#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 0.00 -3.37 2.03 -1.51 -2.10 -3.37 116.25 107.94 1j5n h VAL 2 Ca 0.00 -0.54 -0.64 0.00 -1.23 0.00 0.00 66.70 64.28 1j5n h VAL 2 Cb 0.00 1.50 -0.41 0.00 -2.13 0.00 0.00 31.29 30.25 1j5n h VAL 2 CO 0.00 0.00 -0.60 0.42 -1.23 0.00 0.00 177.57 176.16 1j5n s THR 3 N -3.50 2.71 0.17 7.19 -4.23 -1.26 -5.09 115.64 111.63 1j5n s THR 3 Ca 0.03 -3.39 -0.34 0.00 -1.18 0.00 0.00 61.69 56.81 1j5n s THR 3 Cb 0.09 -2.86 -0.15 0.00 1.34 0.00 0.00 72.50 70.92 1j5n s THR 3 CO 0.54 -0.83 1.38 -2.65 -0.54 0.00 0.00 174.62 172.53 1j5n n PRO 4 N 3.02 1.66 -0.75 3.99 -0.02 -1.26 -4.87 135.00 136.77 1j5n n PRO 4 Ca 0.07 0.59 -0.04 0.00 -2.02 0.00 0.00 63.50 62.10 1j5n n PRO 4 Cb 0.33 -2.24 0.22 0.00 -0.02 0.00 0.00 33.50 31.79 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 2.46 3.01 -3.97 -0.52 5.12 -1.26 -4.91 116.66 116.59 1j5n n ARG 5 Ca 0.15 -2.22 -0.34 0.00 -1.93 0.00 0.00 57.85 53.51 1j5n n ARG 5 Cb 0.26 -1.97 -0.06 0.00 -1.16 0.00 0.00 32.46 29.54 1j5n n ARG 5 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1j5n s GLU 6 N -2.31 3.33 0.35 5.56 2.12 -1.26 -5.07 118.70 121.42 1j5n s GLU 6 Ca 0.40 -0.32 -0.27 0.00 0.36 0.00 0.00 54.97 55.15 1j5n s GLU 6 Cb 0.32 -3.05 -0.12 0.00 0.26 0.00 0.00 34.13 31.53 1j5n s GLU 6 CO 0.10 0.70 1.07 -2.30 -0.54 0.00 0.00 175.26 174.29 1j5n n PRO 7 N 1.31 1.53 -2.69 4.30 -0.02 -1.26 -4.95 135.00 133.23 1j5n n PRO 7 Ca -0.14 0.54 -0.07 0.00 -2.02 0.00 0.00 63.50 61.81 1j5n n PRO 7 Cb 0.53 -2.02 0.08 0.00 -0.02 0.00 0.00 33.50 32.07 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 0.50 1.20 -3.15 -0.52 4.76 -1.26 -5.07 118.16 114.62 1j5n n LYS 8 Ca 0.08 -2.43 -0.00 0.00 -2.87 0.00 0.00 58.31 53.10 1j5n n LYS 8 Cb 0.35 -0.56 -0.00 0.00 -1.84 0.00 0.00 35.03 32.99 1j5n n LYS 8 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1j5n n LYS 9 N -0.42 -0.62 -4.47 1.97 4.01 -1.26 -4.99 118.16 112.38 1j5n n LYS 9 Ca 0.02 0.95 -0.21 0.00 -0.51 0.00 0.00 58.31 58.55 1j5n n LYS 9 Cb 0.84 -1.09 -0.15 0.00 -0.51 0.00 0.00 35.03 34.11 1j5n n LYS 9 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 1j5n s ARG 10 N -0.78 1.09 0.00 1.97 1.70 -1.26 -5.05 118.95 116.61 1j5n s ARG 10 Ca -0.00 -0.36 0.00 0.00 -0.47 0.00 0.00 55.73 54.89 1j5n s ARG 10 Cb 0.00 -1.00 0.00 0.00 -0.57 0.00 0.00 34.95 33.38 1j5n s ARG 10 CO 0.03 0.15 0.00 0.25 -1.08 0.00 0.00 175.30 174.64 1j5n n THR 11 N 3.22 0.00 -3.99 4.99 -2.24 -1.26 -4.99 114.28 110.02 1j5n n THR 11 Ca -0.18 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.33 1j5n n THR 11 Cb 0.54 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.69 1j5n n THR 11 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1j5n n THR 12 N 0.00 -0.68 -0.98 4.28 -2.24 -1.26 -4.73 114.28 108.67 1j5n n THR 12 Ca 0.00 -0.34 -0.31 0.00 -2.27 0.00 0.00 64.05 61.13 1j5n n THR 12 Cb 0.00 -0.75 0.01 0.00 -2.10 0.00 0.00 70.33 67.49 1j5n n THR 12 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1j5n n ARG 13 N -3.85 0.00 0.00 -0.78 5.12 -1.26 -4.92 116.66 110.97 1j5n n ARG 13 Ca -0.21 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.71 1j5n n ARG 13 Cb 0.54 -0.81 0.00 0.00 -1.16 0.00 0.00 32.46 31.03 1j5n n ARG 13 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1j5n n LYS 14 N 1.31 -0.78 -2.69 5.56 4.81 -1.26 -5.04 118.16 120.07 1j5n n LYS 14 Ca 0.05 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.28 1j5n n LYS 14 Cb 0.39 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.51 1j5n n LYS 14 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1j5n s LYS 15 N -1.85 2.16 0.00 1.64 2.20 -1.26 -5.08 119.74 117.54 1j5n s LYS 15 Ca 0.00 -1.07 0.00 0.00 -0.36 0.00 0.00 55.97 54.54 1j5n s LYS 15 Cb 0.00 -2.46 0.00 0.00 -1.51 0.00 0.00 37.83 33.86 1j5n s LYS 15 CO 0.00 -1.02 0.00 1.17 -0.36 0.00 0.00 175.35 175.14 1j5n n LYS 16 N -2.51 0.00 0.00 4.03 4.81 -1.26 -5.18 118.16 118.05 1j5n n LYS 16 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1j5n n LYS 16 Cb 0.60 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.65 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 0.31 3.14 9.92 -1.26 -4.84 116.55 123.82 1j5n n ASP 17 Ca 0.00 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 54.09 1j5n n ASP 17 Cb 0.00 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.40 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 -0.83 0.00 -0.24 0.13 -1.98 -3.33 132.00 125.75 1j5n h PRO 18 Ca 0.00 0.06 -0.26 0.00 -0.87 0.00 0.00 66.00 64.93 1j5n h PRO 18 Cb 0.00 0.19 -0.05 0.00 0.13 0.00 0.00 31.00 31.27 1j5n h PRO 18 CO 0.00 -0.55 -2.05 0.09 -0.23 0.00 0.00 178.00 175.25 1j5n n ASN 19 N -5.49 1.09 -3.19 1.44 4.13 -1.26 -5.06 115.26 106.91 1j5n n ASN 19 Ca -0.12 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 55.92 1j5n n ASN 19 Cb 0.38 0.99 0.02 0.00 -1.54 0.00 0.00 39.78 39.64 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 -2.53 -2.67 0.03 5.41 0.00 -1.25 -4.90 120.51 114.60 1j5n n ALA 20 Ca -0.23 0.69 -0.10 0.00 0.00 0.00 0.00 53.44 53.79 1j5n n ALA 20 Cb 0.95 -2.87 -0.04 0.00 0.00 0.00 0.00 19.45 17.49 1j5n n ALA 20 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1j5n h PRO 21 N 1.85 -0.22 -1.40 0.00 0.13 -1.96 -3.48 132.00 126.93 1j5n h PRO 21 Ca -0.28 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1j5n h PRO 21 Cb 1.20 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1j5n h PRO 21 CO 0.23 -0.14 0.00 1.63 -0.23 0.00 0.00 178.00 179.48 1j5n n LYS 22 N -5.29 0.00 0.00 0.86 5.02 -1.26 -4.98 118.16 112.52 1j5n n LYS 22 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1j5n n LYS 22 Cb 0.21 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 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 -0.70 0.00 -4.44 1.97 1.85 -1.26 -4.81 116.66 109.28 1j5n n ARG 23 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.64 1j5n n ARG 23 Cb 0.28 0.00 -0.11 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 -0.49 2.30 0.91 2.89 0.00 -1.26 -4.68 121.76 121.43 1j5n s ALA 24 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 51.96 49.93 1j5n s ALA 24 Cb 0.00 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.78 1j5n s ALA 24 CO 0.00 -0.31 0.00 1.28 0.00 0.00 0.00 175.76 176.73 1j5n n LEU 25 N -0.66 0.00 -4.27 0.00 4.32 -1.26 -4.97 117.00 110.16 1j5n n LEU 25 Ca -0.02 0.00 -0.15 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 -1.42 -0.38 -0.55 -1.22 0.00 0.00 177.39 174.24 1j5n s SER 26 N -1.91 1.74 0.52 -1.43 0.15 -1.26 -4.84 113.70 106.67 1j5n s SER 26 Ca 0.00 -1.08 0.34 0.00 0.70 0.00 0.00 55.95 55.91 1j5n s SER 26 Cb 0.00 0.01 1.84 0.00 -1.71 0.00 0.00 66.02 66.15 1j5n s SER 26 CO 0.00 -0.40 2.03 0.00 1.20 0.00 0.00 173.24 176.07 1j5n h ALA 27 N 2.70 1.03 0.00 5.45 0.00 -1.88 0.13 119.26 126.70 1j5n h ALA 27 Ca -0.37 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 1j5n h ALA 27 Cb 1.20 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1j5n h ALA 27 CO 0.64 -0.03 -0.80 -0.92 0.00 0.00 0.00 179.25 178.13 1j5n h TYR 28 N 0.00 0.00 0.09 0.00 5.03 -1.94 -2.20 116.97 117.95 1j5n h TYR 28 Ca 0.00 0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.16 1j5n h TYR 28 Cb 0.07 0.00 0.02 0.00 1.55 0.00 0.00 36.73 38.37 1j5n h TYR 28 CO 0.00 0.66 -0.65 0.52 -1.32 0.00 0.00 178.16 177.37 1j5n h MET 29 N 0.00 0.28 -0.17 1.82 0.00 -1.14 0.12 114.93 115.84 1j5n h MET 29 Ca -0.04 -0.43 -0.03 0.00 0.00 0.00 0.00 59.70 59.20 1j5n h MET 29 Cb 1.54 0.15 -0.01 0.00 0.00 0.00 0.00 31.60 33.28 1j5n h MET 29 CO 0.08 1.17 -0.03 0.74 0.00 0.00 0.00 176.91 178.87 1j5n h PHE 30 N -0.39 0.35 0.10 -0.22 0.04 -1.57 0.31 116.94 115.57 1j5n h PHE 30 Ca -0.11 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.59 1j5n h PHE 30 Cb 1.47 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.53 1j5n h PHE 30 CO 0.19 0.57 -0.05 0.35 -0.60 0.00 0.00 178.31 178.78 1j5n h PHE 31 N 0.03 -0.12 -0.31 -0.55 3.57 -1.52 -1.90 116.94 116.13 1j5n h PHE 31 Ca 0.04 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.63 1j5n h PHE 31 Cb 0.45 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1j5n h PHE 31 CO 0.05 0.11 0.26 0.00 -2.23 0.00 0.00 178.31 176.50 1j5n h ALA 32 N 0.53 2.13 -0.12 2.41 0.00 -0.74 0.31 119.26 123.78 1j5n h ALA 32 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1j5n h ALA 32 Cb 0.29 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1j5n h ALA 32 CO 0.02 -0.42 0.06 -0.91 0.00 0.00 0.00 179.25 178.01 1j5n h ASN 33 N 0.00 0.14 -0.46 0.00 2.35 0.43 0.39 115.58 118.43 1j5n h ASN 33 Ca 0.15 -0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 1j5n h ASN 33 Cb 0.66 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.98 1j5n h ASN 33 CO -0.00 0.19 -0.04 -0.33 -1.65 0.00 0.00 177.43 175.60 1j5n h GLU 34 N 0.09 0.84 0.00 0.81 4.39 -0.62 -3.34 114.58 116.74 1j5n h GLU 34 Ca 0.04 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1j5n h GLU 34 Cb 0.08 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1j5n h GLU 34 CO -0.01 0.91 0.00 0.09 -1.16 0.00 0.00 179.01 178.84 1j5n n ASN 35 N -4.33 0.00 0.00 1.42 5.03 -0.20 -2.23 115.26 114.95 1j5n n ASN 35 Ca 0.00 0.64 0.00 0.00 0.87 0.00 0.00 54.58 56.10 1j5n n ASN 35 Cb 0.33 -0.32 0.00 0.00 -1.02 0.00 0.00 39.78 38.78 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 -1.45 0.00 0.04 3.52 0.63 0.13 0.45 116.66 119.98 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 0.38 -2.51 0.00 0.00 177.63 175.50 1j5n h ASP 37 N 0.00 -0.09 0.01 6.15 2.03 -1.69 -2.07 116.42 120.77 1j5n h ASP 37 Ca 0.00 -0.34 -0.00 0.00 -0.73 0.00 0.00 57.03 55.96 1j5n h ASP 37 Cb 0.00 0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 38.52 1j5n h ASP 37 CO 0.00 0.31 -0.01 0.40 -1.03 0.00 0.00 179.24 178.91 1j5n h ILE 38 N -0.50 0.00 -0.57 4.15 5.03 0.99 0.45 117.51 127.07 1j5n h ILE 38 Ca -0.01 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.78 1j5n h ILE 38 Cb 0.42 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 34.14 1j5n h ILE 38 CO 0.02 0.00 -0.33 0.52 -0.68 0.00 0.00 178.15 177.67 1j5n n VAL 39 N -2.15 -0.39 0.28 1.67 0.31 0.15 0.66 118.33 118.87 1j5n n VAL 39 Ca -0.00 1.96 0.14 0.00 -0.01 0.00 0.00 64.34 66.43 1j5n n VAL 39 Cb 0.01 -2.48 0.81 0.00 -0.91 0.00 0.00 33.84 31.26 1j5n n VAL 39 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1j5n h ARG 40 N 0.00 0.00 0.00 5.55 2.43 -1.42 -0.51 114.38 120.43 1j5n h ARG 40 Ca 0.09 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1j5n h ARG 40 Cb 0.23 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1j5n h ARG 40 CO -0.53 0.07 -0.17 1.03 -1.51 0.00 0.00 179.97 178.86 1j5n h SER 41 N 0.00 0.00 0.00 -3.80 0.87 0.51 0.10 113.55 111.23 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 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1j5n h SER 41 CO 0.01 0.17 -1.68 -0.62 -0.53 0.00 0.00 176.83 174.19 1j5n n GLU 42 N -3.36 0.52 -2.96 2.24 1.02 -0.16 -4.57 120.64 113.37 1j5n n GLU 42 Ca 0.00 -0.14 -0.18 0.00 -0.02 0.00 0.00 57.16 56.82 1j5n n GLU 42 Cb 0.39 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.30 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 -2.02 1.88 0.07 1.62 3.02 -0.34 -4.91 115.26 114.59 1j5n n ASN 43 Ca -0.02 -3.10 0.05 0.00 -0.03 0.00 0.00 54.58 51.48 1j5n n ASN 43 Cb 0.48 -0.57 0.25 0.00 -0.61 0.00 0.00 39.78 39.33 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 0.05 0.06 0.02 3.52 -0.02 -0.00 -1.32 135.00 137.31 1j5n n PRO 44 Ca 0.23 0.54 -0.15 0.00 -2.02 0.00 0.00 63.50 62.11 1j5n n PRO 44 Cb 0.66 -1.72 -0.14 0.00 -0.02 0.00 0.00 33.50 32.28 1j5n n PRO 44 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1j5n h ASP 45 N 0.00 0.26 -3.77 2.55 5.19 -1.91 -3.46 116.42 115.28 1j5n h ASP 45 Ca 0.00 -0.45 -0.50 0.00 -0.62 0.00 0.00 57.03 55.46 1j5n h ASP 45 Cb 0.06 -0.08 0.01 0.00 0.18 0.00 0.00 39.33 39.49 1j5n h ASP 45 CO 0.00 1.39 0.44 0.27 -3.12 0.00 0.00 179.24 178.22 1j5n s ILE 46 N -2.60 3.68 0.00 0.35 -4.36 -0.43 -5.05 121.20 112.78 1j5n s ILE 46 Ca -0.10 1.67 0.00 0.00 -0.26 0.00 0.00 60.65 61.96 1j5n s ILE 46 Cb 0.07 -4.07 0.00 0.00 1.25 0.00 0.00 42.46 39.72 1j5n s ILE 46 CO 0.82 0.39 0.00 0.35 0.24 0.00 0.00 174.94 176.74 1j5n n THR 47 N 1.37 0.00 -0.09 8.37 -2.24 -1.26 -4.69 114.28 115.74 1j5n n THR 47 Ca -0.01 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.88 1j5n n THR 47 Cb 0.45 -1.50 0.49 0.00 -2.10 0.00 0.00 70.33 67.67 1j5n n THR 47 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1j5n h PHE 48 N -0.37 0.46 0.00 4.78 3.57 -1.97 -0.50 116.94 122.91 1j5n h PHE 48 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1j5n h PHE 48 Cb 0.00 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.59 1j5n h PHE 48 CO 0.00 0.22 0.00 0.41 -2.23 0.00 0.00 178.31 176.71 1j5n n GLY 49 N -1.51 -0.66 1.36 2.40 0.00 -1.26 -1.10 105.19 104.42 1j5n n GLY 49 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1j5n n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j5n n GLN 50 N -0.68 0.00 -0.22 1.61 1.13 -0.31 -4.58 117.38 114.32 1j5n n GLN 50 Ca 0.06 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 55.05 1j5n n GLN 50 Cb 0.03 -0.32 0.04 0.00 0.11 0.00 0.00 30.24 30.09 1j5n n GLN 50 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1j5n h VAL 51 N 0.00 1.21 0.14 5.09 2.07 -1.31 -0.24 116.25 123.20 1j5n h VAL 51 Ca 0.00 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1j5n h VAL 51 Cb 0.43 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1j5n h VAL 51 CO 0.00 0.23 -0.07 1.23 0.02 0.00 0.00 177.57 178.98 1j5n h GLY 52 N 0.85 -0.19 0.28 2.17 0.00 -1.32 0.52 103.07 105.38 1j5n h GLY 52 Ca 0.22 0.07 0.10 0.00 0.00 0.00 0.00 47.33 47.72 1j5n h GLY 52 CO -0.03 -0.07 0.15 0.50 0.00 0.00 0.00 176.54 177.08 1j5n h LYS 53 N -0.25 0.28 0.00 4.80 1.57 -1.66 0.32 116.57 121.62 1j5n h LYS 53 Ca -0.02 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1j5n h LYS 53 Cb 0.14 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1j5n h LYS 53 CO 0.03 0.19 -0.10 0.87 -0.57 0.00 0.00 179.45 179.87 1j5n h LYS 54 N 0.29 0.00 -0.04 3.15 1.79 -1.13 -2.39 116.57 118.24 1j5n h LYS 54 Ca 0.29 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1j5n h LYS 54 Cb 0.41 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1j5n h LYS 54 CO -0.36 0.10 0.02 -0.07 -1.08 0.00 0.00 179.45 178.06 1j5n h LEU 55 N 0.00 0.06 0.09 2.94 3.38 0.20 -1.00 115.31 120.98 1j5n h LEU 55 Ca -0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1j5n h LEU 55 Cb 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1j5n h LEU 55 CO 0.01 0.18 -0.04 1.23 0.09 0.00 0.00 178.44 179.91 1j5n h GLY 56 N -0.07 -0.13 0.55 0.83 0.00 -0.92 0.39 103.07 103.72 1j5n h GLY 56 Ca 0.01 0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.42 1j5n h GLY 56 CO -0.00 -0.05 -0.17 1.05 0.00 0.00 0.00 176.54 177.37 1j5n h GLU 57 N -0.24 -0.25 0.00 4.80 4.11 -1.46 -0.77 114.58 120.77 1j5n h GLU 57 Ca -0.01 0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.40 1j5n h GLU 57 Cb 0.20 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1j5n h GLU 57 CO 0.02 -0.17 -0.17 0.87 0.07 0.00 0.00 179.01 179.63 1j5n h LYS 58 N -0.26 0.00 0.71 1.06 1.79 -1.14 -0.97 116.57 117.76 1j5n h LYS 58 Ca 0.06 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.50 1j5n h LYS 58 Cb 0.35 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 1j5n h LYS 58 CO -0.18 0.17 -0.47 2.35 -1.08 0.00 0.00 179.45 180.24 1j5n h TRP 59 N 0.00 -1.26 0.00 -1.35 2.91 0.13 -1.83 115.95 114.55 1j5n h TRP 59 Ca -0.00 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.01 1j5n h TRP 59 Cb 0.43 0.46 0.00 0.00 -0.51 0.00 0.00 29.16 29.54 1j5n h TRP 59 CO 0.00 -0.69 0.00 0.87 -1.03 0.00 0.00 178.44 177.59 1j5n h LYS 60 N -1.11 0.00 -0.48 2.65 1.57 -1.38 -3.06 116.57 114.76 1j5n h LYS 60 Ca -0.09 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 1j5n h LYS 60 Cb 0.90 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1j5n h LYS 60 CO 0.07 0.00 0.01 0.00 -0.57 0.00 0.00 179.45 178.96 1j5n h ALA 61 N 2.13 1.11 -0.44 3.86 0.00 -0.60 -3.29 119.26 122.03 1j5n h ALA 61 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1j5n h ALA 61 Cb 0.59 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1j5n h ALA 61 CO 0.00 0.57 0.00 1.28 0.00 0.00 0.00 179.25 181.10 1j5n n LEU 62 N -4.22 0.00 0.00 0.00 4.77 -0.74 -5.02 117.00 111.79 1j5n n LEU 62 Ca 0.03 0.93 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 1j5n n LEU 62 Cb 0.29 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1j5n n LEU 62 CO 0.41 -0.43 0.00 0.41 -1.33 0.00 0.00 177.39 176.46 1j5n n THR 63 N -2.11 0.00 -0.32 -5.08 -1.04 -1.24 -4.78 114.28 99.70 1j5n n THR 63 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.11 1j5n n THR 63 Cb 0.00 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 68.71 1j5n n THR 63 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1j5n n PRO 64 N -1.75 -0.08 -0.05 -2.82 -0.02 -1.26 0.49 135.00 129.51 1j5n n PRO 64 Ca 0.00 1.38 -0.08 0.00 -2.02 0.00 0.00 63.50 62.78 1j5n n PRO 64 Cb 0.00 -2.13 -0.02 0.00 -0.02 0.00 0.00 33.50 31.33 1j5n n PRO 64 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1j5n h GLU 65 N 0.00 0.05 -0.13 -0.52 3.07 -2.00 0.52 114.58 115.57 1j5n h GLU 65 Ca 0.49 -0.00 0.04 0.00 -0.50 0.00 0.00 59.36 59.39 1j5n h GLU 65 Cb 0.91 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.80 1j5n h GLU 65 CO -0.89 0.03 0.13 0.93 -1.40 0.00 0.00 179.01 177.82 1j5n h GLU 66 N 0.05 0.00 0.00 2.33 4.39 -0.27 0.56 114.58 121.64 1j5n h GLU 66 Ca 0.11 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.65 1j5n h GLU 66 Cb 0.15 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1j5n h GLU 66 CO -0.20 0.00 -0.76 0.87 -1.16 0.00 0.00 179.01 177.77 1j5n h LYS 67 N 0.00 0.00 -0.61 2.33 1.57 0.05 -3.36 116.57 116.56 1j5n h LYS 67 Ca 0.06 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.96 1j5n h LYS 67 Cb 0.32 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.52 1j5n h LYS 67 CO -0.00 0.76 -0.17 1.04 -0.57 0.00 0.00 179.45 180.51 1j5n n GLN 68 N -3.30 -0.07 0.11 3.15 6.02 0.19 0.53 117.38 124.00 1j5n n GLN 68 Ca 0.01 0.95 -0.14 0.00 -0.01 0.00 0.00 57.00 57.81 1j5n n GLN 68 Cb 0.83 -1.41 -0.07 0.00 1.02 0.00 0.00 30.24 30.62 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 -0.59 0.00 -1.09 0.11 -1.75 -0.20 132.00 128.47 1j5n h PRO 69 Ca 0.28 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1j5n h PRO 69 Cb 0.43 0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1j5n h PRO 69 CO -0.62 -0.39 -0.08 1.88 -0.21 0.00 0.00 178.00 178.57 1j5n h TYR 70 N -0.61 0.00 -0.98 0.65 -1.99 -0.54 -1.90 116.97 111.60 1j5n h TYR 70 Ca 0.03 0.00 0.20 0.00 2.00 0.00 0.00 58.73 60.95 1j5n h TYR 70 Cb 0.65 0.00 -0.19 0.00 2.00 0.00 0.00 36.73 39.19 1j5n h TYR 70 CO -0.34 0.00 -0.24 -1.91 -0.00 0.00 0.00 178.16 175.67 1j5n n GLU 71 N -4.22 -0.09 -0.23 4.88 2.13 0.19 0.33 120.64 123.63 1j5n n GLU 71 Ca -0.01 1.53 -0.06 0.00 0.66 0.00 0.00 57.16 59.28 1j5n n GLU 71 Cb 0.04 -2.28 0.04 0.00 0.27 0.00 0.00 31.44 29.51 1j5n n GLU 71 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1j5n h ALA 72 N 1.96 0.83 0.00 4.31 0.00 -1.11 0.45 119.26 125.69 1j5n h ALA 72 Ca 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1j5n h ALA 72 Cb 0.72 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1j5n h ALA 72 CO -1.01 0.32 0.01 -0.22 0.00 0.00 0.00 179.25 178.35 1j5n h LYS 73 N 0.89 0.00 0.03 0.00 3.64 0.63 -0.66 116.57 121.10 1j5n h LYS 73 Ca 0.23 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.52 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 -0.04 0.00 -0.37 0.00 -2.27 0.00 0.00 179.45 176.76 1j5n h ALA 74 N 1.97 0.00 -0.14 5.00 0.00 0.66 -1.44 119.26 125.32 1j5n h ALA 74 Ca 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1j5n h ALA 74 Cb 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1j5n h ALA 74 CO 0.00 0.17 -0.03 1.96 0.00 0.00 0.00 179.25 181.35 1j5n h GLN 75 N -0.51 0.20 -0.14 0.00 4.20 -0.65 0.40 115.11 118.61 1j5n h GLN 75 Ca -0.06 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1j5n h GLN 75 Cb 1.18 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 1j5n h GLN 75 CO 0.07 0.24 0.03 0.00 -0.67 0.00 0.00 178.83 178.50 1j5n h ALA 76 N 1.79 0.18 0.00 3.87 0.00 -1.13 -2.30 119.26 121.66 1j5n h ALA 76 Ca 0.05 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1j5n h ALA 76 Cb 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1j5n h ALA 76 CO 0.01 -0.17 -0.30 0.22 0.00 0.00 0.00 179.25 179.01 1j5n h ASP 77 N 0.01 0.00 -0.37 0.00 1.82 -0.63 -2.02 116.42 115.23 1j5n h ASP 77 Ca 0.04 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.68 1j5n h ASP 77 Cb 0.28 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.28 1j5n h ASP 77 CO 0.00 0.30 0.20 0.50 -1.61 0.00 0.00 179.24 178.64 1j5n h LYS 78 N 0.00 0.51 -0.31 0.28 3.11 0.14 -2.46 116.57 117.84 1j5n h LYS 78 Ca -0.00 -0.06 -0.09 0.00 -2.81 0.00 0.00 60.65 57.68 1j5n h LYS 78 Cb 0.80 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.92 1j5n h LYS 78 CO 0.04 0.42 -0.17 0.87 -2.81 0.00 0.00 179.45 177.79 1j5n h LYS 79 N 0.47 0.66 -0.87 1.90 1.57 -1.28 -0.84 116.57 118.18 1j5n h LYS 79 Ca 0.13 -0.30 0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1j5n h LYS 79 Cb 0.05 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.24 1j5n h LYS 79 CO -0.02 0.90 -0.48 -2.13 -0.57 0.00 0.00 179.45 177.14 1j5n n ARG 80 N -4.36 -0.35 0.03 3.15 3.00 -0.77 0.12 116.66 117.48 1j5n n ARG 80 Ca -0.03 1.31 -0.08 0.00 -0.00 0.00 0.00 57.85 59.06 1j5n n ARG 80 Cb 0.40 -1.94 0.09 0.00 0.00 0.00 0.00 32.46 31.01 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 -0.72 -0.14 5.03 -1.44 -2.94 116.97 117.31 1j5n h TYR 81 Ca 0.17 -0.20 0.21 0.00 2.58 0.00 0.00 58.73 61.49 1j5n h TYR 81 Cb 0.38 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.53 1j5n h TYR 81 CO -0.87 0.90 0.88 1.49 -1.32 0.00 0.00 178.16 179.24 1j5n h GLU 82 N 0.34 0.00 -0.02 1.82 4.81 0.25 0.87 114.58 122.64 1j5n h GLU 82 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 1j5n h GLU 82 Cb 1.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1j5n h GLU 82 CO 0.10 0.00 -0.21 0.77 -0.73 0.00 0.00 179.01 178.94 1j5n h SER 83 N 0.00 0.22 0.60 1.04 0.02 -1.05 -0.99 113.55 113.39 1j5n h SER 83 Ca 0.34 -0.71 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1j5n h SER 83 Cb 2.10 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.57 1j5n h SER 83 CO -0.00 0.90 0.00 -1.84 -1.14 0.00 0.00 176.83 174.75 1j5n n GLU 84 N -4.55 0.19 -0.06 3.45 0.28 0.28 -1.98 120.64 118.26 1j5n n GLU 84 Ca -0.09 0.47 -0.21 0.00 -0.16 0.00 0.00 57.16 57.16 1j5n n GLU 84 Cb 0.46 -1.90 -0.13 0.00 1.43 0.00 0.00 31.44 31.31 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 0.10 -0.76 3.44 2.10 -0.98 0.03 116.57 120.50 1j5n h LYS 85 Ca 0.00 -0.16 0.14 0.00 -2.00 0.00 0.00 60.65 58.62 1j5n h LYS 85 Cb 0.30 0.06 -0.05 0.00 -0.90 0.00 0.00 32.23 31.64 1j5n h LYS 85 CO 0.00 1.08 0.50 1.05 -2.00 0.00 0.00 179.45 180.08 1j5n h GLU 86 N -0.67 0.46 0.21 0.07 4.11 -0.96 -0.16 114.58 117.64 1j5n h GLU 86 Ca -0.33 -0.03 -0.32 0.00 0.07 0.00 0.00 59.36 58.75 1j5n h GLU 86 Cb 1.50 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 30.67 1j5n h GLU 86 CO -0.09 0.30 -1.52 1.25 0.07 0.00 0.00 179.01 179.03 1j5n h LEU 87 N 0.47 0.68 -0.82 3.06 6.46 -1.52 -1.61 115.31 122.04 1j5n h LEU 87 Ca 0.37 -0.93 0.31 0.00 -0.12 0.00 0.00 57.88 57.51 1j5n h LEU 87 Cb 0.76 -0.22 -0.15 0.00 -0.73 0.00 0.00 40.66 40.32 1j5n h LEU 87 CO -0.13 1.71 0.32 0.00 -0.62 0.00 0.00 178.44 179.72 1j5n n TYR 88 N -3.73 0.83 -0.04 1.25 9.36 -0.00 0.21 117.16 125.04 1j5n n TYR 88 Ca -0.21 0.97 -0.10 0.00 3.32 0.00 0.00 57.90 61.89 1j5n n TYR 88 Cb 1.05 -1.31 -0.14 0.00 -0.63 0.00 0.00 39.34 38.31 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 -4.95 0.83 -0.07 2.98 0.23 -0.83 -1.64 115.26 111.81 1j5n n ASN 89 Ca 0.28 0.31 0.00 0.00 -0.53 0.00 0.00 54.58 54.63 1j5n n ASN 89 Cb 0.93 0.07 0.00 0.00 -2.08 0.00 0.00 39.78 38.71 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 -2.64 2.40 0.00 -2.53 0.00 0.57 -1.86 120.51 116.44 1j5n n ALA 90 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 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 -0.42 0.00 0.08 0.00 5.66 0.25 -4.86 114.28 115.00 1j5n n THR 91 Ca 0.00 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 1j5n n THR 91 Cb 0.03 -0.07 0.03 0.00 -1.55 0.00 0.00 70.33 68.77 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 0.26 -0.03 1.09 8.10 -1.40 -3.51 115.31 119.83 1j5n h LEU 92 Ca 0.00 -0.19 0.00 0.00 0.11 0.00 0.00 57.88 57.80 1j5n h LEU 92 Cb 0.00 -0.08 0.00 0.00 -0.44 0.00 0.00 40.66 40.14 1j5n h LEU 92 CO 0.00 0.95 0.00 0.00 -4.11 0.00 0.00 178.44 175.28