#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 0.00 -1.43 2.03 0.24 -1.26 -4.62 118.33 113.29 1j5n n VAL 2 Ca 0.00 0.00 -0.49 0.00 -2.04 0.00 0.00 64.34 61.81 1j5n n VAL 2 Cb 0.00 -0.42 -0.09 0.00 -1.47 0.00 0.00 33.84 31.87 1j5n n VAL 2 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1j5n n THR 3 N -4.08 0.10 0.00 3.34 5.66 -1.26 -4.91 114.28 113.12 1j5n n THR 3 Ca 0.06 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1j5n n THR 3 Cb 0.25 -1.42 0.00 0.00 -1.55 0.00 0.00 70.33 67.61 1j5n n THR 3 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1j5n n PRO 4 N 8.23 1.43 -0.39 1.09 -0.02 -1.26 -4.96 135.00 139.12 1j5n n PRO 4 Ca 0.47 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 62.00 1j5n n PRO 4 Cb 0.19 0.00 0.08 0.00 -0.02 0.00 0.00 33.50 33.75 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 -0.20 0.67 -0.02 -0.52 3.00 -1.26 -4.84 116.66 113.49 1j5n n ARG 5 Ca 0.00 -1.92 -0.05 0.00 -0.01 0.00 0.00 57.85 55.86 1j5n n ARG 5 Cb 0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 32.46 31.44 1j5n n ARG 5 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1j5n h GLU 6 N 0.14 -0.07 -6.54 5.56 5.08 -2.01 -3.46 114.58 113.28 1j5n h GLU 6 Ca -0.02 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.75 1j5n h GLU 6 Cb 1.23 0.02 0.10 0.00 0.50 0.00 0.00 28.75 30.60 1j5n h GLU 6 CO 0.01 0.23 0.35 -2.30 -1.00 0.00 0.00 179.01 176.29 1j5n n PRO 7 N -4.79 1.65 -1.39 2.33 -0.02 -1.26 -4.69 135.00 126.83 1j5n n PRO 7 Ca -0.04 0.58 -0.49 0.00 -2.02 0.00 0.00 63.50 61.53 1j5n n PRO 7 Cb 0.16 -2.09 -0.13 0.00 -0.02 0.00 0.00 33.50 31.42 1j5n n PRO 7 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1j5n n LYS 8 N 1.16 0.07 -0.01 -0.52 5.02 -1.26 -4.82 118.16 117.81 1j5n n LYS 8 Ca 0.10 0.01 -0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1j5n n LYS 8 Cb 0.32 -1.59 -0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1j5n n LYS 8 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1j5n h LYS 9 N 10.95 0.00 -2.21 1.97 3.11 -1.88 -3.48 116.57 125.03 1j5n h LYS 9 Ca -0.09 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.56 1j5n h LYS 9 Cb 1.36 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 32.61 1j5n h LYS 9 CO 1.24 0.00 -0.28 -2.13 -2.81 0.00 0.00 179.45 175.47 1j5n n ARG 10 N -2.40 -2.07 0.00 1.90 0.63 -1.26 -4.95 116.66 108.50 1j5n n ARG 10 Ca -0.00 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 1j5n n ARG 10 Cb 0.01 -4.32 0.00 0.00 0.45 0.00 0.00 32.46 28.60 1j5n n ARG 10 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1j5n n THR 11 N -3.86 0.00 -4.01 5.15 -1.04 -1.26 -4.73 114.28 104.53 1j5n n THR 11 Ca -0.06 0.70 -0.33 0.00 -2.04 0.00 0.00 64.05 62.32 1j5n n THR 11 Cb 0.56 -1.03 -0.03 0.00 -1.82 0.00 0.00 70.33 68.02 1j5n n THR 11 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1j5n n THR 12 N -1.08 -1.52 -0.76 12.58 -2.24 -1.26 -4.71 114.28 115.29 1j5n n THR 12 Ca 0.00 -0.45 -0.24 0.00 -2.27 0.00 0.00 64.05 61.09 1j5n n THR 12 Cb 0.00 -1.35 0.01 0.00 -2.10 0.00 0.00 70.33 66.89 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 -4.16 0.00 -0.00 -0.78 1.85 -1.26 -4.91 116.66 107.40 1j5n n ARG 13 Ca -0.17 0.00 0.01 0.00 -1.00 0.00 0.00 57.85 56.69 1j5n n ARG 13 Cb 0.51 -0.64 -0.01 0.00 -1.05 0.00 0.00 32.46 31.27 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 1.11 0.15 0.00 2.89 4.76 -1.26 -5.14 118.16 120.67 1j5n n LYS 14 Ca 0.04 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1j5n n LYS 14 Cb 0.31 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.47 1j5n n LYS 14 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1j5n n LYS 15 N -1.55 0.00 0.00 1.97 3.00 -1.26 -5.12 118.16 115.20 1j5n n LYS 15 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1j5n n LYS 15 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.08 1j5n n LYS 15 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1j5n n LYS 16 N -0.97 0.00 0.00 1.64 2.85 -1.26 -5.18 118.16 115.24 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 -0.25 -0.05 0.00 0.00 177.40 177.10 1j5n n ASP 17 N 0.00 0.00 0.37 -5.58 8.00 -1.26 -4.21 116.55 113.86 1j5n n ASP 17 Ca 0.00 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.32 1j5n n ASP 17 Cb 0.00 0.53 -0.09 0.00 -0.02 0.00 0.00 41.12 41.53 1j5n n ASP 17 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1j5n h PRO 18 N 0.00 -0.96 0.00 -0.24 0.13 -1.99 -3.32 132.00 125.62 1j5n h PRO 18 Ca 0.00 0.07 -0.28 0.00 -0.87 0.00 0.00 66.00 64.92 1j5n h PRO 18 Cb 0.00 0.22 -0.05 0.00 0.13 0.00 0.00 31.00 31.30 1j5n h PRO 18 CO 0.00 -0.64 -2.28 0.09 -0.23 0.00 0.00 178.00 174.94 1j5n n ASN 19 N -5.54 0.10 -3.08 1.44 4.13 -1.26 -5.05 115.26 106.00 1j5n n ASN 19 Ca -0.13 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 55.92 1j5n n ASN 19 Cb 0.42 1.22 0.02 0.00 -1.54 0.00 0.00 39.78 39.90 1j5n n ASN 19 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1j5n n ALA 20 N -2.62 -2.03 -0.02 5.41 0.00 -1.25 -4.84 120.51 115.16 1j5n n ALA 20 Ca -0.26 0.17 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 1j5n n ALA 20 Cb 1.01 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 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 2.43 -0.23 -1.57 0.00 0.11 -1.90 -3.48 132.00 127.37 1j5n h PRO 21 Ca -0.30 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1j5n h PRO 21 Cb 1.10 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1j5n h PRO 21 CO 0.12 -0.15 0.00 1.63 -0.21 0.00 0.00 178.00 179.39 1j5n n LYS 22 N -5.34 0.00 0.00 1.05 5.02 -1.26 -4.97 118.16 112.65 1j5n n LYS 22 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1j5n n LYS 22 Cb 0.26 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 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 -0.78 0.00 -4.50 1.97 1.85 -1.26 -4.82 116.66 109.11 1j5n n ARG 23 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.61 1j5n n ARG 23 Cb 0.28 0.00 -0.10 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 -0.56 2.66 1.00 2.89 0.00 -1.26 -4.71 121.76 121.78 1j5n s ALA 24 Ca 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.07 1j5n s ALA 24 Cb 0.00 0.57 0.00 0.00 0.00 0.00 0.00 23.12 23.69 1j5n s ALA 24 CO 0.00 -0.27 0.00 1.28 0.00 0.00 0.00 175.76 176.77 1j5n n LEU 25 N -0.79 0.00 -4.22 0.00 4.32 -1.26 -4.98 117.00 110.07 1j5n n LEU 25 Ca -0.04 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.82 1j5n n LEU 25 Cb 0.66 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.36 1j5n n LEU 25 CO 0.42 -1.26 -0.37 -0.55 -1.22 0.00 0.00 177.39 174.42 1j5n s SER 26 N -1.90 1.33 0.50 -1.43 0.15 -1.26 -4.84 113.70 106.25 1j5n s SER 26 Ca 0.00 -1.07 0.27 0.00 0.70 0.00 0.00 55.95 55.84 1j5n s SER 26 Cb 0.00 0.08 1.46 0.00 -1.71 0.00 0.00 66.02 65.85 1j5n s SER 26 CO 0.00 -0.47 1.80 0.00 1.20 0.00 0.00 173.24 175.76 1j5n h ALA 27 N 2.81 1.15 0.11 5.45 0.00 -1.87 0.15 119.26 127.07 1j5n h ALA 27 Ca -0.36 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.28 1j5n h ALA 27 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1j5n h ALA 27 CO 0.64 -0.15 -1.24 -0.92 0.00 0.00 0.00 179.25 177.58 1j5n h TYR 28 N 0.00 0.44 -0.08 0.00 5.03 -1.94 -2.20 116.97 118.22 1j5n h TYR 28 Ca 0.00 -0.32 -0.19 0.00 2.58 0.00 0.00 58.73 60.80 1j5n h TYR 28 Cb 0.36 -0.02 0.01 0.00 1.55 0.00 0.00 36.73 38.63 1j5n h TYR 28 CO 0.00 1.26 -0.69 0.52 -1.32 0.00 0.00 178.16 177.93 1j5n h MET 29 N 0.07 0.61 0.08 1.82 0.00 -1.10 0.22 114.93 116.61 1j5n h MET 29 Ca -0.13 -0.55 -0.00 0.00 0.00 0.00 0.00 59.70 59.02 1j5n h MET 29 Cb 1.95 0.13 0.00 0.00 0.00 0.00 0.00 31.60 33.69 1j5n h MET 29 CO 0.19 1.17 -0.04 0.74 0.00 0.00 0.00 176.91 178.97 1j5n h PHE 30 N 0.24 -0.09 0.56 -0.22 0.04 -1.57 0.40 116.94 116.29 1j5n h PHE 30 Ca -0.06 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 1j5n h PHE 30 Cb 1.35 0.03 0.01 0.00 2.20 0.00 0.00 35.95 39.53 1j5n h PHE 30 CO 0.11 0.32 -0.27 0.35 -0.60 0.00 0.00 178.31 178.22 1j5n h PHE 31 N -0.54 -0.70 -1.05 -0.55 3.57 -1.49 -2.27 116.94 113.91 1j5n h PHE 31 Ca -0.01 -0.02 0.30 0.00 3.53 0.00 0.00 57.97 61.77 1j5n h PHE 31 Cb 0.46 0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.38 1j5n h PHE 31 CO 0.07 -0.43 0.74 0.00 -2.23 0.00 0.00 178.31 176.45 1j5n h ALA 32 N -1.63 2.86 -0.56 2.41 0.00 -0.67 0.42 119.26 122.10 1j5n h ALA 32 Ca -0.08 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1j5n h ALA 32 Cb 0.58 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1j5n h ALA 32 CO 0.13 -1.17 0.26 -0.91 0.00 0.00 0.00 179.25 177.55 1j5n h ASN 33 N 0.07 0.34 0.28 0.00 2.35 0.38 0.69 115.58 119.69 1j5n h ASN 33 Ca 0.51 0.04 -0.22 0.00 -0.55 0.00 0.00 56.30 56.09 1j5n h ASN 33 Cb 1.91 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 40.27 1j5n h ASN 33 CO -0.05 0.23 -0.91 -0.33 -1.65 0.00 0.00 177.43 174.71 1j5n h GLU 34 N 0.49 0.44 0.00 0.81 4.39 0.17 -3.34 114.58 117.54 1j5n h GLU 34 Ca 0.26 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1j5n h GLU 34 Cb 0.22 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1j5n h GLU 34 CO -0.21 1.10 0.00 0.09 -1.16 0.00 0.00 179.01 178.84 1j5n n ASN 35 N -3.77 0.00 -0.01 1.42 5.03 -0.45 -2.28 115.26 115.21 1j5n n ASN 35 Ca -0.07 0.52 -0.00 0.00 0.87 0.00 0.00 54.58 55.91 1j5n n ASN 35 Cb 0.81 -0.40 0.00 0.00 -1.02 0.00 0.00 39.78 39.17 1j5n n ASN 35 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1j5n n ARG 36 N -1.71 -0.00 0.06 3.52 1.74 0.23 0.39 116.66 120.89 1j5n n ARG 36 Ca 0.00 0.03 -0.13 0.00 -0.77 0.00 0.00 57.85 56.98 1j5n n ARG 36 Cb 0.00 -0.05 -0.09 0.00 -1.02 0.00 0.00 32.46 31.30 1j5n n ARG 36 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1j5n h ASP 37 N 0.00 -0.14 0.00 0.55 5.19 -1.69 -1.41 116.42 118.91 1j5n h ASP 37 Ca 0.01 -0.29 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 1j5n h ASP 37 Cb 0.01 0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.56 1j5n h ASP 37 CO -0.02 0.23 0.00 -0.38 -3.12 0.00 0.00 179.24 175.95 1j5n n ILE 38 N -5.00 0.00 -0.32 0.35 -0.00 1.25 0.29 119.36 115.93 1j5n n ILE 38 Ca -0.09 1.42 -0.08 0.00 -0.00 0.00 0.00 62.75 64.00 1j5n n ILE 38 Cb 0.22 -2.40 -0.08 0.00 -0.00 0.00 0.00 39.64 37.39 1j5n n ILE 38 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 1j5n n VAL 39 N -1.80 -0.52 0.26 1.39 0.31 0.16 0.62 118.33 118.74 1j5n n VAL 39 Ca 0.00 2.20 0.09 0.00 -0.01 0.00 0.00 64.34 66.62 1j5n n VAL 39 Cb 0.00 -2.75 0.66 0.00 -0.91 0.00 0.00 33.84 30.84 1j5n n VAL 39 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1j5n h ARG 40 N 0.00 0.00 0.00 5.55 -0.00 -1.32 0.50 114.38 119.11 1j5n h ARG 40 Ca 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 60.07 1j5n h ARG 40 Cb 0.31 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.28 1j5n h ARG 40 CO -0.72 0.04 -0.16 1.03 -0.00 0.00 0.00 179.97 180.16 1j5n h SER 41 N 0.00 0.00 0.00 0.08 0.87 0.48 0.64 113.55 115.61 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 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1j5n h SER 41 CO 0.01 0.16 -1.25 -0.62 -0.53 0.00 0.00 176.83 174.59 1j5n n GLU 42 N -3.58 0.46 -3.18 2.24 1.02 -0.13 -4.60 120.64 112.87 1j5n n GLU 42 Ca -0.01 -0.06 -0.18 0.00 -0.02 0.00 0.00 57.16 56.89 1j5n n GLU 42 Cb 0.29 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 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 -1.70 0.71 0.00 1.62 3.02 -0.02 -4.93 115.26 113.96 1j5n n ASN 43 Ca 0.01 -3.00 0.07 0.00 -0.03 0.00 0.00 54.58 51.64 1j5n n ASN 43 Cb 0.38 -0.57 0.41 0.00 -0.61 0.00 0.00 39.78 39.39 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 0.37 0.38 -0.11 3.52 -0.02 0.16 -3.28 135.00 136.01 1j5n n PRO 44 Ca 0.24 0.04 -0.23 0.00 -2.02 0.00 0.00 63.50 61.54 1j5n n PRO 44 Cb 0.65 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.55 1j5n n PRO 44 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1j5n n ASP 45 N -1.08 1.76 -0.26 2.55 2.03 -1.26 -4.58 116.55 115.71 1j5n n ASP 45 Ca 0.10 0.20 0.17 0.00 0.52 0.00 0.00 54.79 55.77 1j5n n ASP 45 Cb 0.07 -0.60 0.32 0.00 -0.72 0.00 0.00 41.12 40.18 1j5n n ASP 45 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1j5n n ILE 46 N -3.84 -0.33 0.00 5.18 -5.35 -1.21 -4.88 119.36 108.95 1j5n n ILE 46 Ca -0.44 1.65 0.00 0.00 -0.27 0.00 0.00 62.75 63.70 1j5n n ILE 46 Cb 0.84 -2.51 0.00 0.00 -1.74 0.00 0.00 39.64 36.22 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 -4.96 0.00 0.00 7.28 -1.04 -1.26 -4.59 114.28 109.71 1j5n n THR 47 Ca 0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1j5n n THR 47 Cb 0.75 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.26 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 1.98 0.00 -0.22 -1.42 7.35 -1.26 -1.06 117.46 122.83 1j5n n PHE 48 Ca 0.00 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.86 1j5n n PHE 48 Cb 0.00 0.00 0.28 0.00 0.35 0.00 0.00 39.48 40.11 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 -0.31 -0.34 0.16 7.13 0.00 -1.26 0.24 105.19 110.82 1j5n n GLY 49 Ca 0.00 0.28 -0.10 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.30 0.02 1.61 1.08 -1.35 -2.26 115.11 113.92 1j5n h GLN 50 Ca 0.34 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.56 1j5n h GLN 50 Cb 1.22 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1j5n h GLN 50 CO -0.11 0.04 -0.01 -0.24 -0.95 0.00 0.00 178.83 177.55 1j5n h VAL 51 N -0.95 1.22 0.60 -0.54 3.04 0.42 -0.05 116.25 119.98 1j5n h VAL 51 Ca -0.03 -0.76 -0.02 0.00 -1.01 0.00 0.00 66.70 64.88 1j5n h VAL 51 Cb 0.47 1.73 -0.02 0.00 -2.01 0.00 0.00 31.29 31.47 1j5n h VAL 51 CO 0.05 0.19 -0.50 1.23 -1.01 0.00 0.00 177.57 177.54 1j5n h GLY 52 N -0.36 -1.28 1.68 3.17 0.00 -0.64 0.48 103.07 106.12 1j5n h GLY 52 Ca -0.00 0.57 -0.01 0.00 0.00 0.00 0.00 47.33 47.89 1j5n h GLY 52 CO 0.01 -0.40 0.16 0.50 0.00 0.00 0.00 176.54 176.80 1j5n h LYS 53 N -1.07 0.42 0.00 4.80 1.57 -1.50 0.72 116.57 121.52 1j5n h LYS 53 Ca -0.08 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1j5n h LYS 53 Cb 0.90 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 1j5n h LYS 53 CO -0.01 0.33 -0.14 0.87 -0.57 0.00 0.00 179.45 179.92 1j5n h LYS 54 N 0.43 0.00 -0.10 3.15 1.79 -0.51 -2.54 116.57 118.80 1j5n h LYS 54 Ca 0.11 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.39 1j5n h LYS 54 Cb 0.04 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1j5n h LYS 54 CO -0.02 0.14 -0.69 -0.07 -1.08 0.00 0.00 179.45 177.74 1j5n h LEU 55 N 0.00 0.77 0.21 2.94 3.38 0.24 -1.00 115.31 121.85 1j5n h LEU 55 Ca -0.00 -0.66 -0.01 0.00 0.09 0.00 0.00 57.88 57.30 1j5n h LEU 55 Cb 0.67 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1j5n h LEU 55 CO 0.02 1.32 -0.10 1.23 0.09 0.00 0.00 178.44 181.00 1j5n h GLY 56 N 0.29 -0.29 1.00 0.83 0.00 -1.24 0.35 103.07 104.01 1j5n h GLY 56 Ca -0.06 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 1j5n h GLY 56 CO 0.14 -0.10 -0.23 1.05 0.00 0.00 0.00 176.54 177.40 1j5n h GLU 57 N -0.50 -0.62 -0.07 4.80 4.11 -1.55 -2.16 114.58 118.59 1j5n h GLU 57 Ca -0.03 0.04 0.02 0.00 0.07 0.00 0.00 59.36 59.46 1j5n h GLU 57 Cb 0.38 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1j5n h GLU 57 CO 0.05 -0.41 0.05 0.87 0.07 0.00 0.00 179.01 179.64 1j5n h LYS 58 N -0.65 0.00 0.74 1.06 1.79 -1.22 0.27 116.57 118.56 1j5n h LYS 58 Ca -0.07 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 1j5n h LYS 58 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1j5n h LYS 58 CO 0.11 0.00 -0.40 2.35 -1.08 0.00 0.00 179.45 180.42 1j5n h TRP 59 N 0.00 -1.06 -0.00 -1.35 -0.00 0.34 -2.00 115.95 111.88 1j5n h TRP 59 Ca 0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.91 1j5n h TRP 59 Cb 0.14 0.37 0.00 0.00 -0.00 0.00 0.00 29.16 29.66 1j5n h TRP 59 CO 0.00 -0.63 -0.02 1.63 -0.00 0.00 0.00 178.44 179.42 1j5n n LYS 60 N -5.56 0.79 0.11 2.65 5.02 -0.97 -3.49 118.16 116.72 1j5n n LYS 60 Ca -0.14 -0.10 -0.18 0.00 -2.02 0.00 0.00 58.31 55.86 1j5n n LYS 60 Cb 0.44 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.80 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 3.76 0.03 -1.65 7.82 0.00 0.17 -3.39 119.26 126.00 1j5n h ALA 61 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1j5n h ALA 61 Cb 0.19 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1j5n h ALA 61 CO 0.00 0.91 0.00 1.28 0.00 0.00 0.00 179.25 181.44 1j5n n LEU 62 N -3.58 0.00 0.00 0.00 4.77 -0.81 -5.03 117.00 112.34 1j5n n LEU 62 Ca -0.11 0.72 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1j5n n LEU 62 Cb 1.05 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 1j5n n LEU 62 CO 0.56 -0.22 0.00 0.41 -1.33 0.00 0.00 177.39 176.80 1j5n n THR 63 N -1.28 0.00 -0.33 -5.08 -1.04 -1.26 -4.86 114.28 100.43 1j5n n THR 63 Ca 0.00 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.17 1j5n n THR 63 Cb 0.00 0.00 0.32 0.00 -1.82 0.00 0.00 70.33 68.83 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 0.04 -0.23 -2.82 0.11 -1.93 0.55 132.00 127.71 1j5n h PRO 64 Ca 0.00 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.13 1j5n h PRO 64 Cb 0.00 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.07 1j5n h PRO 64 CO 0.00 0.03 0.07 1.49 -0.21 0.00 0.00 178.00 179.38 1j5n h GLU 65 N 0.04 0.17 -0.11 1.05 4.57 -2.00 0.50 114.58 118.80 1j5n h GLU 65 Ca 0.61 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.81 1j5n h GLU 65 Cb 1.30 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1j5n h GLU 65 CO -0.85 0.11 0.13 0.93 -1.18 0.00 0.00 179.01 178.15 1j5n h GLU 66 N 0.18 0.00 0.00 1.92 4.39 -0.29 0.62 114.58 121.39 1j5n h GLU 66 Ca 0.10 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.63 1j5n h GLU 66 Cb 0.08 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1j5n h GLU 66 CO -0.11 0.00 -0.89 0.87 -1.16 0.00 0.00 179.01 177.71 1j5n h LYS 67 N 0.00 0.00 -0.58 2.33 1.57 0.28 -3.37 116.57 116.80 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 0.31 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.51 1j5n h LYS 67 CO -0.00 0.74 -0.15 1.04 -0.57 0.00 0.00 179.45 180.51 1j5n n GLN 68 N -3.26 -0.06 0.16 3.15 6.02 0.21 0.54 117.38 124.14 1j5n n GLN 68 Ca -0.01 0.91 -0.14 0.00 -0.01 0.00 0.00 57.00 57.74 1j5n n GLN 68 Cb 0.87 -1.35 -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 -0.61 0.00 -1.09 0.11 -1.75 -0.39 132.00 128.27 1j5n h PRO 69 Ca 0.27 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1j5n h PRO 69 Cb 0.42 0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1j5n h PRO 69 CO -0.60 -0.41 -0.05 1.88 -0.21 0.00 0.00 178.00 178.62 1j5n h TYR 70 N -0.63 0.00 -0.95 0.65 0.05 -0.45 -1.71 116.97 113.92 1j5n h TYR 70 Ca 0.01 0.00 0.20 0.00 0.05 0.00 0.00 58.73 58.99 1j5n h TYR 70 Cb 0.62 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 38.18 1j5n h TYR 70 CO -0.26 0.00 -0.20 1.49 -1.05 0.00 0.00 178.16 178.14 1j5n h GLU 71 N -0.89 0.00 -0.80 4.88 4.81 -0.04 3.20 114.58 125.74 1j5n h GLU 71 Ca 0.00 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1j5n h GLU 71 Cb 0.05 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 1j5n h GLU 71 CO 0.00 0.00 0.46 0.00 -0.73 0.00 0.00 179.01 178.74 1j5n h ALA 72 N 1.95 1.02 0.00 2.92 0.00 -1.15 0.47 119.26 124.47 1j5n h ALA 72 Ca 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1j5n h ALA 72 Cb 0.76 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1j5n h ALA 72 CO -0.97 0.51 0.00 -0.22 0.00 0.00 0.00 179.25 178.57 1j5n h LYS 73 N 1.10 0.00 0.02 0.00 3.64 0.61 -0.99 116.57 120.96 1j5n h LYS 73 Ca 0.28 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.56 1j5n h LYS 73 Cb -0.01 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1j5n h LYS 73 CO -0.05 0.00 -0.42 0.00 -2.27 0.00 0.00 179.45 176.71 1j5n h ALA 74 N 2.03 0.02 -0.38 5.00 0.00 0.67 -0.87 119.26 125.72 1j5n h ALA 74 Ca 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1j5n h ALA 74 Cb 0.05 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1j5n h ALA 74 CO 0.00 0.20 0.18 1.96 0.00 0.00 0.00 179.25 181.59 1j5n h GLN 75 N -0.42 0.53 -0.49 0.00 4.20 -0.71 0.28 115.11 118.50 1j5n h GLN 75 Ca -0.06 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.51 1j5n h GLN 75 Cb 1.20 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.86 1j5n h GLN 75 CO 0.08 0.41 -0.02 0.00 -0.67 0.00 0.00 178.83 178.63 1j5n h ALA 76 N 1.67 0.66 0.00 3.87 0.00 -1.17 -2.49 119.26 121.80 1j5n h ALA 76 Ca 0.14 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1j5n h ALA 76 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1j5n h ALA 76 CO -0.02 0.48 -0.46 0.22 0.00 0.00 0.00 179.25 179.48 1j5n h ASP 77 N 0.73 0.00 -0.07 0.00 1.82 -0.27 -1.78 116.42 116.85 1j5n h ASP 77 Ca 0.14 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.77 1j5n h ASP 77 Cb 0.54 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.55 1j5n h ASP 77 CO 0.03 0.46 0.03 0.11 -1.61 0.00 0.00 179.24 178.25 1j5n h LYS 78 N 0.00 0.10 -0.51 0.28 1.57 -0.17 -2.35 116.57 115.49 1j5n h LYS 78 Ca -0.00 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1j5n h LYS 78 Cb 1.07 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 1j5n h LYS 78 CO 0.06 0.22 -0.06 -0.22 -0.57 0.00 0.00 179.45 178.88 1j5n h LYS 79 N -0.04 0.90 -0.72 3.15 3.64 -1.43 -0.78 116.57 121.29 1j5n h LYS 79 Ca 0.02 -0.29 0.10 0.00 -1.27 0.00 0.00 60.65 59.21 1j5n h LYS 79 Cb 0.16 -0.08 -0.12 0.00 -0.41 0.00 0.00 32.23 31.78 1j5n h LYS 79 CO -0.00 0.94 -0.44 -0.09 -2.27 0.00 0.00 179.45 177.58 1j5n h ARG 80 N 0.82 -0.14 0.00 1.90 9.65 -0.93 0.38 114.38 126.05 1j5n h ARG 80 Ca 0.14 0.01 -0.14 0.00 -1.10 0.00 0.00 59.98 58.89 1j5n h ARG 80 Cb 0.58 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.17 1j5n h ARG 80 CO 0.03 -0.10 -0.67 -0.92 2.80 0.00 0.00 179.97 181.12 1j5n h TYR 81 N -0.15 0.00 -0.79 2.20 5.03 -1.32 -3.01 116.97 118.93 1j5n h TYR 81 Ca 0.21 0.00 0.23 0.00 2.58 0.00 0.00 58.73 61.75 1j5n h TYR 81 Cb 0.55 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.80 1j5n h TYR 81 CO -0.78 0.67 0.63 1.49 -1.32 0.00 0.00 178.16 178.84 1j5n h GLU 82 N 0.00 0.00 -0.05 1.82 4.81 0.12 0.78 114.58 122.07 1j5n h GLU 82 Ca -0.01 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.00 1j5n h GLU 82 Cb 1.19 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.58 1j5n h GLU 82 CO 0.09 0.00 -0.88 1.03 -0.73 0.00 0.00 179.01 178.51 1j5n h SER 83 N 0.00 0.69 0.18 1.04 0.87 -1.15 -1.81 113.55 113.37 1j5n h SER 83 Ca 0.37 -0.51 -0.07 0.00 -1.23 0.00 0.00 61.79 60.36 1j5n h SER 83 Cb 1.63 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.37 1j5n h SER 83 CO -0.00 1.29 -0.26 -0.08 -0.53 0.00 0.00 176.83 177.25 1j5n h GLU 84 N 0.34 0.14 0.04 2.24 4.57 0.41 -1.91 114.58 120.42 1j5n h GLU 84 Ca -0.07 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 57.96 1j5n h GLU 84 Cb 1.51 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 30.09 1j5n h GLU 84 CO 0.16 0.40 -0.42 1.57 -1.18 0.00 0.00 179.01 179.54 1j5n h LYS 85 N 0.13 0.21 -0.87 1.92 2.10 -1.12 0.40 116.57 119.34 1j5n h LYS 85 Ca 0.02 -0.28 0.19 0.00 -2.00 0.00 0.00 60.65 58.57 1j5n h LYS 85 Cb 0.53 0.09 -0.06 0.00 -0.90 0.00 0.00 32.23 31.89 1j5n h LYS 85 CO 0.04 1.06 0.58 1.05 -2.00 0.00 0.00 179.45 180.17 1j5n h GLU 86 N -0.50 0.42 0.00 0.07 4.11 -1.21 0.51 114.58 117.98 1j5n h GLU 86 Ca -0.06 -0.03 -0.19 0.00 0.07 0.00 0.00 59.36 59.15 1j5n h GLU 86 Cb 1.24 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 1j5n h GLU 86 CO 0.08 0.28 -1.18 1.25 0.07 0.00 0.00 179.01 179.51 1j5n h LEU 87 N 0.43 0.00 -1.00 3.06 6.46 -1.35 -1.92 115.31 121.00 1j5n h LEU 87 Ca 0.45 0.00 0.25 0.00 -0.12 0.00 0.00 57.88 58.46 1j5n h LEU 87 Cb 1.06 0.00 -0.13 0.00 -0.73 0.00 0.00 40.66 40.87 1j5n h LEU 87 CO -0.17 0.72 0.58 0.22 -0.62 0.00 0.00 178.44 179.17 1j5n h TYR 88 N 0.00 0.99 0.02 1.25 3.20 0.45 0.74 116.97 123.62 1j5n h TYR 88 Ca -0.12 0.04 -0.33 0.00 3.14 0.00 0.00 58.73 61.46 1j5n h TYR 88 Cb 1.66 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 39.59 1j5n h TYR 88 CO 0.00 0.04 -1.97 0.09 -1.64 0.00 0.00 178.16 174.68 1j5n n ASN 89 N -4.91 0.87 0.00 -2.11 3.02 -0.80 -1.67 115.26 109.67 1j5n n ASN 89 Ca 0.27 0.25 0.05 0.00 -0.03 0.00 0.00 54.58 55.12 1j5n n ASN 89 Cb 0.76 0.09 0.33 0.00 -0.61 0.00 0.00 39.78 40.34 1j5n n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j5n n ALA 90 N -2.70 2.40 0.00 5.41 0.00 -0.09 -1.91 120.51 123.62 1j5n n ALA 90 Ca -0.25 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1j5n n ALA 90 Cb 1.08 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.71 0.00 0.06 0.00 5.66 0.24 -4.83 114.28 114.70 1j5n n THR 91 Ca 0.08 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.02 1j5n n THR 91 Cb 0.04 -0.28 0.12 0.00 -1.55 0.00 0.00 70.33 68.66 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 0.39 -1.87 1.09 8.10 -1.41 -3.51 115.31 118.11 1j5n h LEU 92 Ca 0.00 -0.20 0.00 0.00 0.11 0.00 0.00 57.88 57.79 1j5n h LEU 92 Cb 0.22 -0.11 0.00 0.00 -0.44 0.00 0.00 40.66 40.32 1j5n h LEU 92 CO 0.00 0.85 0.00 0.00 -4.11 0.00 0.00 178.44 175.18