1.26 -4.84 116.66 109.16 1j5n n ARG 23 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.60 1j5n n ARG 23 Cb 0.27 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.59 1j5n n ARG 23 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1j5n s ALA 24 N -0.46 2.82 1.00 2.89 0.00 -1.26 -4.70 121.76 122.05 1j5n s ALA 24 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1j5n s ALA 24 Cb 0.00 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1j5n s ALA 24 CO 0.00 -0.33 0.00 1.28 0.00 0.00 0.00 175.76 176.71 1j5n n LEU 25 N -0.87 0.00 -4.25 0.00 4.32 -1.26 -5.00 117.00 109.94 1j5n n LEU 25 Ca -0.06 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.79 1j5n n LEU 25 Cb 0.65 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.35 1j5n n LEU 25 CO 0.37 -1.20 -0.38 -0.55 -1.22 0.00 0.00 177.39 174.40 1j5n s SER 26 N -1.82 1.64 0.61 -1.43 0.15 -1.26 -4.89 113.70 106.70 1j5n s SER 26 Ca 0.00 -1.06 0.37 0.00 0.70 0.00 0.00 55.95 55.96 1j5n s SER 26 Cb 0.00 0.02 2.03 0.00 -1.71 0.00 0.00 66.02 66.37 1j5n s SER 26 CO 0.00 -0.41 2.14 0.00 1.20 0.00 0.00 173.24 176.18 1j5n h ALA 27 N 2.75 1.07 0.00 5.45 0.00 -1.88 0.12 119.26 126.78 1j5n h ALA 27 Ca -0.37 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.38 1j5n h ALA 27 Cb 1.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1j5n h ALA 27 CO 0.64 -0.07 -0.77 -0.92 0.00 0.00 0.00 179.25 178.12 1j5n h TYR 28 N 0.00 0.00 0.10 0.00 5.03 -1.94 -2.19 116.97 117.97 1j5n h TYR 28 Ca 0.00 0.00 -0.14 0.00 2.58 0.00 0.00 58.73 61.17 1j5n h TYR 28 Cb 0.16 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.45 1j5n h TYR 28 CO 0.00 0.77 -0.63 0.52 -1.32 0.00 0.00 178.16 177.50 1j5n h MET 29 N 0.00 0.21 -0.28 1.82 0.00 -1.16 0.12 114.93 115.65 1j5n h MET 29 Ca -0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 59.70 59.29 1j5n h MET 29 Cb 1.58 0.14 -0.01 0.00 0.00 0.00 0.00 31.60 33.30 1j5n h MET 29 CO 0.10 1.18 0.05 0.74 0.00 0.00 0.00 176.91 178.98 1j5n h PHE 30 N -0.54 0.48 0.40 -0.22 0.04 -1.57 0.38 116.94 115.91 1j5n h PHE 30 Ca -0.11 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.57 1j5n h PHE 30 Cb 1.47 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 39.50 1j5n h PHE 30 CO 0.22 0.55 -0.19 0.35 -0.60 0.00 0.00 178.31 178.63 1j5n h PHE 31 N 0.28 -0.50 0.00 -0.55 3.57 -1.52 -2.23 116.94 115.99 1j5n h PHE 31 Ca 0.08 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1j5n h PHE 31 Cb 0.32 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1j5n h PHE 31 CO 0.02 -0.18 0.10 0.00 -2.23 0.00 0.00 178.31 176.02 1j5n h ALA 32 N -0.36 1.08 -0.01 2.41 0.00 -0.73 0.11 119.26 121.76 1j5n h ALA 32 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1j5n h ALA 32 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1j5n h ALA 32 CO 0.09 -0.08 -0.06 -0.91 0.00 0.00 0.00 179.25 178.29 1j5n h ASN 33 N 0.00 0.07 -0.04 0.00 2.35 0.36 0.41 115.58 118.73 1j5n h ASN 33 Ca 0.00 -0.68 -0.00 0.00 -0.55 0.00 0.00 56.30 55.07 1j5n h ASN 33 Cb 0.21 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 1j5n h ASN 33 CO 0.00 0.74 0.01 -0.33 -1.65 0.00 0.00 177.43 176.20 1j5n h GLU 34 N -0.60 0.06 0.22 0.81 4.39 -0.63 -3.31 114.58 115.52 1j5n h GLU 34 Ca -0.00 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1j5n h GLU 34 Cb 0.74 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1j5n h GLU 34 CO 0.01 0.22 -0.11 -0.91 -1.16 0.00 0.00 179.01 177.07 1j5n h ASN 35 N -0.12 -0.25 0.00 1.42 -0.26 -1.23 -2.59 115.58 112.56 1j5n h ASN 35 Ca 0.01 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1j5n h ASN 35 Cb 0.19 0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.51 1j5n h ASN 35 CO -0.00 -0.16 0.00 -1.14 -1.06 0.00 0.00 177.43 175.07 1j5n n ARG 36 N -2.91 0.00 0.01 0.81 0.63 0.14 0.42 116.66 115.75 1j5n n ARG 36 Ca -0.04 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.77 1j5n n ARG 36 Cb 0.12 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.93 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 -0.07 0.01 6.15 3.32 -1.66 -1.77 116.42 122.40 1j5n h ASP 37 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1j5n h ASP 37 Cb 0.00 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 1j5n h ASP 37 CO 0.00 0.50 -0.02 0.40 -1.72 0.00 0.00 179.24 178.40 1j5n h ILE 38 N -0.67 0.00 -0.08 0.35 5.03 0.87 0.48 117.51 123.50 1j5n h ILE 38 Ca -0.01 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.76 1j5n h ILE 38 Cb 0.56 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.30 1j5n h ILE 38 CO 0.01 0.00 -0.51 0.58 -0.68 0.00 0.00 178.15 177.56 1j5n h VAL 39 N -0.03 0.00 0.00 1.67 2.07 -0.31 0.12 116.25 119.77 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 0.03 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1j5n h VAL 39 CO -0.01 0.00 0.00 -2.11 0.02 0.00 0.00 177.57 175.47 1j5n n ARG 40 N -5.24 0.02 0.02 1.57 1.85 -0.67 -1.08 116.66 113.14 1j5n n ARG 40 Ca -0.06 0.43 -0.04 0.00 -1.00 0.00 0.00 57.85 57.18 1j5n n ARG 40 Cb 0.36 -1.55 -0.10 0.00 -1.05 0.00 0.00 32.46 30.12 1j5n n ARG 40 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1j5n h SER 41 N 0.00 0.00 0.36 2.89 0.02 0.25 -2.80 113.55 114.27 1j5n h SER 41 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1j5n h SER 41 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1j5n h SER 41 CO 0.00 0.77 -0.91 -0.62 -1.14 0.00 0.00 176.83 174.93 1j5n n GLU 42 N -3.00 0.17 -3.12 3.45 1.02 -0.24 -4.47 120.64 114.45 1j5n n GLU 42 Ca -0.11 -0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.86 1j5n n GLU 42 Cb 0.92 -1.55 -0.01 0.00 -0.02 0.00 0.00 31.44 30.78 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 -1.77 0.36 0.27 1.62 3.02 -0.30 -4.94 115.26 113.52 1j5n n ASN 43 Ca 0.03 -3.10 0.17 0.00 -0.03 0.00 0.00 54.58 51.65 1j5n n ASN 43 Cb 0.39 -0.26 0.92 0.00 -0.61 0.00 0.00 39.78 40.23 1j5n n ASN 43 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1j5n h PRO 44 N 3.02 0.00 0.32 3.52 0.11 -1.71 -2.65 132.00 134.60 1j5n h PRO 44 Ca 0.07 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 1j5n h PRO 44 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1j5n h PRO 44 CO 0.45 0.00 -0.15 0.38 -0.21 0.00 0.00 178.00 178.46 1j5n h ASP 45 N 0.00 -0.36 -2.15 -2.05 2.03 -1.92 -3.45 116.42 108.52 1j5n h ASP 45 Ca 0.00 -0.16 -0.63 0.00 -0.73 0.00 0.00 57.03 55.51 1j5n h ASP 45 Cb 0.14 0.09 0.09 0.00 -0.83 0.00 0.00 39.33 38.82 1j5n h ASP 45 CO 0.00 0.10 0.25 2.30 -1.03 0.00 0.00 179.24 180.86 1j5n n ILE 46 N -5.08 1.23 -2.85 4.15 -5.35 -1.00 -4.98 119.36 105.48 1j5n n ILE 46 Ca -0.08 -0.31 -0.21 0.00 -0.27 0.00 0.00 62.75 61.88 1j5n n ILE 46 Cb 0.26 -0.94 0.07 0.00 -1.74 0.00 0.00 39.64 37.29 1j5n n ILE 46 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1j5n s THR 47 N -0.44 2.25 0.50 7.28 -4.23 -1.26 -4.51 115.64 115.23 1j5n s THR 47 Ca 0.68 -0.84 0.43 0.00 -1.18 0.00 0.00 61.69 60.79 1j5n s THR 47 Cb -0.79 -2.41 0.63 0.00 1.34 0.00 0.00 72.50 71.27 1j5n s THR 47 CO 0.54 0.00 1.36 0.33 -0.54 0.00 0.00 174.62 176.31 1j5n n PHE 48 N -2.42 0.00 -0.04 3.99 7.35 -1.26 0.24 117.46 125.32 1j5n n PHE 48 Ca 0.14 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.69 1j5n n PHE 48 Cb 0.61 -0.42 -0.09 0.00 0.35 0.00 0.00 39.48 39.93 1j5n n PHE 48 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1j5n h GLY 49 N 0.00 0.32 0.00 7.13 0.00 -1.95 0.10 103.07 108.67 1j5n h GLY 49 Ca 0.80 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 47.67 1j5n h GLY 49 CO -0.01 0.37 -0.29 0.06 0.00 0.00 0.00 176.54 176.67 1j5n h GLN 50 N -0.20 0.00 -0.28 4.80 -0.00 -0.54 -2.60 115.11 116.29 1j5n h GLN 50 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.61 1j5n h GLN 50 Cb 0.85 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.32 1j5n h GLN 50 CO 0.05 0.63 0.04 -0.24 -0.00 0.00 0.00 178.83 179.32 1j5n h VAL 51 N -1.00 1.15 0.00 1.86 3.04 -1.14 -1.41 116.25 118.74 1j5n h VAL 51 Ca -0.07 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 1j5n h VAL 51 Cb 0.74 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 1j5n h VAL 51 CO -0.04 0.19 0.00 0.61 -1.01 0.00 0.00 177.57 177.32 1j5n n GLY 52 N -1.11 0.98 0.35 3.17 0.00 0.35 -1.84 105.19 107.09 1j5n n GLY 52 Ca 0.01 0.00 0.33 0.00 0.00 0.00 0.00 46.02 46.36 1j5n n GLY 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j5n n LYS 53 N -0.73 -0.05 0.18 1.61 5.02 -0.98 0.17 118.16 123.37 1j5n n LYS 53 Ca 0.00 1.30 -0.14 0.00 -2.02 0.00 0.00 58.31 57.45 1j5n n LYS 53 Cb 0.00 -2.40 -0.08 0.00 -0.02 0.00 0.00 35.03 32.53 1j5n n LYS 53 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1j5n h LYS 54 N 0.00 -0.39 -1.04 1.97 1.63 -1.39 -2.28 116.57 115.07 1j5n h LYS 54 Ca 0.83 0.03 0.38 0.00 -0.85 0.00 0.00 60.65 61.03 1j5n h LYS 54 Cb 2.34 0.09 -0.16 0.00 -0.60 0.00 0.00 32.23 33.90 1j5n h LYS 54 CO -0.66 -0.19 0.60 -0.07 -3.45 0.00 0.00 179.45 175.67 1j5n h LEU 55 N -0.51 0.40 0.72 5.20 3.38 0.24 0.14 115.31 124.89 1j5n h LEU 55 Ca -0.04 0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1j5n h LEU 55 Cb 0.38 0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.33 1j5n h LEU 55 CO 0.07 -0.26 -0.35 1.23 0.09 0.00 0.00 178.44 179.22 1j5n h GLY 56 N 0.17 -1.01 0.36 0.83 0.00 -0.85 0.13 103.07 102.70 1j5n h GLY 56 Ca 0.79 0.38 0.03 0.00 0.00 0.00 0.00 47.33 48.53 1j5n h GLY 56 CO -0.64 -0.37 -0.31 1.05 0.00 0.00 0.00 176.54 176.27 1j5n h GLU 57 N -1.22 -0.46 -0.36 4.80 4.11 -0.64 -0.93 114.58 119.88 1j5n h GLU 57 Ca -0.10 0.03 0.04 0.00 0.07 0.00 0.00 59.36 59.41 1j5n h GLU 57 Cb 0.75 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1j5n h GLU 57 CO 0.16 -0.31 0.24 0.87 0.07 0.00 0.00 179.01 180.05 1j5n h LYS 58 N -0.48 0.30 0.11 1.06 1.79 -0.89 0.26 116.57 118.72 1j5n h LYS 58 Ca 0.05 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1j5n h LYS 58 Cb 0.55 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.11 1j5n h LYS 58 CO -0.24 0.20 -0.20 2.35 -1.08 0.00 0.00 179.45 180.49 1j5n h TRP 59 N 0.31 -0.52 -0.01 -1.35 -0.00 0.67 -1.46 115.95 113.59 1j5n h TRP 59 Ca 0.15 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.05 1j5n h TRP 59 Cb 0.22 0.22 0.00 0.00 -0.00 0.00 0.00 29.16 29.60 1j5n h TRP 59 CO -0.00 -0.29 -0.07 1.63 -0.00 0.00 0.00 178.44 179.71 1j5n n LYS 60 N -5.32 1.23 0.03 2.65 5.02 -0.94 -3.74 118.16 117.09 1j5n n LYS 60 Ca -0.07 -0.60 -0.05 0.00 -2.02 0.00 0.00 58.31 55.58 1j5n n LYS 60 Cb 0.24 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.66 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 4.04 0.63 -2.46 7.82 0.00 0.36 -3.40 119.26 126.25 1j5n h ALA 61 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.87 1j5n h ALA 61 Cb 0.40 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1j5n h ALA 61 CO 0.00 1.21 0.00 1.28 0.00 0.00 0.00 179.25 181.74 1j5n n LEU 62 N -3.10 0.00 0.00 0.00 4.77 -0.63 -5.03 117.00 113.00 1j5n n LEU 62 Ca -0.08 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1j5n n LEU 62 Cb 0.93 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 1j5n n LEU 62 CO 0.44 -0.09 0.00 0.41 -1.33 0.00 0.00 177.39 176.82 1j5n n THR 63 N -0.78 0.00 -0.29 -5.08 -1.04 -1.26 -4.86 114.28 100.96 1j5n n THR 63 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 1j5n n THR 63 Cb 0.00 0.00 0.26 0.00 -1.82 0.00 0.00 70.33 68.77 1j5n n THR 63 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1j5n h PRO 64 N 0.00 0.16 -0.81 -2.82 0.13 -1.95 0.47 132.00 127.20 1j5n h PRO 64 Ca 0.00 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.13 1j5n h PRO 64 Cb 0.00 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.05 1j5n h PRO 64 CO 0.00 0.11 0.54 1.49 -0.23 0.00 0.00 178.00 179.90 1j5n h GLU 65 N 0.17 1.06 -0.16 0.86 4.81 -2.00 -0.74 114.58 118.58 1j5n h GLU 65 Ca 0.53 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.67 1j5n h GLU 65 Cb 1.04 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 1j5n h GLU 65 CO -0.68 0.70 -0.00 0.93 -0.73 0.00 0.00 179.01 179.24 1j5n h GLU 66 N 1.10 0.23 0.00 1.92 4.39 -0.45 -1.42 114.58 120.34 1j5n h GLU 66 Ca 0.30 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.86 1j5n h GLU 66 Cb -0.13 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 1j5n h GLU 66 CO -0.06 0.26 -0.51 0.87 -1.16 0.00 0.00 179.01 178.41 1j5n h LYS 67 N 0.23 0.00 -0.38 2.33 1.57 0.10 -3.36 116.57 117.05 1j5n h LYS 67 Ca 0.06 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1j5n h LYS 67 Cb 0.16 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 1j5n h LYS 67 CO 0.00 0.51 -0.22 1.04 -0.57 0.00 0.00 179.45 180.21 1j5n n GLN 68 N -3.37 -0.16 0.02 3.15 6.02 -0.41 0.60 117.38 123.23 1j5n n GLN 68 Ca 0.01 0.57 -0.12 0.00 -0.01 0.00 0.00 57.00 57.45 1j5n n GLN 68 Cb 0.66 -0.84 -0.05 0.00 1.02 0.00 0.00 30.24 31.03 1j5n n GLN 68 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1j5n h PRO 69 N 0.00 -0.45 0.00 -1.09 0.13 -1.77 0.32 132.00 129.14 1j5n h PRO 69 Ca 0.06 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1j5n h PRO 69 Cb 0.16 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.39 1j5n h PRO 69 CO -0.36 -0.30 -0.04 1.88 -0.23 0.00 0.00 178.00 178.95 1j5n h TYR 70 N -0.47 0.00 -0.92 1.56 0.05 -0.39 -1.36 116.97 115.44 1j5n h TYR 70 Ca 0.08 0.00 0.21 0.00 0.05 0.00 0.00 58.73 59.07 1j5n h TYR 70 Cb 0.59 0.00 -0.17 0.00 1.01 0.00 0.00 36.73 38.16 1j5n h TYR 70 CO -0.43 0.00 -0.11 1.49 -1.05 0.00 0.00 178.16 178.06 1j5n h GLU 71 N -0.75 0.02 -0.78 4.88 4.81 0.04 3.10 114.58 125.89 1j5n h GLU 71 Ca 0.00 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1j5n h GLU 71 Cb 0.04 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1j5n h GLU 71 CO 0.00 0.01 0.35 0.00 -0.73 0.00 0.00 179.01 178.64 1j5n h ALA 72 N 1.92 1.14 0.00 2.92 0.00 -1.00 0.35 119.26 124.59 1j5n h ALA 72 Ca 0.49 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1j5n h ALA 72 Cb 0.87 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1j5n h ALA 72 CO -0.90 0.64 0.00 1.63 0.00 0.00 0.00 179.25 180.61 1j5n n LYS 73 N -4.30 0.03 -0.08 0.00 5.02 0.93 -1.05 118.16 118.71 1j5n n LYS 73 Ca 0.07 0.38 -0.16 0.00 -2.02 0.00 0.00 58.31 56.58 1j5n n LYS 73 Cb 0.16 -1.57 -0.13 0.00 -0.02 0.00 0.00 35.03 33.47 1j5n n LYS 73 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j5n h ALA 74 N 2.28 0.08 0.00 7.82 0.00 0.59 -1.90 119.26 128.12 1j5n h ALA 74 Ca 0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 54.91 54.14 1j5n h ALA 74 Cb 0.16 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1j5n h ALA 74 CO 0.00 0.22 -0.26 -0.56 0.00 0.00 0.00 179.25 178.65 1j5n h GLN 75 N -0.98 0.00 -0.25 0.00 3.07 -1.08 0.31 115.11 116.18 1j5n h GLN 75 Ca -0.11 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.60 1j5n h GLN 75 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.66 1j5n h GLN 75 CO -0.06 0.26 0.02 0.00 0.09 0.00 0.00 178.83 179.14 1j5n h ALA 76 N 1.74 0.34 0.00 0.06 0.00 -1.16 -2.24 119.26 117.99 1j5n h ALA 76 Ca -0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1j5n h ALA 76 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1j5n h ALA 76 CO 0.03 0.04 -0.26 0.22 0.00 0.00 0.00 179.25 179.28 1j5n h ASP 77 N 0.22 0.00 -0.38 0.00 1.82 -0.72 -2.40 116.42 114.96 1j5n h ASP 77 Ca 0.07 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1j5n h ASP 77 Cb 0.37 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.36 1j5n h ASP 77 CO 0.01 0.26 0.23 0.50 -1.61 0.00 0.00 179.24 178.63 1j5n h LYS 78 N 0.00 0.52 -0.58 0.28 3.64 0.13 -2.05 116.57 118.51 1j5n h LYS 78 Ca -0.00 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 1j5n h LYS 78 Cb 0.73 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 1j5n h LYS 78 CO 0.03 0.38 -0.04 -0.22 -2.27 0.00 0.00 179.45 177.33 1j5n h LYS 79 N 0.50 1.05 -0.85 1.90 1.63 -1.23 0.03 116.57 119.60 1j5n h LYS 79 Ca 0.14 -0.36 0.08 0.00 -0.85 0.00 0.00 60.65 59.66 1j5n h LYS 79 Cb -0.01 -0.08 -0.10 0.00 -0.60 0.00 0.00 32.23 31.43 1j5n h LYS 79 CO -0.03 1.05 -0.53 -0.09 -3.45 0.00 0.00 179.45 176.41 1j5n h ARG 80 N 0.94 -0.03 0.00 1.90 1.12 -0.87 0.58 114.38 118.02 1j5n h ARG 80 Ca 0.16 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.94 1j5n h ARG 80 Cb 0.60 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.56 1j5n h ARG 80 CO 0.04 -0.02 -0.44 -0.92 -3.11 0.00 0.00 179.97 175.52 1j5n h TYR 81 N -0.03 0.00 -0.59 2.20 5.03 -1.40 -3.01 116.97 119.17 1j5n h TYR 81 Ca 0.14 0.00 0.17 0.00 2.58 0.00 0.00 58.73 61.62 1j5n h TYR 81 Cb 0.38 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.64 1j5n h TYR 81 CO -1.00 0.44 0.53 1.49 -1.32 0.00 0.00 178.16 178.31 1j5n h GLU 82 N 0.00 0.00 -0.07 1.82 4.81 0.22 0.67 114.58 122.02 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 1.01 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.40 1j5n h GLU 82 CO 0.06 0.00 -0.86 1.03 -0.73 0.00 0.00 179.01 178.51 1j5n h SER 83 N 0.00 0.76 0.07 1.04 0.87 -1.13 -1.83 113.55 113.32 1j5n h SER 83 Ca 0.28 -0.54 -0.07 0.00 -1.23 0.00 0.00 61.79 60.23 1j5n h SER 83 Cb 1.34 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1j5n h SER 83 CO -0.00 1.33 -0.21 -0.08 -0.53 0.00 0.00 176.83 177.33 1j5n h GLU 84 N 0.39 0.27 -0.00 2.24 4.57 0.15 -1.91 114.58 120.29 1j5n h GLU 84 Ca -0.07 -0.08 -0.10 0.00 -1.18 0.00 0.00 59.36 57.93 1j5n h GLU 84 Cb 1.48 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 30.05 1j5n h GLU 84 CO 0.16 0.48 -0.40 1.57 -1.18 0.00 0.00 179.01 179.65 1j5n h LYS 85 N 0.25 0.27 -0.76 1.92 2.10 -1.16 0.51 116.57 119.70 1j5n h LYS 85 Ca 0.04 -0.29 0.16 0.00 -2.00 0.00 0.00 60.65 58.56 1j5n h LYS 85 Cb 0.52 0.08 -0.05 0.00 -0.90 0.00 0.00 32.23 31.88 1j5n h LYS 85 CO 0.04 1.00 0.51 1.05 -2.00 0.00 0.00 179.45 180.04 1j5n h GLU 86 N -0.33 0.38 0.00 0.07 4.11 -1.20 0.50 114.58 118.11 1j5n h GLU 86 Ca -0.05 -0.02 -0.06 0.00 0.07 0.00 0.00 59.36 59.30 1j5n h GLU 86 Cb 1.13 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1j5n h GLU 86 CO 0.08 0.25 -0.97 1.25 0.07 0.00 0.00 179.01 179.68 1j5n h LEU 87 N 0.39 0.00 -1.15 3.06 6.46 -1.31 -1.64 115.31 121.12 1j5n h LEU 87 Ca 0.38 0.00 0.13 0.00 -0.12 0.00 0.00 57.88 58.27 1j5n h LEU 87 Cb 0.90 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.76 1j5n h LEU 87 CO -0.12 0.22 0.60 0.22 -0.62 0.00 0.00 178.44 178.74 1j5n h TYR 88 N 0.00 0.98 0.00 1.25 3.20 0.51 0.68 116.97 123.58 1j5n h TYR 88 Ca -0.05 0.03 -0.33 0.00 3.14 0.00 0.00 58.73 61.52 1j5n h TYR 88 Cb 1.21 -0.31 -0.06 0.00 1.54 0.00 0.00 36.73 39.11 1j5n h TYR 88 CO 0.00 0.38 -2.06 0.27 -1.64 0.00 0.00 178.16 175.11 1j5n n ASN 89 N -4.59 0.42 0.00 -2.11 0.23 -0.78 -1.62 115.26 106.80 1j5n n ASN 89 Ca 0.18 0.20 0.10 0.00 -0.53 0.00 0.00 54.58 54.53 1j5n n ASN 89 Cb 0.41 0.50 0.61 0.00 -2.08 0.00 0.00 39.78 39.22 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 -2.65 2.47 0.00 -2.53 0.00 -0.62 -1.60 120.51 115.59 1j5n n ALA 90 Ca -0.25 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1j5n n ALA 90 Cb 1.10 -1.34 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 -0.88 0.00 0.11 0.00 5.66 0.23 -4.82 114.28 114.59 1j5n n THR 91 Ca 0.15 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.12 1j5n n THR 91 Cb 0.07 -0.62 0.11 0.00 -1.55 0.00 0.00 70.33 68.35 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 0.07 -1.43 1.09 8.10 -1.40 -3.51 115.31 118.24 1j5n h LEU 92 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 57.88 57.94 1j5n h LEU 92 Cb 0.40 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 40.60 1j5n h LEU 92 CO 0.00 0.73 0.00 0.00 -4.11 0.00 0.00 178.44 175.06