#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5n s VAL 2 N 0.00 3.68 -0.31 2.03 1.01 -1.26 -4.67 120.40 120.88 1j5n s VAL 2 Ca 0.00 -0.93 0.16 0.00 0.00 0.00 0.00 61.98 61.21 1j5n s VAL 2 Cb 0.00 -4.60 0.47 0.00 0.00 0.00 0.00 36.38 32.25 1j5n s VAL 2 CO 0.00 -1.31 1.07 1.07 0.00 0.00 0.00 175.10 175.93 1j5n n THR 3 N 7.43 1.54 -0.06 3.92 5.66 -1.26 -4.88 114.28 126.63 1j5n n THR 3 Ca 0.43 -3.49 -0.10 0.00 -3.05 0.00 0.00 64.05 57.84 1j5n n THR 3 Cb 0.47 0.30 0.04 0.00 -1.55 0.00 0.00 70.33 69.59 1j5n n THR 3 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1j5n h PRO 4 N 2.67 0.75 0.00 1.09 0.13 -2.08 -3.49 132.00 131.07 1j5n h PRO 4 Ca 0.02 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1j5n h PRO 4 Cb 1.23 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1j5n h PRO 4 CO 0.49 1.01 0.00 -2.13 -0.23 0.00 0.00 178.00 177.14 1j5n n ARG 5 N -4.04 -1.44 -2.16 0.86 0.63 -1.26 -5.15 116.66 104.10 1j5n n ARG 5 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1j5n n ARG 5 Cb 0.54 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.45 1j5n n ARG 5 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1j5n n GLU 6 N 0.00 -4.74 0.02 -0.14 4.71 -1.26 -4.79 120.64 114.43 1j5n n GLU 6 Ca 0.00 3.48 0.07 0.00 -0.01 0.00 0.00 57.16 60.70 1j5n n GLU 6 Cb 0.00 -4.23 0.32 0.00 -1.01 0.00 0.00 31.44 26.52 1j5n n GLU 6 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1j5n n PRO 7 N 1.66 0.03 -0.49 3.49 -0.04 -1.26 -4.99 135.00 133.40 1j5n n PRO 7 Ca 0.00 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1j5n n PRO 7 Cb 0.00 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 1j5n n PRO 7 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1j5n n LYS 8 N -1.60 -1.28 -4.16 0.54 3.00 -1.26 -5.09 118.16 108.31 1j5n n LYS 8 Ca 0.03 1.00 -0.21 0.00 -0.00 0.00 0.00 58.31 59.13 1j5n n LYS 8 Cb 0.17 -1.24 -0.07 0.00 0.00 0.00 0.00 35.03 33.89 1j5n n LYS 8 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1j5n n LYS 9 N -1.80 0.48 0.00 1.64 5.02 -1.26 -5.10 118.16 117.13 1j5n n LYS 9 Ca 0.00 -3.17 0.00 0.00 -2.02 0.00 0.00 58.31 53.12 1j5n n LYS 9 Cb 0.14 2.20 0.00 0.00 -0.02 0.00 0.00 35.03 37.35 1j5n n LYS 9 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1j5n n ARG 10 N -0.71 0.00 0.00 1.97 1.74 -1.26 -4.84 116.66 113.56 1j5n n ARG 10 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1j5n n ARG 10 Cb 0.57 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.01 1j5n n ARG 10 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1j5n n THR 11 N 0.00 0.00 -2.92 0.55 -1.04 -1.26 -4.84 114.28 104.77 1j5n n THR 11 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1j5n n THR 11 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 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 0.00 -6.15 -1.10 12.58 -2.24 -1.26 -4.56 114.28 111.54 1j5n n THR 12 Ca 0.00 1.15 -0.43 0.00 -2.27 0.00 0.00 64.05 62.50 1j5n n THR 12 Cb 0.00 -4.39 -0.07 0.00 -2.10 0.00 0.00 70.33 63.78 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 1.77 0.00 -0.05 -0.78 1.85 -1.26 -4.82 116.66 113.37 1j5n n ARG 13 Ca -0.12 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.68 1j5n n ARG 13 Cb 0.29 -0.97 -0.07 0.00 -1.05 0.00 0.00 32.46 30.67 1j5n n ARG 13 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1j5n n LYS 14 N 2.73 1.83 0.00 2.89 4.81 -1.26 -5.14 118.16 124.02 1j5n n LYS 14 Ca 0.21 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1j5n n LYS 14 Cb -0.04 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 33.78 1j5n n LYS 14 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1j5n n LYS 15 N -2.49 0.00 0.00 1.64 5.02 -1.26 -5.05 118.16 116.02 1j5n n LYS 15 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1j5n n LYS 15 Cb 0.77 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.78 1j5n n LYS 15 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1j5n n LYS 16 N -1.07 0.00 -3.48 1.97 2.85 -1.26 -5.17 118.16 111.99 1j5n n LYS 16 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 1j5n n LYS 16 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 1j5n n LYS 16 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1j5n s ASP 17 N 0.00 -0.53 0.09 -5.58 1.01 -1.26 -4.99 116.67 105.41 1j5n s ASP 17 Ca 0.00 0.25 -0.29 0.00 0.71 0.00 0.00 52.55 53.22 1j5n s ASP 17 Cb 0.00 0.51 -0.15 0.00 1.01 0.00 0.00 42.92 44.28 1j5n s ASP 17 CO 0.00 -0.73 1.66 1.55 0.21 0.00 0.00 175.17 177.86 1j5n h PRO 18 N 2.35 -0.56 0.00 8.23 0.13 -1.98 -3.34 132.00 136.83 1j5n h PRO 18 Ca -0.28 0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 1j5n h PRO 18 Cb 1.23 0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.48 1j5n h PRO 18 CO 0.36 -0.37 -1.43 0.09 -0.23 0.00 0.00 178.00 176.42 1j5n n ASN 19 N -5.36 2.97 -2.99 1.44 3.02 -1.26 -5.08 115.26 107.99 1j5n n ASN 19 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 1j5n n ASN 19 Cb 0.27 1.32 0.00 0.00 -0.61 0.00 0.00 39.78 40.75 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 -1.87 -1.00 -0.10 5.41 0.00 -1.26 -4.87 120.51 116.82 1j5n n ALA 20 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.30 1j5n n ALA 20 Cb 0.30 -0.50 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 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 4.99 0.52 -1.37 0.00 0.11 -1.95 -3.48 132.00 130.82 1j5n h PRO 21 Ca 0.00 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1j5n h PRO 21 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1j5n h PRO 21 CO 0.00 0.65 0.00 1.63 -0.21 0.00 0.00 178.00 180.07 1j5n n LYS 22 N -4.59 0.00 0.00 1.05 5.02 -1.26 -4.96 118.16 113.42 1j5n n LYS 22 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1j5n n LYS 22 Cb 0.24 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 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 -0.68 0.00 -4.39 1.97 1.85 -1.26 -4.79 116.66 109.36 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 0.34 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.66 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 -0.67 2.96 0.68 2.89 0.00 -1.26 -4.74 121.76 121.62 1j5n s ALA 24 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.15 1j5n s ALA 24 Cb 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1j5n s ALA 24 CO 0.00 0.24 0.00 1.28 0.00 0.00 0.00 175.76 177.28 1j5n n LEU 25 N -0.76 0.00 -4.15 0.00 4.32 -1.26 -4.97 117.00 110.17 1j5n n LEU 25 Ca -0.05 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.84 1j5n n LEU 25 Cb 0.60 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.30 1j5n n LEU 25 CO 0.40 -0.82 -0.37 -0.55 -1.22 0.00 0.00 177.39 174.83 1j5n s SER 26 N -2.08 0.94 0.55 -1.43 0.15 -1.26 -4.88 113.70 105.68 1j5n s SER 26 Ca 0.00 -1.02 0.26 0.00 0.70 0.00 0.00 55.95 55.89 1j5n s SER 26 Cb 0.00 0.13 1.57 0.00 -1.71 0.00 0.00 66.02 66.01 1j5n s SER 26 CO 0.00 -0.52 2.16 0.00 1.20 0.00 0.00 173.24 176.08 1j5n h ALA 27 N 3.00 1.48 0.00 5.45 0.00 -1.89 -0.27 119.26 127.03 1j5n h ALA 27 Ca -0.35 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1j5n h ALA 27 Cb 1.16 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1j5n h ALA 27 CO 0.65 0.08 -0.13 -0.92 0.00 0.00 0.00 179.25 178.93 1j5n h TYR 28 N 0.00 0.00 0.05 0.00 5.03 -1.95 -2.28 116.97 117.82 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 38.43 1j5n h TYR 28 CO 0.00 0.13 -0.71 0.52 -1.32 0.00 0.00 178.16 176.77 1j5n h MET 29 N 0.00 0.10 -0.35 1.82 0.00 -1.45 -0.50 114.93 114.54 1j5n h MET 29 Ca -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 59.70 59.52 1j5n h MET 29 Cb 0.84 0.06 -0.02 0.00 0.00 0.00 0.00 31.60 32.48 1j5n h MET 29 CO 0.02 1.08 0.18 0.74 0.00 0.00 0.00 176.91 178.93 1j5n h PHE 30 N -0.76 0.50 0.21 -0.22 0.04 -1.52 0.43 116.94 115.62 1j5n h PHE 30 Ca -0.17 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.57 1j5n h PHE 30 Cb 1.33 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 39.33 1j5n h PHE 30 CO 0.19 0.41 -0.10 0.35 -0.60 0.00 0.00 178.31 178.56 1j5n h PHE 31 N 0.44 -0.26 0.00 -0.55 3.57 -1.56 -2.18 116.94 116.40 1j5n h PHE 31 Ca 0.12 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1j5n h PHE 31 Cb 0.09 0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1j5n h PHE 31 CO -0.02 0.04 0.09 0.00 -2.23 0.00 0.00 178.31 176.19 1j5n h ALA 32 N 0.14 1.08 -0.00 2.41 0.00 -0.93 -0.34 119.26 121.62 1j5n h ALA 32 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1j5n h ALA 32 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1j5n h ALA 32 CO 0.05 -0.08 -0.11 -0.91 0.00 0.00 0.00 179.25 178.20 1j5n h ASN 33 N 0.00 0.11 -0.31 0.00 2.35 0.48 0.94 115.58 119.14 1j5n h ASN 33 Ca 0.00 -0.76 -0.02 0.00 -0.55 0.00 0.00 56.30 54.98 1j5n h ASN 33 Cb 0.18 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1j5n h ASN 33 CO 0.00 0.85 0.13 -0.33 -1.65 0.00 0.00 177.43 176.42 1j5n h GLU 34 N -0.63 0.46 0.28 0.81 4.39 -0.72 -3.29 114.58 115.89 1j5n h GLU 34 Ca -0.01 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1j5n h GLU 34 Cb 0.86 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1j5n h GLU 34 CO 0.02 0.47 -0.14 -0.91 -1.16 0.00 0.00 179.01 177.29 1j5n h ASN 35 N 0.35 -0.32 0.00 1.42 -0.26 -1.25 -2.61 115.58 112.91 1j5n h ASN 35 Ca 0.10 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 1j5n h ASN 35 Cb 0.17 0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 1j5n h ASN 35 CO -0.01 -0.20 0.00 -1.14 -1.06 0.00 0.00 177.43 175.03 1j5n n ARG 36 N -3.22 0.00 -0.00 0.81 0.63 0.32 0.40 116.66 115.60 1j5n n ARG 36 Ca -0.05 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.75 1j5n n ARG 36 Cb 0.15 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.96 1j5n n ARG 36 CO 0.00 0.00 0.00 0.38 -2.51 0.00 0.00 177.63 175.50 1j5n h ASP 37 N 0.00 -0.03 0.00 6.15 2.03 -1.65 -1.67 116.42 121.25 1j5n h ASP 37 Ca 0.00 -0.48 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 1j5n h ASP 37 Cb 0.00 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.51 1j5n h ASP 37 CO 0.00 0.47 0.00 -0.38 -1.03 0.00 0.00 179.24 178.30 1j5n n ILE 38 N -4.87 0.00 -0.08 4.15 -0.00 1.30 0.40 119.36 120.26 1j5n n ILE 38 Ca -0.09 1.45 -0.15 0.00 -0.00 0.00 0.00 62.75 63.97 1j5n n ILE 38 Cb 0.26 -2.34 -0.10 0.00 -0.00 0.00 0.00 39.64 37.46 1j5n n ILE 38 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 1j5n h VAL 39 N 0.00 0.00 0.00 1.39 2.07 -0.26 0.21 116.25 119.67 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 0.00 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 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 -1.34 0.71 114.38 114.95 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 0.64 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.69 1j5n h ARG 40 CO -0.52 0.00 -0.72 1.03 0.10 0.00 0.00 179.97 179.86 1j5n h SER 41 N 0.00 0.00 0.26 0.08 0.87 0.31 -1.64 113.55 113.43 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 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1j5n h SER 41 CO 0.00 0.72 -0.82 -0.62 -0.53 0.00 0.00 176.83 175.58 1j5n n GLU 42 N -3.54 0.05 -3.17 2.24 1.02 -0.00 -4.47 120.64 112.77 1j5n n GLU 42 Ca -0.00 -0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.95 1j5n n GLU 42 Cb 0.74 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.61 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 -1.58 0.59 0.00 1.62 3.02 0.03 -4.93 115.26 114.02 1j5n n ASN 43 Ca 0.04 -2.98 0.08 0.00 -0.03 0.00 0.00 54.58 51.69 1j5n n ASN 43 Cb 0.35 -0.52 0.48 0.00 -0.61 0.00 0.00 39.78 39.48 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 0.48 0.49 -0.06 3.52 -0.02 -0.62 -3.42 135.00 135.37 1j5n n PRO 44 Ca 0.24 0.01 -0.10 0.00 -2.02 0.00 0.00 63.50 61.62 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 -1.02 1.65 -0.26 2.55 8.00 -1.26 -4.68 116.55 121.53 1j5n n ASP 45 Ca 0.12 0.07 0.17 0.00 0.71 0.00 0.00 54.79 55.86 1j5n n ASP 45 Cb 0.06 -0.27 0.32 0.00 -0.02 0.00 0.00 41.12 41.21 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 -3.26 -0.32 0.00 0.53 -5.35 -1.22 -4.88 119.36 104.86 1j5n n ILE 46 Ca -0.21 1.63 0.00 0.00 -0.27 0.00 0.00 62.75 63.90 1j5n n ILE 46 Cb 0.67 -2.48 0.00 0.00 -1.74 0.00 0.00 39.64 36.09 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 -4.92 0.00 0.00 7.28 -1.04 -1.26 -4.56 114.28 109.77 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 0.76 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.27 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 1.03 0.00 -0.05 -1.42 7.35 -1.26 -1.47 117.46 121.63 1j5n n PHE 48 Ca 0.00 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.74 1j5n n PHE 48 Cb 0.00 0.00 0.10 0.00 0.35 0.00 0.00 39.48 39.93 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 0.00 -0.12 0.29 7.13 0.00 -1.26 0.25 105.19 111.49 1j5n n GLY 49 Ca 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.66 -0.08 1.61 1.08 -1.67 -0.60 115.11 114.79 1j5n h GLN 50 Ca 0.14 0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 1j5n h GLN 50 Cb 0.37 0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1j5n h GLN 50 CO -0.12 -0.37 0.03 -0.24 -0.95 0.00 0.00 178.83 177.18 1j5n h VAL 51 N -1.08 1.15 0.62 -0.54 3.04 0.46 0.06 116.25 119.96 1j5n h VAL 51 Ca -0.07 -0.45 -0.03 0.00 -1.01 0.00 0.00 66.70 65.14 1j5n h VAL 51 Cb 0.59 1.29 0.01 0.00 -2.01 0.00 0.00 31.29 31.17 1j5n h VAL 51 CO 0.11 0.13 -0.30 1.23 -1.01 0.00 0.00 177.57 177.74 1j5n h GLY 52 N -0.03 -0.87 0.89 3.17 0.00 -0.75 0.46 103.07 105.94 1j5n h GLY 52 Ca 0.03 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1j5n h GLY 52 CO -0.00 -0.32 -0.11 0.50 0.00 0.00 0.00 176.54 176.61 1j5n h LYS 53 N -0.89 -0.25 0.00 4.80 1.57 -1.20 -0.95 116.57 119.65 1j5n h LYS 53 Ca -0.09 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1j5n h LYS 53 Cb 0.64 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 1j5n h LYS 53 CO 0.14 -0.17 -0.01 -0.22 -0.57 0.00 0.00 179.45 178.62 1j5n h LYS 54 N -0.26 0.00 -0.07 3.15 3.11 -1.05 -2.02 116.57 119.43 1j5n h LYS 54 Ca -0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 1j5n h LYS 54 Cb 0.24 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.46 1j5n h LYS 54 CO -0.01 0.01 -0.04 -0.07 -2.81 0.00 0.00 179.45 176.53 1j5n h LEU 55 N 0.00 0.15 0.03 5.20 3.38 0.13 -1.50 115.31 122.70 1j5n h LEU 55 Ca -0.00 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 1j5n h LEU 55 Cb 0.11 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1j5n h LEU 55 CO 0.00 0.55 -0.02 1.23 0.09 0.00 0.00 178.44 180.29 1j5n h GLY 56 N -0.25 -0.05 0.47 0.83 0.00 -0.77 0.41 103.07 103.71 1j5n h GLY 56 Ca 0.01 0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.44 1j5n h GLY 56 CO 0.01 -0.02 0.24 1.05 0.00 0.00 0.00 176.54 177.82 1j5n h GLU 57 N -0.14 0.42 0.00 4.80 4.11 -1.52 0.66 114.58 122.91 1j5n h GLU 57 Ca -0.00 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 59.33 1j5n h GLU 57 Cb 0.13 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1j5n h GLU 57 CO 0.01 0.28 -0.33 0.87 0.07 0.00 0.00 179.01 179.91 1j5n h LYS 58 N 0.44 0.00 0.24 1.06 1.79 -1.06 -0.18 116.57 118.86 1j5n h LYS 58 Ca 0.29 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1j5n h LYS 58 Cb 0.32 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1j5n h LYS 58 CO -0.27 0.33 -0.19 2.35 -1.08 0.00 0.00 179.45 180.59 1j5n h TRP 59 N 0.00 -0.51 0.00 -1.35 -0.00 0.22 -1.98 115.95 112.33 1j5n h TRP 59 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1j5n h TRP 59 Cb 0.76 0.19 0.00 0.00 -0.00 0.00 0.00 29.16 30.11 1j5n h TRP 59 CO 0.00 -0.29 -0.32 1.63 -0.00 0.00 0.00 178.44 179.45 1j5n n LYS 60 N -5.32 0.19 0.06 2.65 5.02 -0.97 -3.70 118.16 116.09 1j5n n LYS 60 Ca -0.09 0.10 -0.06 0.00 -2.02 0.00 0.00 58.31 56.24 1j5n n LYS 60 Cb 0.23 -1.66 0.13 0.00 -0.02 0.00 0.00 35.03 33.71 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 2.67 0.88 -2.97 7.82 0.00 -0.56 -3.36 119.26 123.73 1j5n h ALA 61 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1j5n h ALA 61 Cb 0.67 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1j5n h ALA 61 CO 0.00 0.67 0.00 1.28 0.00 0.00 0.00 179.25 181.20 1j5n n LEU 62 N -3.95 0.00 0.00 0.00 4.77 -0.79 -5.04 117.00 111.99 1j5n n LEU 62 Ca -0.02 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1j5n n LEU 62 Cb 0.57 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1j5n n LEU 62 CO 0.44 -0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.91 1j5n n THR 63 N -0.60 0.00 -0.32 -5.08 -1.04 -1.26 -4.86 114.28 101.12 1j5n n THR 63 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 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 -0.65 -0.64 0.00 0.00 175.07 173.78 1j5n h PRO 64 N 0.00 0.05 -0.42 -2.82 0.11 -1.94 0.52 132.00 127.50 1j5n h PRO 64 Ca 0.00 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.12 1j5n h PRO 64 Cb 0.00 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.07 1j5n h PRO 64 CO 0.00 0.03 0.25 1.49 -0.21 0.00 0.00 178.00 179.56 1j5n h GLU 65 N 0.05 0.49 -0.15 1.05 4.81 -2.00 -0.26 114.58 118.57 1j5n h GLU 65 Ca 0.55 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.80 1j5n h GLU 65 Cb 1.11 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1j5n h GLU 65 CO -0.84 0.32 0.12 0.93 -0.73 0.00 0.00 179.01 178.81 1j5n h GLU 66 N 0.50 0.00 0.00 1.92 4.39 -0.36 0.82 114.58 121.84 1j5n h GLU 66 Ca 0.16 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.75 1j5n h GLU 66 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1j5n h GLU 66 CO -0.07 0.00 -0.54 0.87 -1.16 0.00 0.00 179.01 178.10 1j5n h LYS 67 N 0.00 0.00 -0.38 2.33 1.57 0.34 -3.38 116.57 117.06 1j5n h LYS 67 Ca 0.07 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1j5n h LYS 67 Cb 0.32 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 1j5n h LYS 67 CO -0.00 0.54 -0.21 1.04 -0.57 0.00 0.00 179.45 180.25 1j5n n GLN 68 N -3.24 -0.15 0.01 3.15 6.02 0.28 0.58 117.38 124.02 1j5n n GLN 68 Ca 0.02 0.57 -0.12 0.00 -0.01 0.00 0.00 57.00 57.46 1j5n n GLN 68 Cb 0.75 -0.84 -0.06 0.00 1.02 0.00 0.00 30.24 31.12 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 -0.46 0.00 -1.09 0.13 -1.76 0.32 132.00 129.14 1j5n h PRO 69 Ca 0.07 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1j5n h PRO 69 Cb 0.16 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.40 1j5n h PRO 69 CO -0.36 -0.31 -0.03 1.88 -0.23 0.00 0.00 178.00 178.96 1j5n h TYR 70 N -0.48 0.00 -1.00 1.56 0.05 -0.36 -1.67 116.97 115.07 1j5n h TYR 70 Ca 0.08 0.00 0.19 0.00 0.05 0.00 0.00 58.73 59.05 1j5n h TYR 70 Cb 0.61 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 38.17 1j5n h TYR 70 CO -0.46 0.00 -0.28 1.49 -1.05 0.00 0.00 178.16 177.86 1j5n h GLU 71 N -0.72 -0.00 -0.79 4.88 4.22 0.02 3.38 114.58 125.58 1j5n h GLU 71 Ca 0.00 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.46 1j5n h GLU 71 Cb 0.03 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1j5n h GLU 71 CO 0.00 -0.00 0.51 0.00 -2.18 0.00 0.00 179.01 177.34 1j5n h ALA 72 N 1.87 1.02 0.00 2.92 0.00 -1.01 0.59 119.26 124.64 1j5n h ALA 72 Ca 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1j5n h ALA 72 Cb 0.70 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1j5n h ALA 72 CO -1.02 0.36 0.00 0.87 0.00 0.00 0.00 179.25 179.46 1j5n h LYS 73 N 1.02 0.00 -0.07 0.00 1.79 0.65 -1.00 116.57 118.97 1j5n h LYS 73 Ca 0.30 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.70 1j5n h LYS 73 Cb -0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 1j5n h LYS 73 CO -0.09 0.00 -0.23 0.00 -1.08 0.00 0.00 179.45 178.05 1j5n h ALA 74 N 2.00 0.12 -0.79 3.86 0.00 0.75 0.51 119.26 125.72 1j5n h ALA 74 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1j5n h ALA 74 Cb 0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1j5n h ALA 74 CO 0.00 0.10 0.46 1.96 0.00 0.00 0.00 179.25 181.78 1j5n h GLN 75 N -0.22 1.07 0.00 0.00 4.20 -0.74 0.47 115.11 119.90 1j5n h GLN 75 Ca -0.01 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 1j5n h GLN 75 Cb 0.86 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1j5n h GLN 75 CO 0.05 0.76 -0.21 0.00 -0.67 0.00 0.00 178.83 178.76 1j5n h ALA 76 N 1.42 1.43 0.00 3.87 0.00 -1.11 -2.13 119.26 122.73 1j5n h ALA 76 Ca 0.28 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 1j5n h ALA 76 Cb -0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1j5n h ALA 76 CO -0.05 0.26 -1.20 0.22 0.00 0.00 0.00 179.25 178.48 1j5n h ASP 77 N 0.00 0.00 -0.54 0.00 3.58 0.13 -2.54 116.42 117.05 1j5n h ASP 77 Ca -0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1j5n h ASP 77 Cb 0.43 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1j5n h ASP 77 CO 0.03 0.79 0.23 0.11 -2.88 0.00 0.00 179.24 177.51 1j5n h LYS 78 N 0.00 0.81 -0.25 0.28 1.57 0.48 -2.40 116.57 117.05 1j5n h LYS 78 Ca -0.12 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.39 1j5n h LYS 78 Cb 1.71 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.89 1j5n h LYS 78 CO 0.08 0.69 -0.35 -0.22 -0.57 0.00 0.00 179.45 179.08 1j5n h LYS 79 N 0.74 0.68 -0.98 3.15 3.11 -1.55 -0.77 116.57 120.95 1j5n h LYS 79 Ca 0.18 -0.40 0.12 0.00 -2.81 0.00 0.00 60.65 57.74 1j5n h LYS 79 Cb 0.18 0.03 -0.14 0.00 -1.00 0.00 0.00 32.23 31.31 1j5n h LYS 79 CO -0.02 1.01 -0.48 -2.13 -2.81 0.00 0.00 179.45 175.03 1j5n n ARG 80 N -4.24 -0.33 0.04 1.90 3.00 -0.96 0.77 116.66 116.85 1j5n n ARG 80 Ca -0.05 1.49 -0.09 0.00 -0.00 0.00 0.00 57.85 59.21 1j5n n ARG 80 Cb 0.51 -2.20 0.06 0.00 0.00 0.00 0.00 32.46 30.82 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 0.56 -0.70 -0.14 5.03 -1.45 -2.95 116.97 117.32 1j5n h TYR 81 Ca 0.25 -0.22 0.20 0.00 2.58 0.00 0.00 58.73 61.54 1j5n h TYR 81 Cb 0.49 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.65 1j5n h TYR 81 CO -0.93 0.94 0.86 1.49 -1.32 0.00 0.00 178.16 179.20 1j5n h GLU 82 N 0.32 0.00 -0.03 1.82 4.81 0.19 0.81 114.58 122.49 1j5n h GLU 82 Ca -0.01 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1j5n h GLU 82 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1j5n h GLU 82 CO 0.11 0.00 -0.19 1.03 -0.73 0.00 0.00 179.01 179.23 1j5n h SER 83 N 0.00 0.22 0.60 1.04 0.87 -1.05 -1.49 113.55 113.74 1j5n h SER 83 Ca 0.33 -0.67 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1j5n h SER 83 Cb 2.05 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.95 1j5n h SER 83 CO -0.00 0.86 0.00 -1.84 -0.53 0.00 0.00 176.83 175.32 1j5n n GLU 84 N -4.57 0.13 -0.09 2.24 0.28 0.27 -1.92 120.64 116.97 1j5n n GLU 84 Ca -0.09 0.38 -0.17 0.00 -0.16 0.00 0.00 57.16 57.12 1j5n n GLU 84 Cb 0.44 -1.75 -0.10 0.00 1.43 0.00 0.00 31.44 31.46 1j5n n GLU 84 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 177.13 178.54 1j5n h LYS 85 N 0.00 0.00 -0.80 3.44 2.10 -1.08 0.09 116.57 120.33 1j5n h LYS 85 Ca 0.00 0.00 0.18 0.00 -2.00 0.00 0.00 60.65 58.83 1j5n h LYS 85 Cb 0.30 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.58 1j5n h LYS 85 CO 0.00 0.80 0.54 1.05 -2.00 0.00 0.00 179.45 179.84 1j5n h GLU 86 N -1.00 0.32 0.19 0.07 4.11 -1.14 0.43 114.58 117.56 1j5n h GLU 86 Ca -0.22 -0.02 -0.32 0.00 0.07 0.00 0.00 59.36 58.87 1j5n h GLU 86 Cb 1.07 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 30.27 1j5n h GLU 86 CO -0.13 0.21 -1.51 1.25 0.07 0.00 0.00 179.01 178.89 1j5n h LEU 87 N 0.33 0.64 -0.83 3.06 6.46 -1.52 -1.60 115.31 121.86 1j5n h LEU 87 Ca 0.40 -0.92 0.32 0.00 -0.12 0.00 0.00 57.88 57.55 1j5n h LEU 87 Cb 1.06 -0.21 -0.15 0.00 -0.73 0.00 0.00 40.66 40.63 1j5n h LEU 87 CO -0.12 1.70 0.33 0.00 -0.62 0.00 0.00 178.44 179.74 1j5n n TYR 88 N -3.74 0.85 -0.04 1.25 9.36 0.08 0.21 117.16 125.13 1j5n n TYR 88 Ca -0.21 0.98 -0.10 0.00 3.32 0.00 0.00 57.90 61.89 1j5n n TYR 88 Cb 1.03 -1.32 -0.14 0.00 -0.63 0.00 0.00 39.34 38.28 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 -4.96 0.77 0.00 2.98 0.23 -0.86 -1.76 115.26 111.67 1j5n n ASN 89 Ca 0.28 0.30 0.06 0.00 -0.53 0.00 0.00 54.58 54.70 1j5n n ASN 89 Cb 0.95 0.12 0.36 0.00 -2.08 0.00 0.00 39.78 39.14 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 2.34 0.00 -2.53 0.00 0.55 -1.81 120.51 116.43 1j5n n ALA 90 Ca -0.22 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1j5n n ALA 90 Cb 1.07 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.75 0.00 0.04 0.00 5.66 0.26 -4.83 114.28 114.67 1j5n n THR 91 Ca 0.09 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.05 1j5n n THR 91 Cb 0.04 -0.57 0.19 0.00 -1.55 0.00 0.00 70.33 68.44 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 0.43 0.00 1.09 8.10 -1.43 -3.51 115.31 119.99 1j5n h LEU 92 Ca 0.00 -0.17 0.00 0.00 0.11 0.00 0.00 57.88 57.82 1j5n h LEU 92 Cb 0.30 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.40 1j5n h LEU 92 CO 0.00 0.74 0.00 0.00 -4.11 0.00 0.00 178.44 175.07