#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5n h VAL 2 N 0.00 0.47 -1.41 2.03 -1.51 -2.12 -3.43 116.25 110.28 1j5n h VAL 2 Ca 0.00 -0.15 0.11 0.00 -1.23 0.00 0.00 66.70 65.43 1j5n h VAL 2 Cb 0.00 0.00 -0.28 0.00 -2.13 0.00 0.00 31.29 28.88 1j5n h VAL 2 CO 0.00 0.08 0.61 -0.89 -1.23 0.00 0.00 177.57 176.14 1j5n s THR 3 N -5.84 0.00 -0.20 7.19 2.01 -1.26 -5.13 115.64 112.41 1j5n s THR 3 Ca -0.11 0.00 -0.36 0.00 0.31 0.00 0.00 61.69 61.52 1j5n s THR 3 Cb 0.26 -1.00 -0.13 0.00 0.01 0.00 0.00 72.50 71.64 1j5n s THR 3 CO 0.78 0.00 1.88 -2.65 -0.69 0.00 0.00 174.62 173.95 1j5n n PRO 4 N 1.91 1.66 -0.99 4.92 -0.02 -1.26 -4.86 135.00 136.36 1j5n n PRO 4 Ca -0.11 0.59 -0.12 0.00 -2.02 0.00 0.00 63.50 61.84 1j5n n PRO 4 Cb 0.56 -2.44 0.21 0.00 -0.02 0.00 0.00 33.50 31.82 1j5n n PRO 4 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1j5n n ARG 5 N 6.46 2.35 -2.73 -0.52 1.74 -1.26 -4.48 116.66 118.22 1j5n n ARG 5 Ca 0.27 -3.08 -0.05 0.00 -0.77 0.00 0.00 57.85 54.21 1j5n n ARG 5 Cb 0.23 -2.02 0.04 0.00 -1.02 0.00 0.00 32.46 29.68 1j5n n ARG 5 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1j5n n GLU 6 N -0.95 1.42 -1.94 5.56 -0.00 -1.26 -5.12 120.64 118.34 1j5n n GLU 6 Ca 0.44 -3.37 -0.34 0.00 -0.00 0.00 0.00 57.16 53.89 1j5n n GLU 6 Cb 1.34 -1.41 0.03 0.00 -0.00 0.00 0.00 31.44 31.40 1j5n n GLU 6 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1j5n s PRO 7 N -3.42 3.00 0.22 3.44 0.04 -1.26 -5.07 135.00 131.95 1j5n s PRO 7 Ca 0.27 1.48 -0.09 0.00 0.04 0.00 0.00 61.00 62.70 1j5n s PRO 7 Cb 0.40 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.96 1j5n s PRO 7 CO 0.00 -1.10 0.35 -1.59 0.04 0.00 0.00 177.00 174.70 1j5n s LYS 8 N -3.78 1.38 -1.81 4.56 0.00 -1.26 -4.72 119.74 114.10 1j5n s LYS 8 Ca 0.69 -1.33 0.00 0.00 0.00 0.00 0.00 55.97 55.34 1j5n s LYS 8 Cb -0.22 0.40 0.00 0.00 0.00 0.00 0.00 37.83 38.01 1j5n s LYS 8 CO 0.36 -0.53 0.00 1.63 0.00 0.00 0.00 175.35 176.81 1j5n n LYS 9 N -0.32 -1.41 0.00 1.78 4.76 -1.26 -4.56 118.16 117.15 1j5n n LYS 9 Ca -0.02 1.04 0.00 0.00 -2.87 0.00 0.00 58.31 56.46 1j5n n LYS 9 Cb 0.63 -5.47 0.00 0.00 -1.84 0.00 0.00 35.03 28.35 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 -2.63 0.00 -1.49 1.97 3.00 -1.26 -5.03 116.66 111.21 1j5n n ARG 10 Ca -0.21 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.63 1j5n n ARG 10 Cb 0.65 -0.02 -0.00 0.00 0.00 0.00 0.00 32.46 33.08 1j5n n ARG 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1j5n n THR 11 N -1.48 -0.01 -1.39 0.55 -1.04 -1.26 -4.78 114.28 104.87 1j5n n THR 11 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1j5n n THR 11 Cb 0.00 -0.56 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 1j5n n THR 11 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1j5n n THR 12 N -3.47 0.00 -0.97 12.58 -1.04 -1.26 -4.88 114.28 115.24 1j5n n THR 12 Ca -0.01 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.59 1j5n n THR 12 Cb 0.25 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.69 1j5n n THR 12 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1j5n n ARG 13 N -0.41 0.00 0.00 -2.82 -4.01 -1.26 -4.82 116.66 103.34 1j5n n ARG 13 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1j5n n ARG 13 Cb 0.00 -0.96 0.00 0.00 -3.04 0.00 0.00 32.46 28.46 1j5n n ARG 13 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 1j5n n LYS 14 N 3.62 0.00 -3.59 2.89 3.00 -1.26 -5.15 118.16 117.68 1j5n n LYS 14 Ca 0.27 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.44 1j5n n LYS 14 Cb -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.93 1j5n n LYS 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1j5n s LYS 15 N 0.00 0.85 0.00 1.64 2.20 -1.26 -5.13 119.74 118.04 1j5n s LYS 15 Ca 0.00 0.64 0.00 0.00 -0.36 0.00 0.00 55.97 56.25 1j5n s LYS 15 Cb 0.00 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.73 1j5n s LYS 15 CO 0.00 -0.18 0.00 1.17 -0.36 0.00 0.00 175.35 175.98 1j5n n LYS 16 N 1.89 0.00 0.00 4.03 4.81 -1.26 -5.17 118.16 122.46 1j5n n LYS 16 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 1j5n n LYS 16 Cb 0.56 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.61 1j5n n LYS 16 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1j5n n ASP 17 N 0.00 0.00 0.33 3.14 9.92 -1.26 -4.90 116.55 123.78 1j5n n ASP 17 Ca 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.13 1j5n n ASP 17 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 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 -0.82 0.00 -0.24 0.13 -2.02 -3.29 132.00 125.76 1j5n h PRO 18 Ca 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1j5n h PRO 18 Cb 0.00 0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.32 1j5n h PRO 18 CO 0.00 -0.55 -1.11 0.09 -0.23 0.00 0.00 178.00 176.20 1j5n n ASN 19 N -4.36 0.62 -2.77 1.44 3.02 -1.26 -5.03 115.26 106.92 1j5n n ASN 19 Ca -0.11 0.06 -0.04 0.00 -0.03 0.00 0.00 54.58 54.46 1j5n n ASN 19 Cb 0.33 0.76 0.00 0.00 -0.61 0.00 0.00 39.78 40.27 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 -2.02 -1.86 -0.04 5.41 0.00 -1.24 -4.81 120.51 115.95 1j5n n ALA 20 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.49 1j5n n ALA 20 Cb 0.50 -0.59 0.34 0.00 0.00 0.00 0.00 19.45 19.70 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 2.98 0.61 -3.29 0.00 0.11 -1.94 -3.48 132.00 126.99 1j5n h PRO 21 Ca -0.06 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1j5n h PRO 21 Cb 0.87 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1j5n h PRO 21 CO 0.02 0.49 -0.05 1.63 -0.21 0.00 0.00 178.00 179.88 1j5n n LYS 22 N -4.38 -0.28 -0.14 1.05 5.02 -1.26 -4.78 118.16 113.38 1j5n n LYS 22 Ca 0.03 0.69 -0.05 0.00 -2.02 0.00 0.00 58.31 56.97 1j5n n LYS 22 Cb 0.13 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.12 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 -0.95 1.97 1.85 -1.26 -4.84 116.66 112.87 1j5n n ARG 23 Ca 0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.58 1j5n n ARG 23 Cb 0.12 -0.11 0.21 0.00 -1.05 0.00 0.00 32.46 31.62 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 -0.21 0.38 1.00 2.89 0.00 -1.26 -5.03 121.76 119.53 1j5n s ALA 24 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1j5n s ALA 24 Cb -0.06 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1j5n s ALA 24 CO 0.07 -3.25 0.00 1.28 0.00 0.00 0.00 175.76 173.86 1j5n n LEU 25 N -4.48 0.00 -4.36 0.00 4.32 -1.26 -4.99 117.00 106.23 1j5n n LEU 25 Ca 0.04 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.84 1j5n n LEU 25 Cb 0.56 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.26 1j5n n LEU 25 CO 0.58 -1.35 -0.39 -0.55 -1.22 0.00 0.00 177.39 174.46 1j5n s SER 26 N -1.87 2.42 0.64 -1.43 0.15 -1.26 -4.86 113.70 107.49 1j5n s SER 26 Ca 0.00 -1.12 0.41 0.00 0.70 0.00 0.00 55.95 55.94 1j5n s SER 26 Cb 0.00 -0.11 2.21 0.00 -1.71 0.00 0.00 66.02 66.41 1j5n s SER 26 CO 0.00 -0.32 2.31 0.00 1.20 0.00 0.00 173.24 176.43 1j5n h ALA 27 N 2.46 1.08 0.00 5.45 0.00 -1.87 -0.02 119.26 126.35 1j5n h ALA 27 Ca -0.39 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1j5n h ALA 27 Cb 1.22 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1j5n h ALA 27 CO 0.65 0.01 -0.34 -0.92 0.00 0.00 0.00 179.25 178.64 1j5n h TYR 28 N 0.00 0.00 0.09 0.00 5.03 -1.95 -2.25 116.97 117.89 1j5n h TYR 28 Ca -0.00 0.00 -0.18 0.00 2.58 0.00 0.00 58.73 61.13 1j5n h TYR 28 Cb 0.07 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.36 1j5n h TYR 28 CO 0.00 0.32 -0.86 0.52 -1.32 0.00 0.00 178.16 176.83 1j5n h MET 29 N 0.00 0.20 -0.22 1.82 0.00 -1.41 0.32 114.93 115.63 1j5n h MET 29 Ca -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 59.70 59.34 1j5n h MET 29 Cb 1.25 0.12 -0.01 0.00 0.00 0.00 0.00 31.60 32.97 1j5n h MET 29 CO 0.04 1.16 0.07 0.74 0.00 0.00 0.00 176.91 178.92 1j5n h PHE 30 N -0.54 0.36 0.10 -0.22 0.04 -1.56 0.40 116.94 115.52 1j5n h PHE 30 Ca -0.18 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.55 1j5n h PHE 30 Cb 1.51 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 39.56 1j5n h PHE 30 CO 0.19 0.43 -0.05 0.35 -0.60 0.00 0.00 178.31 178.63 1j5n h PHE 31 N 0.19 -0.12 -0.12 -0.55 3.57 -1.55 -1.75 116.94 116.60 1j5n h PHE 31 Ca 0.07 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.60 1j5n h PHE 31 Cb 0.24 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 1j5n h PHE 31 CO 0.00 0.11 0.20 0.00 -2.23 0.00 0.00 178.31 176.40 1j5n h ALA 32 N 0.53 1.58 -0.02 2.41 0.00 -0.83 -0.06 119.26 122.88 1j5n h ALA 32 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1j5n h ALA 32 Cb 0.29 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1j5n h ALA 32 CO 0.02 -0.26 -0.00 -0.91 0.00 0.00 0.00 179.25 178.09 1j5n h ASN 33 N 0.00 0.03 -0.45 0.00 -0.26 0.69 0.14 115.58 115.73 1j5n h ASN 33 Ca 0.06 -0.37 -0.04 0.00 -0.56 0.00 0.00 56.30 55.39 1j5n h ASN 33 Cb 0.46 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.69 1j5n h ASN 33 CO -0.00 0.39 0.13 -0.33 -1.06 0.00 0.00 177.43 176.56 1j5n h GLU 34 N -0.34 0.70 0.00 0.81 4.39 -0.68 -3.33 114.58 116.13 1j5n h GLU 34 Ca 0.00 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1j5n h GLU 34 Cb 0.38 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1j5n h GLU 34 CO 0.00 0.69 0.00 0.09 -1.16 0.00 0.00 179.01 178.63 1j5n n ASN 35 N -4.54 0.00 0.00 1.42 5.03 -0.24 -2.26 115.26 114.67 1j5n n ASN 35 Ca 0.01 0.76 0.00 0.00 0.87 0.00 0.00 54.58 56.22 1j5n n ASN 35 Cb 0.20 -0.35 0.00 0.00 -1.02 0.00 0.00 39.78 38.61 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 -1.54 0.00 0.06 3.52 0.63 0.47 0.45 116.66 120.25 1j5n n ARG 36 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 1j5n n ARG 36 Cb 0.00 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 32.82 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 -0.15 0.05 6.15 5.19 -1.70 -2.21 116.42 123.75 1j5n h ASP 37 Ca 0.00 -0.33 -0.00 0.00 -0.62 0.00 0.00 57.03 56.08 1j5n h ASP 37 Cb 0.00 0.04 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 1j5n h ASP 37 CO 0.00 0.27 -0.05 0.40 -3.12 0.00 0.00 179.24 176.74 1j5n h ILE 38 N -0.60 0.00 -0.56 0.35 5.03 1.01 0.54 117.51 123.27 1j5n h ILE 38 Ca -0.02 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.78 1j5n h ILE 38 Cb 0.47 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 34.17 1j5n h ILE 38 CO 0.03 0.00 -0.55 1.62 -0.68 0.00 0.00 178.15 178.57 1j5n h VAL 39 N -0.10 0.00 0.00 1.67 3.04 -0.30 0.29 116.25 120.85 1j5n h VAL 39 Ca -0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 1j5n h VAL 39 Cb 0.09 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.37 1j5n h VAL 39 CO -0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.57 176.47 1j5n h ARG 40 N -0.27 0.00 -0.03 4.17 2.43 -1.42 -0.99 114.38 118.26 1j5n h ARG 40 Ca 0.09 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.10 1j5n h ARG 40 Cb 0.52 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1j5n h ARG 40 CO -0.67 0.00 -0.71 1.03 -1.51 0.00 0.00 179.97 178.11 1j5n h SER 41 N 0.00 0.21 0.49 -3.80 0.87 0.38 0.21 113.55 111.91 1j5n h SER 41 Ca 0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1j5n h SER 41 Cb 0.35 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1j5n h SER 41 CO 0.00 0.84 -1.20 -0.62 -0.53 0.00 0.00 176.83 175.32 1j5n n GLU 42 N -3.77 0.43 -3.16 2.24 1.02 -0.56 -4.47 120.64 112.37 1j5n n GLU 42 Ca -0.02 -0.01 -0.18 0.00 -0.02 0.00 0.00 57.16 56.93 1j5n n GLU 42 Cb 0.69 -1.64 -0.03 0.00 -0.02 0.00 0.00 31.44 30.44 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 -2.19 1.02 0.10 1.62 3.02 -0.43 -4.93 115.26 113.47 1j5n n ASN 43 Ca 0.00 -3.03 0.06 0.00 -0.03 0.00 0.00 54.58 51.58 1j5n n ASN 43 Cb 0.49 -0.61 0.33 0.00 -0.61 0.00 0.00 39.78 39.37 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 0.24 0.08 -0.03 3.52 -0.02 0.75 -2.26 135.00 137.27 1j5n n PRO 44 Ca 0.25 0.56 -0.09 0.00 -2.02 0.00 0.00 63.50 62.20 1j5n n PRO 44 Cb 0.65 -1.80 -0.08 0.00 -0.02 0.00 0.00 33.50 32.26 1j5n n PRO 44 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1j5n h ASP 45 N 0.00 -0.05 -2.01 2.55 3.58 -1.92 -3.46 116.42 115.12 1j5n h ASP 45 Ca 0.00 -0.53 -0.64 0.00 0.42 0.00 0.00 57.03 56.28 1j5n h ASP 45 Cb 0.09 0.01 0.09 0.00 1.72 0.00 0.00 39.33 41.24 1j5n h ASP 45 CO 0.00 0.68 0.19 2.30 -2.88 0.00 0.00 179.24 179.54 1j5n n ILE 46 N -4.74 1.20 -2.87 2.25 -5.35 -0.96 -4.99 119.36 103.91 1j5n n ILE 46 Ca -0.06 -0.30 -0.15 0.00 -0.27 0.00 0.00 62.75 61.97 1j5n n ILE 46 Cb 0.28 -0.83 0.06 0.00 -1.74 0.00 0.00 39.64 37.41 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 1.12 0.00 -0.32 7.28 -2.24 -1.26 -4.48 114.28 114.37 1j5n n THR 47 Ca 0.14 -1.30 0.29 0.00 -2.27 0.00 0.00 64.05 60.91 1j5n n THR 47 Cb 0.26 -0.77 0.54 0.00 -2.10 0.00 0.00 70.33 68.26 1j5n n THR 47 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1j5n n PHE 48 N -2.06 1.07 -0.26 4.78 7.35 -1.26 -0.01 117.46 127.06 1j5n n PHE 48 Ca 0.12 1.17 -0.06 0.00 -0.76 0.00 0.00 57.45 57.92 1j5n n PHE 48 Cb 0.43 -1.52 0.08 0.00 0.35 0.00 0.00 39.48 38.82 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 1.22 0.00 7.13 0.00 -1.95 0.28 103.07 109.75 1j5n h GLY 49 Ca 0.80 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1j5n h GLY 49 CO -0.79 0.65 -0.24 0.06 0.00 0.00 0.00 176.54 176.22 1j5n h GLN 50 N 1.10 0.00 -0.86 4.80 -0.00 -0.77 -3.12 115.11 116.26 1j5n h GLN 50 Ca 0.25 0.00 0.17 0.00 -0.00 0.00 0.00 58.65 59.06 1j5n h GLN 50 Cb 0.26 0.00 -0.07 0.00 -0.00 0.00 0.00 27.48 27.67 1j5n h GLN 50 CO -0.01 0.00 0.57 -0.24 -0.00 0.00 0.00 178.83 179.14 1j5n h VAL 51 N -0.52 0.76 0.00 1.86 3.04 -1.00 0.30 116.25 120.70 1j5n h VAL 51 Ca 0.00 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 1j5n h VAL 51 Cb 0.24 0.19 0.00 0.00 -2.01 0.00 0.00 31.29 29.71 1j5n h VAL 51 CO 0.00 0.10 0.00 0.61 -1.01 0.00 0.00 177.57 177.27 1j5n n GLY 52 N -1.48 1.46 0.32 3.17 0.00 0.98 -1.46 105.19 108.18 1j5n n GLY 52 Ca 0.17 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.33 -0.07 0.05 1.61 5.02 -1.10 0.18 118.16 123.52 1j5n n LYS 53 Ca 0.00 1.40 -0.12 0.00 -2.02 0.00 0.00 58.31 57.56 1j5n n LYS 53 Cb 0.00 -2.35 -0.08 0.00 -0.02 0.00 0.00 35.03 32.59 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 -0.05 -0.83 1.97 1.63 -1.06 -2.29 116.57 115.94 1j5n h LYS 54 Ca 0.69 0.00 0.17 0.00 -0.85 0.00 0.00 60.65 60.66 1j5n h LYS 54 Cb 1.65 0.01 -0.16 0.00 -0.60 0.00 0.00 32.23 33.13 1j5n h LYS 54 CO -0.84 0.06 -0.21 -0.11 -3.45 0.00 0.00 179.45 174.91 1j5n n LEU 55 N -5.06 -0.30 -0.17 5.20 0.00 0.48 0.22 117.00 117.36 1j5n n LEU 55 Ca -0.08 1.43 -0.09 0.00 0.00 0.00 0.00 56.01 57.28 1j5n n LEU 55 Cb 0.09 -0.43 0.01 0.00 0.00 0.00 0.00 43.42 43.09 1j5n n LEU 55 CO 0.33 -1.38 0.92 1.23 0.00 0.00 0.00 177.39 178.50 1j5n h GLY 56 N 0.00 0.82 0.29 -3.96 0.00 -1.08 0.38 103.07 99.52 1j5n h GLY 56 Ca 0.40 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1j5n h GLY 56 CO -0.86 0.45 -0.43 -2.09 0.00 0.00 0.00 176.54 173.61 1j5n h GLU 57 N 0.66 -0.72 0.00 4.80 4.22 0.32 -0.99 114.58 122.87 1j5n h GLU 57 Ca 0.16 0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.64 1j5n h GLU 57 Cb 0.26 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1j5n h GLU 57 CO -0.01 -0.48 -0.06 0.87 -2.18 0.00 0.00 179.01 177.15 1j5n h LYS 58 N -0.75 0.00 -0.06 1.92 1.57 -0.75 -1.23 116.57 117.27 1j5n h LYS 58 Ca -0.03 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1j5n h LYS 58 Cb 0.68 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 1j5n h LYS 58 CO -0.12 0.06 -0.13 2.35 -0.57 0.00 0.00 179.45 181.03 1j5n h TRP 59 N 0.00 -0.34 0.00 -1.35 -0.00 0.11 -1.57 115.95 112.80 1j5n h TRP 59 Ca -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.90 1j5n h TRP 59 Cb 0.23 0.16 0.00 0.00 -0.00 0.00 0.00 29.16 29.55 1j5n h TRP 59 CO 0.00 -0.20 -0.46 1.63 -0.00 0.00 0.00 178.44 179.42 1j5n n LYS 60 N -5.27 0.26 0.15 2.65 5.02 -0.90 -3.80 118.16 116.26 1j5n n LYS 60 Ca -0.04 0.11 0.01 0.00 -2.02 0.00 0.00 58.31 56.36 1j5n n LYS 60 Cb 0.19 -1.70 0.20 0.00 -0.02 0.00 0.00 35.03 33.70 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 2.56 0.93 -2.32 7.82 0.00 -0.54 -3.36 119.26 124.35 1j5n h ALA 61 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1j5n h ALA 61 Cb 0.72 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1j5n h ALA 61 CO 0.00 0.70 0.00 1.28 0.00 0.00 0.00 179.25 181.23 1j5n n LEU 62 N -3.66 0.00 0.00 0.00 4.77 -0.65 -5.04 117.00 112.42 1j5n n LEU 62 Ca -0.01 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1j5n n LEU 62 Cb 0.61 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1j5n n LEU 62 CO 0.41 -0.11 0.00 0.41 -1.33 0.00 0.00 177.39 176.76 1j5n n THR 63 N -0.97 0.00 0.12 -5.08 -1.04 -1.26 -4.84 114.28 101.21 1j5n n THR 63 Ca 0.00 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.16 1j5n n THR 63 Cb 0.00 0.00 0.43 0.00 -1.82 0.00 0.00 70.33 68.94 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 0.00 0.20 -2.82 0.11 -1.95 0.68 132.00 128.22 1j5n h PRO 64 Ca 0.00 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.83 1j5n h PRO 64 Cb 0.00 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.14 1j5n h PRO 64 CO 0.00 0.00 -1.24 1.49 -0.21 0.00 0.00 178.00 178.04 1j5n h GLU 65 N 0.00 0.48 0.00 1.05 4.81 -1.99 0.94 114.58 119.87 1j5n h GLU 65 Ca 0.19 -0.79 -0.07 0.00 -0.13 0.00 0.00 59.36 58.56 1j5n h GLU 65 Cb 1.86 0.29 -0.01 0.00 0.63 0.00 0.00 28.75 31.52 1j5n h GLU 65 CO -0.00 1.37 -0.33 0.93 -0.73 0.00 0.00 179.01 180.25 1j5n h GLU 66 N -0.01 0.00 0.00 1.92 4.39 -0.02 -3.00 114.58 117.86 1j5n h GLU 66 Ca -0.21 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.25 1j5n h GLU 66 Cb 1.97 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.58 1j5n h GLU 66 CO 0.23 0.33 -1.60 1.63 -1.16 0.00 0.00 179.01 178.45 1j5n n LYS 67 N -3.65 0.63 -0.40 2.33 5.02 -0.40 -4.10 118.16 117.59 1j5n n LYS 67 Ca -0.01 0.25 0.32 0.00 -2.02 0.00 0.00 58.31 56.85 1j5n n LYS 67 Cb 0.44 -1.79 0.62 0.00 -0.02 0.00 0.00 35.03 34.28 1j5n n LYS 67 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 1j5n h GLN 68 N 0.00 0.18 0.12 1.97 3.07 -0.65 0.49 115.11 120.29 1j5n h GLN 68 Ca -0.23 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.49 1j5n h GLN 68 Cb 1.81 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 29.33 1j5n h GLN 68 CO 0.06 0.12 -0.06 -1.35 0.09 0.00 0.00 178.83 177.69 1j5n h PRO 69 N 0.19 -0.16 0.00 0.06 0.11 -1.71 0.13 132.00 130.61 1j5n h PRO 69 Ca 0.71 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.80 1j5n h PRO 69 Cb 2.19 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 33.33 1j5n h PRO 69 CO -0.30 -0.04 -0.20 1.88 -0.21 0.00 0.00 178.00 179.13 1j5n h TYR 70 N -0.24 0.00 -0.83 0.65 0.05 -1.16 -1.58 116.97 113.86 1j5n h TYR 70 Ca -0.02 0.00 0.20 0.00 0.05 0.00 0.00 58.73 58.97 1j5n h TYR 70 Cb 0.19 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 37.79 1j5n h TYR 70 CO -0.04 0.50 0.08 1.49 -1.05 0.00 0.00 178.16 179.13 1j5n h GLU 71 N -1.00 0.12 -0.87 4.88 4.81 -0.27 2.67 114.58 124.93 1j5n h GLU 71 Ca -0.04 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1j5n h GLU 71 Cb 0.55 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 1j5n h GLU 71 CO -0.02 0.08 0.44 0.00 -0.73 0.00 0.00 179.01 178.77 1j5n h ALA 72 N 1.77 1.13 0.00 2.92 0.00 -1.08 0.47 119.26 124.47 1j5n h ALA 72 Ca 0.48 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1j5n h ALA 72 Cb 0.90 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1j5n h ALA 72 CO -0.70 0.67 0.00 1.17 0.00 0.00 0.00 179.25 180.39 1j5n n LYS 73 N -4.31 0.14 0.01 0.00 4.81 0.78 -1.40 118.16 118.18 1j5n n LYS 73 Ca 0.09 0.53 -0.17 0.00 -0.87 0.00 0.00 58.31 57.88 1j5n n LYS 73 Cb 0.13 -1.86 -0.13 0.00 0.02 0.00 0.00 35.03 33.19 1j5n n LYS 73 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1j5n h ALA 74 N 2.12 -0.02 -0.33 3.14 0.00 0.70 -1.56 119.26 123.31 1j5n h ALA 74 Ca 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 1j5n h ALA 74 Cb 0.14 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1j5n h ALA 74 CO 0.00 0.25 -0.00 1.96 0.00 0.00 0.00 179.25 181.46 1j5n h GLN 75 N -0.44 0.52 -0.30 0.00 4.20 -0.84 0.45 115.11 118.70 1j5n h GLN 75 Ca -0.08 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 1j5n h GLN 75 Cb 1.34 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 1j5n h GLN 75 CO 0.10 0.55 0.18 0.00 -0.67 0.00 0.00 178.83 178.98 1j5n h ALA 76 N 1.51 0.39 0.00 3.87 0.00 -1.22 -1.61 119.26 122.19 1j5n h ALA 76 Ca 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1j5n h ALA 76 Cb 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1j5n h ALA 76 CO 0.01 -0.10 -0.17 0.22 0.00 0.00 0.00 179.25 179.21 1j5n h ASP 77 N 0.38 0.00 -0.38 0.00 1.82 -0.75 -2.76 116.42 114.73 1j5n h ASP 77 Ca 0.11 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 1j5n h ASP 77 Cb 0.04 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.03 1j5n h ASP 77 CO -0.02 0.17 0.24 0.50 -1.61 0.00 0.00 179.24 178.52 1j5n h LYS 78 N 0.00 0.51 -0.24 0.28 3.11 0.84 -2.42 116.57 118.64 1j5n h LYS 78 Ca -0.00 -0.04 -0.06 0.00 -2.81 0.00 0.00 60.65 57.74 1j5n h LYS 78 Cb 0.82 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.93 1j5n h LYS 78 CO 0.02 0.35 -0.09 -0.22 -2.81 0.00 0.00 179.45 176.70 1j5n h LYS 79 N 0.51 0.49 -0.87 1.90 3.64 -1.34 0.64 116.57 121.54 1j5n h LYS 79 Ca 0.14 -0.20 0.10 0.00 -1.27 0.00 0.00 60.65 59.42 1j5n h LYS 79 Cb -0.04 -0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 31.64 1j5n h LYS 79 CO -0.03 0.74 -0.44 -2.13 -2.27 0.00 0.00 179.45 175.32 1j5n n ARG 80 N -4.52 -0.30 0.10 1.90 3.00 -0.99 0.14 116.66 115.98 1j5n n ARG 80 Ca -0.04 1.32 -0.03 0.00 -0.00 0.00 0.00 57.85 59.10 1j5n n ARG 80 Cb 0.33 -1.95 0.03 0.00 0.00 0.00 0.00 32.46 30.86 1j5n n ARG 80 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 1j5n h TYR 81 N 0.00 0.00 -0.28 -0.14 5.03 -1.43 -3.10 116.97 117.05 1j5n h TYR 81 Ca 0.21 0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.60 1j5n h TYR 81 Cb 0.43 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.70 1j5n h TYR 81 CO -0.84 0.78 0.60 1.49 -1.32 0.00 0.00 178.16 178.88 1j5n h GLU 82 N 0.00 0.00 -0.08 1.82 4.81 0.36 0.39 114.58 121.88 1j5n h GLU 82 Ca -0.01 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1j5n h GLU 82 Cb 1.44 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.82 1j5n h GLU 82 CO 0.10 0.00 -0.12 0.77 -0.73 0.00 0.00 179.01 179.04 1j5n h SER 83 N 0.00 0.23 1.00 1.04 0.02 -1.15 -0.88 113.55 113.81 1j5n h SER 83 Ca 0.13 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1j5n h SER 83 Cb 1.33 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1j5n h SER 83 CO -0.00 0.72 0.00 1.05 -1.14 0.00 0.00 176.83 177.46 1j5n h GLU 84 N -0.24 0.00 0.09 3.45 4.11 -0.46 -2.20 114.58 119.33 1j5n h GLU 84 Ca 0.01 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.22 1j5n h GLU 84 Cb 0.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1j5n h GLU 84 CO 0.03 0.00 -1.08 1.57 0.07 0.00 0.00 179.01 179.60 1j5n h LYS 85 N 0.00 0.20 -0.38 1.06 2.10 -1.19 -0.31 116.57 118.05 1j5n h LYS 85 Ca 0.00 -0.34 -0.03 0.00 -2.00 0.00 0.00 60.65 58.28 1j5n h LYS 85 Cb 0.50 0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 31.94 1j5n h LYS 85 CO 0.00 1.16 0.10 1.05 -2.00 0.00 0.00 179.45 179.76 1j5n h GLU 86 N -0.48 0.55 0.13 0.07 4.11 -1.06 -2.29 114.58 115.61 1j5n h GLU 86 Ca -0.23 -0.09 -0.22 0.00 0.07 0.00 0.00 59.36 58.89 1j5n h GLU 86 Cb 1.59 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 30.77 1j5n h GLU 86 CO 0.04 0.50 -0.95 1.25 0.07 0.00 0.00 179.01 179.93 1j5n h LEU 87 N 0.54 0.60 -0.86 3.06 6.46 -1.52 -1.89 115.31 121.71 1j5n h LEU 87 Ca 0.13 -0.90 0.16 0.00 -0.12 0.00 0.00 57.88 57.15 1j5n h LEU 87 Cb 0.20 -0.19 -0.15 0.00 -0.73 0.00 0.00 40.66 39.78 1j5n h LEU 87 CO -0.00 1.45 -0.25 0.00 -0.62 0.00 0.00 178.44 179.01 1j5n n TYR 88 N -4.03 0.21 0.02 1.25 4.19 -0.13 0.26 117.16 118.94 1j5n n TYR 88 Ca -0.14 1.05 -0.12 0.00 3.31 0.00 0.00 57.90 62.00 1j5n n TYR 88 Cb 0.87 -0.94 0.01 0.00 0.49 0.00 0.00 39.34 39.77 1j5n n TYR 88 CO 0.00 0.00 0.00 -0.91 0.91 0.00 0.00 176.86 176.86 1j5n h ASN 89 N 0.00 0.64 0.00 2.98 2.35 -1.47 -0.23 115.58 119.85 1j5n h ASN 89 Ca 0.37 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1j5n h ASN 89 Cb 0.59 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1j5n h ASN 89 CO -0.87 1.15 0.00 0.00 -1.65 0.00 0.00 177.43 176.06 1j5n n ALA 90 N -2.54 -0.11 -0.34 -0.83 0.00 0.74 -2.23 120.51 115.20 1j5n n ALA 90 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.51 1j5n n ALA 90 Cb 0.69 0.07 0.30 0.00 0.00 0.00 0.00 19.45 20.52 1j5n n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5n h THR 91 N 0.00 0.68 -0.18 0.00 1.03 -0.33 -2.72 112.91 111.40 1j5n h THR 91 Ca 0.00 -0.24 0.02 0.00 -0.01 0.00 0.00 66.41 66.18 1j5n h THR 91 Cb 0.00 -0.07 -0.02 0.00 -1.07 0.00 0.00 68.15 66.99 1j5n h THR 91 CO 0.00 0.13 -0.11 0.18 -0.01 0.00 0.00 175.52 175.71 1j5n n LEU 92 N -4.82 -0.19 0.00 0.00 7.99 -0.10 -5.09 117.00 114.80 1j5n n LEU 92 Ca 0.22 1.04 0.00 0.00 -0.01 0.00 0.00 56.01 57.26 1j5n n LEU 92 Cb 0.56 -0.40 0.00 0.00 -0.11 0.00 0.00 43.42 43.47 1j5n n LEU 92 CO 0.20 -0.62 0.00 0.00 -1.51 0.00 0.00 177.39 175.46