#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 -0.33 -3.74 2.03 0.24 -1.26 -4.16 118.33 111.12 1j5n n VAL 2 Ca 0.00 1.66 -0.13 0.00 -2.04 0.00 0.00 64.34 63.83 1j5n n VAL 2 Cb 0.00 -2.70 -0.13 0.00 -1.47 0.00 0.00 33.84 29.54 1j5n n VAL 2 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1j5n s THR 3 N -5.22 -0.04 -0.57 3.34 2.01 -1.26 -5.11 115.64 108.80 1j5n s THR 3 Ca -0.07 0.15 -0.27 0.00 0.31 0.00 0.00 61.69 61.81 1j5n s THR 3 Cb 0.28 -0.35 -0.02 0.00 0.01 0.00 0.00 72.50 72.42 1j5n s THR 3 CO 0.66 0.06 1.84 -2.16 -0.69 0.00 0.00 174.62 174.32 1j5n s PRO 4 N 1.18 2.76 0.17 4.92 0.04 -1.26 -4.83 135.00 137.99 1j5n s PRO 4 Ca -0.09 0.73 0.19 0.00 0.04 0.00 0.00 61.00 61.88 1j5n s PRO 4 Cb -0.10 -4.35 0.84 0.00 0.04 0.00 0.00 34.50 30.93 1j5n s PRO 4 CO -0.08 -2.57 1.59 0.54 0.04 0.00 0.00 177.00 176.52 1j5n n ARG 5 N 9.04 0.12 -3.72 4.56 5.12 -1.26 -4.63 116.66 125.89 1j5n n ARG 5 Ca 0.21 0.40 -0.12 0.00 -1.93 0.00 0.00 57.85 56.41 1j5n n ARG 5 Cb 0.51 -1.75 -0.12 0.00 -1.16 0.00 0.00 32.46 29.94 1j5n n ARG 5 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1j5n s GLU 6 N -3.23 0.32 0.00 5.56 8.01 -1.26 -5.02 118.70 123.08 1j5n s GLU 6 Ca 0.04 0.61 0.15 0.00 0.01 0.00 0.00 54.97 55.78 1j5n s GLU 6 Cb 0.08 -0.01 0.83 0.00 -4.31 0.00 0.00 34.13 30.72 1j5n s GLU 6 CO 0.31 -0.13 1.38 -0.35 0.01 0.00 0.00 175.26 176.48 1j5n n PRO 7 N 3.92 0.33 0.00 0.39 -0.04 -1.26 -4.91 135.00 133.43 1j5n n PRO 7 Ca -0.22 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1j5n n PRO 7 Cb 0.55 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 1j5n n PRO 7 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1j5n n LYS 8 N -1.16 0.00 0.00 0.54 4.01 -1.26 -4.75 118.16 115.54 1j5n n LYS 8 Ca 0.09 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 1j5n n LYS 8 Cb 0.09 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.61 1j5n n LYS 8 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1j5n n LYS 9 N 0.00 0.00 -0.90 1.97 2.85 -1.26 -5.17 118.16 115.65 1j5n n LYS 9 Ca 0.00 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.38 1j5n n LYS 9 Cb 0.00 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.34 1j5n n LYS 9 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1j5n n ARG 10 N -0.20 -1.86 0.00 -1.58 3.00 -1.26 -5.02 116.66 109.73 1j5n n ARG 10 Ca 0.00 1.30 0.00 0.00 -0.01 0.00 0.00 57.85 59.14 1j5n n ARG 10 Cb 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 32.46 30.21 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 -3.27 0.00 -3.53 0.55 -1.04 -1.26 -4.94 114.28 100.79 1j5n n THR 11 Ca -0.01 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.75 1j5n n THR 11 Cb 0.41 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.91 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 0.00 -0.94 -0.83 12.58 -1.04 -1.26 -4.70 114.28 118.09 1j5n n THR 12 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 1j5n n THR 12 Cb 0.00 -1.70 -0.04 0.00 -1.82 0.00 0.00 70.33 66.77 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 -3.82 0.00 -1.12 -2.82 1.85 -1.26 -4.09 116.66 105.40 1j5n n ARG 13 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 1j5n n ARG 13 Cb 0.53 -0.80 0.00 0.00 -1.05 0.00 0.00 32.46 31.13 1j5n n ARG 13 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1j5n n LYS 14 N 1.06 0.00 0.00 2.89 5.02 -1.26 -5.07 118.16 120.79 1j5n n LYS 14 Ca 0.12 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1j5n n LYS 14 Cb 0.03 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 1j5n n LYS 14 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1j5n n LYS 15 N -0.10 0.00 0.00 1.97 4.81 -1.26 -5.12 118.16 118.47 1j5n n LYS 15 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1j5n n LYS 15 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1j5n n LYS 15 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1j5n n LYS 16 N 0.00 0.00 0.00 1.64 2.85 -1.26 -5.17 118.16 116.22 1j5n n LYS 16 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1j5n n LYS 16 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1j5n n LYS 16 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1j5n n ASP 17 N 0.00 0.00 0.16 -5.58 5.68 -1.26 -4.95 116.55 110.61 1j5n n ASP 17 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.23 1j5n n ASP 17 Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 1j5n n ASP 17 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1j5n h PRO 18 N 0.00 -0.40 0.00 0.11 0.13 -1.98 -3.32 132.00 126.54 1j5n h PRO 18 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1j5n h PRO 18 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 1j5n h PRO 18 CO 0.00 -0.26 -1.18 0.09 -0.23 0.00 0.00 178.00 176.42 1j5n n ASN 19 N -3.13 0.58 -2.58 1.44 3.02 -1.26 -5.04 115.26 108.29 1j5n n ASN 19 Ca -0.05 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1j5n n ASN 19 Cb 0.16 0.87 0.00 0.00 -0.61 0.00 0.00 39.78 40.21 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 -2.01 -1.53 0.25 5.41 0.00 -1.25 -4.90 120.51 116.48 1j5n n ALA 20 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1j5n n ALA 20 Cb 0.50 -0.40 -0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 3.53 -0.63 -0.23 0.00 0.11 -1.95 -3.50 132.00 129.34 1j5n h PRO 21 Ca 0.00 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1j5n h PRO 21 Cb 0.53 0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1j5n h PRO 21 CO 0.00 -0.42 0.00 1.63 -0.21 0.00 0.00 178.00 179.00 1j5n n LYS 22 N -4.07 0.00 -0.18 1.05 5.02 -1.26 -4.91 118.16 113.81 1j5n n LYS 22 Ca -0.08 0.04 -0.06 0.00 -2.02 0.00 0.00 58.31 56.19 1j5n n LYS 22 Cb 0.26 -0.11 -0.00 0.00 -0.02 0.00 0.00 35.03 35.15 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 -0.04 0.00 -1.08 1.97 1.85 -1.26 -4.84 116.66 113.25 1j5n n ARG 23 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.56 1j5n n ARG 23 Cb 0.00 -0.13 0.20 0.00 -1.05 0.00 0.00 32.46 31.47 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 -0.19 0.68 0.88 2.89 0.00 -1.26 -5.02 121.76 119.74 1j5n s ALA 24 Ca 0.08 -0.42 -0.00 0.00 0.00 0.00 0.00 51.96 51.62 1j5n s ALA 24 Cb -0.10 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 19.92 1j5n s ALA 24 CO 0.08 -3.08 0.01 1.28 0.00 0.00 0.00 175.76 174.05 1j5n n LEU 25 N -4.36 0.00 -4.31 0.00 4.32 -1.26 -4.93 117.00 106.46 1j5n n LEU 25 Ca 0.05 -0.01 -0.16 0.00 -0.02 0.00 0.00 56.01 55.87 1j5n n LEU 25 Cb 0.57 -0.02 -0.10 0.00 -1.62 0.00 0.00 43.42 42.25 1j5n n LEU 25 CO 0.56 -1.46 -0.34 -0.55 -1.22 0.00 0.00 177.39 174.39 1j5n s SER 26 N -1.89 1.77 0.49 -1.43 0.15 -1.26 -4.79 113.70 106.74 1j5n s SER 26 Ca 0.01 -1.19 0.29 0.00 0.70 0.00 0.00 55.95 55.77 1j5n s SER 26 Cb -0.00 0.02 1.59 0.00 -1.71 0.00 0.00 66.02 65.92 1j5n s SER 26 CO 0.01 -0.49 1.88 0.00 1.20 0.00 0.00 173.24 175.84 1j5n h ALA 27 N 2.53 1.09 0.00 5.45 0.00 -1.87 0.12 119.26 126.59 1j5n h ALA 27 Ca -0.38 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.33 1j5n h ALA 27 Cb 1.22 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1j5n h ALA 27 CO 0.64 -0.09 -1.00 -0.92 0.00 0.00 0.00 179.25 177.88 1j5n h TYR 28 N 0.00 0.00 0.11 0.00 5.03 -1.94 -2.18 116.97 117.99 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 0.20 0.00 0.02 0.00 1.55 0.00 0.00 36.73 38.50 1j5n h TYR 28 CO 0.00 0.94 -0.77 0.52 -1.32 0.00 0.00 178.16 177.53 1j5n h MET 29 N 0.00 0.32 -0.21 1.82 0.00 -1.16 0.12 114.93 115.82 1j5n h MET 29 Ca -0.03 -0.49 -0.04 0.00 0.00 0.00 0.00 59.70 59.13 1j5n h MET 29 Cb 1.74 0.18 -0.01 0.00 0.00 0.00 0.00 31.60 33.51 1j5n h MET 29 CO 0.12 1.22 -0.02 0.74 0.00 0.00 0.00 176.91 178.96 1j5n h PHE 30 N -0.33 0.43 0.28 -0.22 0.04 -1.58 0.34 116.94 115.90 1j5n h PHE 30 Ca -0.13 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.55 1j5n h PHE 30 Cb 1.58 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.62 1j5n h PHE 30 CO 0.19 0.60 -0.13 0.35 -0.60 0.00 0.00 178.31 178.71 1j5n h PHE 31 N 0.13 -0.35 -0.12 -0.55 3.57 -1.52 -2.31 116.94 115.80 1j5n h PHE 31 Ca 0.06 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1j5n h PHE 31 Cb 0.44 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 1j5n h PHE 31 CO 0.04 -0.04 0.20 0.00 -2.23 0.00 0.00 178.31 176.29 1j5n h ALA 32 N -0.05 1.57 -0.09 2.41 0.00 -0.75 0.34 119.26 122.69 1j5n h ALA 32 Ca -0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1j5n h ALA 32 Cb 0.47 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1j5n h ALA 32 CO 0.06 -0.27 -0.02 -0.91 0.00 0.00 0.00 179.25 178.12 1j5n h ASN 33 N 0.00 0.16 -0.31 0.00 2.35 0.23 0.34 115.58 118.36 1j5n h ASN 33 Ca 0.06 -0.36 -0.04 0.00 -0.55 0.00 0.00 56.30 55.41 1j5n h ASN 33 Cb 0.46 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1j5n h ASN 33 CO -0.00 0.48 0.05 -0.33 -1.65 0.00 0.00 177.43 175.99 1j5n h GLU 34 N -0.16 0.51 0.00 0.81 5.08 -0.60 -3.34 114.58 116.88 1j5n h GLU 34 Ca 0.02 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1j5n h GLU 34 Cb 0.41 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1j5n h GLU 34 CO 0.01 0.60 0.00 0.09 -1.00 0.00 0.00 179.01 178.71 1j5n n ASN 35 N -4.62 0.00 0.00 1.42 5.03 -0.26 -2.25 115.26 114.57 1j5n n ASN 35 Ca -0.02 0.79 0.00 0.00 0.87 0.00 0.00 54.58 56.22 1j5n n ASN 35 Cb 0.21 -0.41 0.00 0.00 -1.02 0.00 0.00 39.78 38.56 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 -1.74 0.00 0.05 3.52 0.63 0.12 0.40 116.66 119.65 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 -0.13 0.03 6.15 3.32 -1.68 -1.70 116.42 122.41 1j5n h ASP 37 Ca 0.00 -0.37 -0.00 0.00 0.02 0.00 0.00 57.03 56.68 1j5n h ASP 37 Cb 0.00 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1j5n h ASP 37 CO 0.00 0.33 -0.03 0.40 -1.72 0.00 0.00 179.24 178.22 1j5n h ILE 38 N -0.63 0.00 -0.25 0.35 5.03 0.83 0.49 117.51 123.33 1j5n h ILE 38 Ca -0.02 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.76 1j5n h ILE 38 Cb 0.49 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 34.21 1j5n h ILE 38 CO 0.03 0.00 -0.54 0.58 -0.68 0.00 0.00 178.15 177.54 1j5n h VAL 39 N -0.06 0.00 0.00 1.67 2.07 -0.35 0.23 116.25 119.81 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 0.05 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 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 -0.49 0.00 0.00 1.57 0.11 -1.33 0.21 114.38 114.44 1j5n h ARG 40 Ca 0.05 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.98 1j5n h ARG 40 Cb 0.63 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.69 1j5n h ARG 40 CO -0.50 0.00 -0.72 1.03 0.10 0.00 0.00 179.97 179.88 1j5n h SER 41 N 0.00 0.00 0.36 0.08 0.87 0.32 -1.60 113.55 113.58 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 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1j5n h SER 41 CO 0.00 0.72 -0.95 -0.62 -0.53 0.00 0.00 176.83 175.45 1j5n n GLU 42 N -3.38 0.19 -3.14 2.24 1.02 -0.12 -4.43 120.64 113.02 1j5n n GLU 42 Ca 0.01 -0.01 -0.19 0.00 -0.02 0.00 0.00 57.16 56.95 1j5n n GLU 42 Cb 0.79 -1.56 -0.03 0.00 -0.02 0.00 0.00 31.44 30.62 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 -1.80 1.23 0.00 1.62 3.02 -0.15 -4.92 115.26 114.26 1j5n n ASN 43 Ca 0.03 -3.07 0.04 0.00 -0.03 0.00 0.00 54.58 51.55 1j5n n ASN 43 Cb 0.40 -0.61 0.22 0.00 -0.61 0.00 0.00 39.78 39.18 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 0.21 0.12 -3.10 3.52 -0.02 -0.61 -3.37 135.00 131.77 1j5n n PRO 44 Ca 0.25 0.20 -0.22 0.00 -2.02 0.00 0.00 63.50 61.71 1j5n n PRO 44 Cb 0.64 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.58 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 -1.29 2.35 0.00 2.55 8.00 -1.26 -4.80 116.55 122.11 1j5n n ASP 45 Ca 0.04 -3.28 0.00 0.00 0.71 0.00 0.00 54.79 52.26 1j5n n ASP 45 Cb 0.07 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 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 0.13 0.00 0.00 0.53 -5.35 -1.22 -5.16 119.36 108.29 1j5n n ILE 46 Ca 0.27 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.75 1j5n n ILE 46 Cb 0.54 -0.33 0.00 0.00 -1.74 0.00 0.00 39.64 38.11 1j5n n ILE 46 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1j5n n THR 47 N -2.11 0.00 0.00 7.28 -1.04 -1.26 -4.61 114.28 112.53 1j5n n THR 47 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1j5n n THR 47 Cb 0.29 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 1j5n n THR 47 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1j5n n PHE 48 N 1.56 0.00 -0.34 -1.42 7.35 -1.26 -0.52 117.46 122.83 1j5n n PHE 48 Ca 0.00 0.00 0.26 0.00 -0.76 0.00 0.00 57.45 56.95 1j5n n PHE 48 Cb 0.00 0.00 0.41 0.00 0.35 0.00 0.00 39.48 40.24 1j5n n PHE 48 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1j5n n GLY 49 N -0.54 -0.49 0.16 7.13 0.00 -1.26 0.20 105.19 110.38 1j5n n GLY 49 Ca 0.00 0.36 -0.09 0.00 0.00 0.00 0.00 46.02 46.29 1j5n n GLY 49 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1j5n h GLN 50 N 0.00 -0.28 0.04 1.61 1.08 -1.06 -2.46 115.11 114.04 1j5n h GLN 50 Ca 0.47 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.69 1j5n h GLN 50 Cb 1.85 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 29.34 1j5n h GLN 50 CO -0.04 0.05 -0.02 -0.24 -0.95 0.00 0.00 178.83 177.62 1j5n h VAL 51 N -0.97 1.24 0.48 -0.54 3.04 0.33 -0.64 116.25 119.18 1j5n h VAL 51 Ca -0.03 -0.94 -0.01 0.00 -1.01 0.00 0.00 66.70 64.71 1j5n h VAL 51 Cb 0.45 1.86 -0.02 0.00 -2.01 0.00 0.00 31.29 31.56 1j5n h VAL 51 CO 0.05 0.24 -0.48 1.23 -1.01 0.00 0.00 177.57 177.60 1j5n h GLY 52 N -0.48 -1.18 2.00 3.17 0.00 -0.53 0.49 103.07 106.54 1j5n h GLY 52 Ca -0.01 0.56 -0.02 0.00 0.00 0.00 0.00 47.33 47.86 1j5n h GLY 52 CO 0.01 -0.36 -0.10 0.50 0.00 0.00 0.00 176.54 176.58 1j5n h LYS 53 N -0.96 0.00 0.00 4.80 1.57 -1.54 0.39 116.57 120.82 1j5n h LYS 53 Ca -0.05 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1j5n h LYS 53 Cb 0.84 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 1j5n h LYS 53 CO -0.07 0.10 -0.17 0.87 -0.57 0.00 0.00 179.45 179.62 1j5n h LYS 54 N 0.00 0.00 -0.04 3.15 1.79 -0.37 -2.48 116.57 118.62 1j5n h LYS 54 Ca -0.00 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 1j5n h LYS 54 Cb 0.21 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1j5n h LYS 54 CO 0.01 0.17 -0.73 -0.07 -1.08 0.00 0.00 179.45 177.75 1j5n h LEU 55 N 0.00 0.71 0.12 2.94 3.38 0.22 -0.78 115.31 121.90 1j5n h LEU 55 Ca -0.00 -0.72 -0.01 0.00 0.09 0.00 0.00 57.88 57.25 1j5n h LEU 55 Cb 0.91 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1j5n h LEU 55 CO 0.02 1.32 -0.06 1.23 0.09 0.00 0.00 178.44 181.05 1j5n h GLY 56 N 0.16 -0.17 0.90 0.83 0.00 -1.40 0.47 103.07 103.86 1j5n h GLY 56 Ca -0.08 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1j5n h GLY 56 CO 0.15 -0.06 -0.12 1.05 0.00 0.00 0.00 176.54 177.55 1j5n h GLU 57 N -0.51 -0.33 0.00 4.80 4.11 -1.56 -2.18 114.58 118.92 1j5n h GLU 57 Ca -0.02 0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.42 1j5n h GLU 57 Cb 0.41 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1j5n h GLU 57 CO 0.03 -0.15 -0.10 0.87 0.07 0.00 0.00 179.01 179.73 1j5n h LYS 58 N -0.45 0.00 0.83 1.06 1.57 -1.20 0.68 116.57 119.06 1j5n h LYS 58 Ca -0.03 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1j5n h LYS 58 Cb 0.34 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.65 1j5n h LYS 58 CO 0.06 0.10 -0.42 2.35 -0.57 0.00 0.00 179.45 180.96 1j5n h TRP 59 N 0.00 -1.10 0.00 -1.35 -0.00 0.58 -2.00 115.95 112.08 1j5n h TRP 59 Ca -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.87 1j5n h TRP 59 Cb 0.26 0.37 0.00 0.00 -0.00 0.00 0.00 29.16 29.79 1j5n h TRP 59 CO 0.00 -0.67 0.00 1.63 -0.00 0.00 0.00 178.44 179.40 1j5n n LYS 60 N -5.14 0.03 -0.02 2.65 5.02 -0.98 -3.16 118.16 116.56 1j5n n LYS 60 Ca -0.14 0.11 -0.15 0.00 -2.02 0.00 0.00 58.31 56.11 1j5n n LYS 60 Cb 0.46 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 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 2.80 0.44 -1.66 7.82 0.00 -0.33 -3.36 119.26 124.96 1j5n h ALA 61 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1j5n h ALA 61 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 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 -3.94 0.00 0.00 0.00 4.77 -0.80 -5.03 117.00 112.00 1j5n n LEU 62 Ca -0.06 0.72 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 1j5n n LEU 62 Cb 0.70 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1j5n n LEU 62 CO 0.51 -0.22 0.00 0.41 -1.33 0.00 0.00 177.39 176.76 1j5n n THR 63 N -1.35 0.00 -0.33 -5.08 -1.04 -1.26 -4.85 114.28 100.37 1j5n n THR 63 Ca 0.00 0.00 0.21 0.00 -2.04 0.00 0.00 64.05 62.22 1j5n n THR 63 Cb 0.00 0.00 0.40 0.00 -1.82 0.00 0.00 70.33 68.91 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 0.03 -0.14 -2.82 0.11 -1.93 0.59 132.00 127.84 1j5n h PRO 64 Ca 0.00 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.12 1j5n h PRO 64 Cb 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1j5n h PRO 64 CO 0.00 0.02 0.06 1.49 -0.21 0.00 0.00 178.00 179.36 1j5n h GLU 65 N 0.03 0.13 -0.10 1.05 4.57 -2.00 -0.34 114.58 117.91 1j5n h GLU 65 Ca 0.69 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.89 1j5n h GLU 65 Cb 1.60 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 30.15 1j5n h GLU 65 CO -0.84 0.08 0.13 0.93 -1.18 0.00 0.00 179.01 178.13 1j5n h GLU 66 N 0.13 0.00 0.00 1.92 4.39 -0.20 0.63 114.58 121.44 1j5n h GLU 66 Ca 0.06 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.60 1j5n h GLU 66 Cb 0.02 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1j5n h GLU 66 CO -0.05 0.00 -0.86 0.87 -1.16 0.00 0.00 179.01 177.81 1j5n h LYS 67 N 0.00 0.00 -0.57 2.33 1.57 0.05 -3.37 116.57 116.58 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 0.30 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.51 1j5n h LYS 67 CO -0.00 0.65 -0.16 1.04 -0.57 0.00 0.00 179.45 180.42 1j5n n GLN 68 N -3.22 -0.07 0.15 3.15 6.02 0.21 0.49 117.38 124.12 1j5n n GLN 68 Ca -0.01 0.88 -0.14 0.00 -0.01 0.00 0.00 57.00 57.71 1j5n n GLN 68 Cb 0.84 -1.31 -0.07 0.00 1.02 0.00 0.00 30.24 30.71 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 -0.63 0.00 -1.09 0.11 -1.76 -0.35 132.00 128.28 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 0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1j5n h PRO 69 CO -0.58 -0.42 -0.05 1.88 -0.21 0.00 0.00 178.00 178.61 1j5n h TYR 70 N -0.66 0.00 -0.96 0.65 0.05 -0.49 -1.78 116.97 113.79 1j5n h TYR 70 Ca 0.01 0.00 0.20 0.00 0.05 0.00 0.00 58.73 58.98 1j5n h TYR 70 Cb 0.65 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 38.21 1j5n h TYR 70 CO -0.29 0.00 -0.22 1.49 -1.05 0.00 0.00 178.16 178.08 1j5n h GLU 71 N -0.90 0.00 -0.79 4.88 4.22 -0.09 3.20 114.58 125.10 1j5n h GLU 71 Ca 0.00 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 1j5n h GLU 71 Cb 0.05 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1j5n h GLU 71 CO 0.00 0.00 0.48 0.00 -2.18 0.00 0.00 179.01 177.31 1j5n h ALA 72 N 1.96 1.01 0.00 2.92 0.00 -1.14 0.47 119.26 124.47 1j5n h ALA 72 Ca 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1j5n h ALA 72 Cb 0.73 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1j5n h ALA 72 CO -0.98 0.47 0.00 -0.22 0.00 0.00 0.00 179.25 178.52 1j5n h LYS 73 N 1.08 0.00 0.14 0.00 3.64 0.61 -0.62 116.57 121.42 1j5n h LYS 73 Ca 0.28 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.44 1j5n h LYS 73 Cb -0.04 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1j5n h LYS 73 CO -0.05 0.00 -0.96 0.00 -2.27 0.00 0.00 179.45 176.16 1j5n h ALA 74 N 2.04 -0.07 -0.06 5.00 0.00 0.67 -1.60 119.26 125.24 1j5n h ALA 74 Ca 0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 54.91 54.12 1j5n h ALA 74 Cb 0.07 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1j5n h ALA 74 CO 0.00 0.47 -0.30 1.96 0.00 0.00 0.00 179.25 181.38 1j5n h GLN 75 N -0.16 0.11 -0.20 0.00 4.20 -0.66 0.42 115.11 118.83 1j5n h GLN 75 Ca -0.16 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.49 1j5n h GLN 75 Cb 1.73 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.49 1j5n h GLN 75 CO 0.18 0.40 0.03 0.00 -0.67 0.00 0.00 178.83 178.78 1j5n h ALA 76 N 1.60 0.27 0.00 3.87 0.00 -1.13 -2.24 119.26 121.63 1j5n h ALA 76 Ca 0.01 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1j5n h ALA 76 Cb 0.58 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1j5n h ALA 76 CO 0.04 -0.05 -0.48 0.22 0.00 0.00 0.00 179.25 178.98 1j5n h ASP 77 N 0.13 0.00 -0.74 0.00 3.58 -0.97 -2.57 116.42 115.86 1j5n h ASP 77 Ca 0.06 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.53 1j5n h ASP 77 Cb 0.32 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.33 1j5n h ASP 77 CO 0.00 0.48 0.48 0.50 -2.88 0.00 0.00 179.24 177.82 1j5n h LYS 78 N 0.00 0.92 -0.23 0.28 3.64 0.12 -2.05 116.57 119.26 1j5n h LYS 78 Ca -0.00 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 1j5n h LYS 78 Cb 1.08 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1j5n h LYS 78 CO 0.06 0.61 -0.11 -0.22 -2.27 0.00 0.00 179.45 177.53 1j5n h LYS 79 N 0.95 0.47 -0.90 1.90 3.11 -1.30 0.11 116.57 120.91 1j5n h LYS 79 Ca 0.28 -0.21 0.10 0.00 -2.81 0.00 0.00 60.65 58.01 1j5n h LYS 79 Cb -0.05 -0.01 -0.12 0.00 -1.00 0.00 0.00 32.23 31.05 1j5n h LYS 79 CO -0.08 0.74 -0.48 -2.13 -2.81 0.00 0.00 179.45 174.69 1j5n n ARG 80 N -4.52 -0.34 0.16 1.90 3.00 -0.81 0.16 116.66 116.21 1j5n n ARG 80 Ca -0.04 1.37 0.04 0.00 -0.00 0.00 0.00 57.85 59.21 1j5n n ARG 80 Cb 0.33 -2.01 0.16 0.00 0.00 0.00 0.00 32.46 30.94 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 0.00 -0.14 5.03 -1.44 -3.05 116.97 117.37 1j5n h TYR 81 Ca 0.19 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.50 1j5n h TYR 81 Cb 0.42 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.70 1j5n h TYR 81 CO -0.89 0.44 0.28 1.49 -1.32 0.00 0.00 178.16 178.16 1j5n h GLU 82 N 0.00 0.00 0.01 1.82 4.81 0.43 0.25 114.58 121.89 1j5n h GLU 82 Ca -0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1j5n h GLU 82 Cb 1.18 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.57 1j5n h GLU 82 CO 0.06 0.00 -0.57 0.77 -0.73 0.00 0.00 179.01 178.53 1j5n h SER 83 N 0.00 0.49 1.05 1.04 0.02 -1.07 -1.56 113.55 113.53 1j5n h SER 83 Ca 0.00 -0.77 0.00 0.00 -0.84 0.00 0.00 61.79 60.18 1j5n h SER 83 Cb 0.56 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1j5n h SER 83 CO 0.00 1.20 0.00 1.05 -1.14 0.00 0.00 176.83 177.94 1j5n h GLU 84 N -0.16 0.00 0.04 3.45 4.11 -0.73 -2.22 114.58 119.06 1j5n h GLU 84 Ca -0.07 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.17 1j5n h GLU 84 Cb 1.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 1j5n h GLU 84 CO 0.11 0.00 -1.01 1.57 0.07 0.00 0.00 179.01 179.75 1j5n h LYS 85 N 0.00 0.07 -0.90 1.06 2.10 -1.25 0.28 116.57 117.94 1j5n h LYS 85 Ca 0.00 -0.13 0.14 0.00 -2.00 0.00 0.00 60.65 58.66 1j5n h LYS 85 Cb 0.52 0.05 -0.07 0.00 -0.90 0.00 0.00 32.23 31.83 1j5n h LYS 85 CO 0.00 1.06 0.58 1.05 -2.00 0.00 0.00 179.45 180.14 1j5n h GLU 86 N -0.78 0.70 0.21 0.07 4.11 -1.23 -0.91 114.58 116.75 1j5n h GLU 86 Ca -0.25 -0.04 -0.30 0.00 0.07 0.00 0.00 59.36 58.83 1j5n h GLU 86 Cb 1.37 -0.16 0.03 0.00 0.50 0.00 0.00 28.75 30.49 1j5n h GLU 86 CO -0.08 0.46 -1.36 1.25 0.07 0.00 0.00 179.01 179.35 1j5n h LEU 87 N 0.72 0.70 -0.87 3.06 6.46 -1.52 -1.59 115.31 122.27 1j5n h LEU 87 Ca 0.45 -0.93 0.35 0.00 -0.12 0.00 0.00 57.88 57.63 1j5n h LEU 87 Cb 0.68 -0.23 -0.16 0.00 -0.73 0.00 0.00 40.66 40.23 1j5n h LEU 87 CO -0.21 1.65 0.41 0.00 -0.62 0.00 0.00 178.44 179.67 1j5n n TYR 88 N -3.81 0.96 -0.04 1.25 9.36 0.09 0.20 117.16 125.17 1j5n n TYR 88 Ca -0.18 1.03 -0.10 0.00 3.32 0.00 0.00 57.90 61.97 1j5n n TYR 88 Cb 1.02 -1.40 -0.14 0.00 -0.63 0.00 0.00 39.34 38.19 1j5n n TYR 88 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1j5n n ASN 89 N -5.00 0.81 -0.02 2.98 0.23 -0.84 -1.45 115.26 111.97 1j5n n ASN 89 Ca 0.31 0.32 0.00 0.00 -0.53 0.00 0.00 54.58 54.68 1j5n n ASN 89 Cb 1.06 0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.84 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 -2.63 2.43 0.00 -2.53 0.00 0.55 -1.69 120.51 116.64 1j5n n ALA 90 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1j5n n ALA 90 Cb 1.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.48 0.00 0.09 0.00 5.66 0.24 -4.86 114.28 114.94 1j5n n THR 91 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 1j5n n THR 91 Cb 0.01 -0.12 -0.02 0.00 -1.55 0.00 0.00 70.33 68.65 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 0.00 0.00 1.09 8.10 -1.34 -3.51 115.31 119.65 1j5n h LEU 92 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1j5n h LEU 92 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1j5n h LEU 92 CO 0.00 0.85 0.00 0.00 -4.11 0.00 0.00 178.44 175.18