#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 0.00-11.47 -3.94 2.03 0.31 -1.26 -5.07 118.33 98.93 1j5n n VAL 2 Ca 0.00 1.87 -0.10 0.00 -0.01 0.00 0.00 64.34 66.10 1j5n n VAL 2 Cb 0.00 -6.66 -0.11 0.00 -0.91 0.00 0.00 33.84 26.16 1j5n n VAL 2 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1j5n s THR 3 N -1.36 0.09 -0.71 2.52 -4.23 -1.26 -5.10 115.64 105.59 1j5n s THR 3 Ca -0.05 -0.71 -0.26 0.00 -1.18 0.00 0.00 61.69 59.50 1j5n s THR 3 Cb 0.00 -0.25 -0.03 0.00 1.34 0.00 0.00 72.50 73.56 1j5n s THR 3 CO 0.73 -0.39 1.90 -2.16 -0.54 0.00 0.00 174.62 174.16 1j5n s PRO 4 N -1.18 2.59 0.02 3.99 0.04 -1.26 -4.95 135.00 134.25 1j5n s PRO 4 Ca -0.13 0.30 0.04 0.00 0.04 0.00 0.00 61.00 61.26 1j5n s PRO 4 Cb -0.08 -4.63 -0.02 0.00 0.04 0.00 0.00 34.50 29.82 1j5n s PRO 4 CO -0.00 -2.97 -0.14 -0.98 0.04 0.00 0.00 177.00 172.95 1j5n s ARG 5 N 7.05 0.98 0.01 4.56 1.04 -1.26 -4.97 118.95 126.36 1j5n s ARG 5 Ca 0.69 -0.64 0.00 0.00 -1.04 0.00 0.00 55.73 54.73 1j5n s ARG 5 Cb -0.11 -0.97 0.00 0.00 -2.04 0.00 0.00 34.95 31.84 1j5n s ARG 5 CO 0.13 0.25 0.00 0.39 -0.04 0.00 0.00 175.30 176.03 1j5n n GLU 6 N 2.23 0.00 0.00 3.89 1.02 -1.26 -5.15 120.64 121.37 1j5n n GLU 6 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1j5n n GLU 6 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 1j5n n GLU 6 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1j5n n PRO 7 N -2.49 1.23 -3.70 3.49 -0.02 -1.26 -5.00 135.00 127.25 1j5n n PRO 7 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.26 1j5n n PRO 7 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.47 1j5n n PRO 7 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1j5n s LYS 8 N -0.46 3.41 -0.09 -0.52 1.02 -1.26 -5.02 119.74 116.82 1j5n s LYS 8 Ca 0.00 -0.64 0.12 0.00 0.02 0.00 0.00 55.97 55.48 1j5n s LYS 8 Cb 0.00 -2.80 0.22 0.00 -0.52 0.00 0.00 37.83 34.73 1j5n s LYS 8 CO 0.00 0.28 1.13 1.63 -0.92 0.00 0.00 175.35 177.47 1j5n n LYS 9 N -1.57 2.03 0.00 1.68 4.01 -1.26 -5.02 118.16 118.03 1j5n n LYS 9 Ca -0.07 -2.23 0.00 0.00 -0.51 0.00 0.00 58.31 55.50 1j5n n LYS 9 Cb 0.57 -1.36 0.00 0.00 -0.51 0.00 0.00 35.03 33.73 1j5n n LYS 9 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1j5n n ARG 10 N -0.98 0.00 -3.92 1.97 3.00 -1.26 -4.85 116.66 110.61 1j5n n ARG 10 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1j5n n ARG 10 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.99 1j5n n ARG 10 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1j5n n THR 11 N 0.00 0.00 -0.69 5.15 -2.24 -1.26 -5.09 114.28 110.15 1j5n n THR 11 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1j5n n THR 11 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 1j5n n THR 11 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1j5n n THR 12 N 8.32 0.00 -0.86 4.28 -1.04 -1.26 -4.73 114.28 118.99 1j5n n THR 12 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 1j5n n THR 12 Cb 0.00 -0.27 0.03 0.00 -1.82 0.00 0.00 70.33 68.27 1j5n n THR 12 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1j5n n ARG 13 N 4.11 0.00 0.00 -2.82 5.12 -1.26 -4.99 116.66 116.82 1j5n n ARG 13 Ca 0.30 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.22 1j5n n ARG 13 Cb -0.02 -0.86 0.00 0.00 -1.16 0.00 0.00 32.46 30.43 1j5n n ARG 13 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1j5n n LYS 14 N 2.14 2.91 0.00 5.56 4.76 -1.26 -5.11 118.16 127.15 1j5n n LYS 14 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1j5n n LYS 14 Cb 0.49 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.68 1j5n n LYS 14 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1j5n n LYS 15 N 0.00 0.00 -2.77 1.97 4.76 -1.26 -5.08 118.16 115.79 1j5n n LYS 15 Ca 0.00 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.43 1j5n n LYS 15 Cb 0.00 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1j5n n LYS 15 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1j5n n LYS 16 N 0.00 -3.26 0.00 1.97 0.00 -1.26 -5.05 118.16 110.56 1j5n n LYS 16 Ca 0.00 2.64 0.00 0.00 0.00 0.00 0.00 58.31 60.95 1j5n n LYS 16 Cb 0.00 -4.85 0.00 0.00 0.00 0.00 0.00 35.03 30.18 1j5n n LYS 16 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1j5n n ASP 17 N 0.89 0.00 0.32 3.14 9.92 -1.26 -4.93 116.55 124.63 1j5n n ASP 17 Ca -0.04 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 54.05 1j5n n ASP 17 Cb 0.12 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.51 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 -0.74 0.00 -0.24 0.13 -1.97 -3.38 132.00 125.79 1j5n h PRO 18 Ca 0.00 0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 65.08 1j5n h PRO 18 Cb 0.00 0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.28 1j5n h PRO 18 CO 0.00 -0.48 -1.38 0.09 -0.23 0.00 0.00 178.00 176.00 1j5n n ASN 19 N -5.40 3.59 -2.68 1.44 3.02 -1.26 -5.06 115.26 108.91 1j5n n ASN 19 Ca -0.12 -0.01 -0.01 0.00 -0.03 0.00 0.00 54.58 54.40 1j5n n ASN 19 Cb 0.33 0.43 -0.01 0.00 -0.61 0.00 0.00 39.78 39.92 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 -2.34 -3.53 0.39 5.41 0.00 -1.26 -4.95 120.51 114.23 1j5n n ALA 20 Ca -0.10 0.82 -0.17 0.00 0.00 0.00 0.00 53.44 53.99 1j5n n ALA 20 Cb 0.67 -1.63 -0.09 0.00 0.00 0.00 0.00 19.45 18.40 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 3.18 -0.96 0.00 0.00 0.13 -1.96 -3.49 132.00 128.90 1j5n h PRO 21 Ca -0.10 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1j5n h PRO 21 Cb 0.22 0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.57 1j5n h PRO 21 CO 0.08 -0.62 0.00 1.63 -0.23 0.00 0.00 178.00 178.86 1j5n n LYS 22 N -5.48 0.00 -0.70 0.86 5.02 -1.26 -4.93 118.16 111.67 1j5n n LYS 22 Ca -0.14 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.91 1j5n n LYS 22 Cb 0.41 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.44 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 0.00 0.00 -0.89 1.97 1.85 -1.26 -4.86 116.66 113.47 1j5n n ARG 23 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.67 1j5n n ARG 23 Cb 0.00 -0.67 0.14 0.00 -1.05 0.00 0.00 32.46 30.88 1j5n n ARG 23 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1j5n n ALA 24 N -1.57 -1.58 -1.02 2.89 0.00 -1.26 -4.98 120.51 113.00 1j5n n ALA 24 Ca -0.00 -1.04 -0.01 0.00 0.00 0.00 0.00 53.44 52.39 1j5n n ALA 24 Cb 0.37 -0.06 0.01 0.00 0.00 0.00 0.00 19.45 19.76 1j5n n ALA 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1j5n n LEU 25 N 0.00 0.00 -4.44 0.00 4.32 -1.26 -4.90 117.00 110.72 1j5n n LEU 25 Ca 0.10 -0.05 -0.22 0.00 -0.02 0.00 0.00 56.01 55.82 1j5n n LEU 25 Cb 0.36 -0.04 -0.10 0.00 -1.62 0.00 0.00 43.42 42.02 1j5n n LEU 25 CO 0.26 -0.84 -0.37 -0.55 -1.22 0.00 0.00 177.39 174.67 1j5n s SER 26 N -1.44 2.86 0.58 -1.43 0.15 -1.26 -4.66 113.70 108.50 1j5n s SER 26 Ca 0.03 -1.18 0.29 0.00 0.70 0.00 0.00 55.95 55.78 1j5n s SER 26 Cb -0.00 -0.19 1.50 0.00 -1.71 0.00 0.00 66.02 65.62 1j5n s SER 26 CO 0.02 -0.31 1.94 0.00 1.20 0.00 0.00 173.24 176.08 1j5n h ALA 27 N 2.27 2.19 -0.02 5.45 0.00 -1.86 0.12 119.26 127.42 1j5n h ALA 27 Ca -0.40 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.30 1j5n h ALA 27 Cb 1.24 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1j5n h ALA 27 CO 0.67 -0.67 -0.83 -0.92 0.00 0.00 0.00 179.25 177.51 1j5n h TYR 28 N 0.00 0.34 0.04 0.00 5.03 -1.95 -2.38 116.97 118.06 1j5n h TYR 28 Ca 0.21 -0.18 -0.27 0.00 2.58 0.00 0.00 58.73 61.08 1j5n h TYR 28 Cb 1.09 -0.04 0.02 0.00 1.55 0.00 0.00 36.73 39.34 1j5n h TYR 28 CO 0.00 0.96 -1.09 0.52 -1.32 0.00 0.00 178.16 177.23 1j5n h MET 29 N 0.14 0.58 0.05 1.82 0.00 -1.16 0.14 114.93 116.50 1j5n h MET 29 Ca -0.04 -0.68 -0.00 0.00 0.00 0.00 0.00 59.70 58.98 1j5n h MET 29 Cb 1.43 0.21 0.00 0.00 0.00 0.00 0.00 31.60 33.24 1j5n h MET 29 CO 0.13 1.28 -0.02 0.74 0.00 0.00 0.00 176.91 179.03 1j5n h PHE 30 N 0.30 -0.06 0.28 -0.22 0.04 -1.52 -1.09 116.94 114.68 1j5n h PHE 30 Ca -0.13 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.62 1j5n h PHE 30 Cb 1.75 0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.92 1j5n h PHE 30 CO 0.09 0.35 -0.14 0.35 -0.60 0.00 0.00 178.31 178.36 1j5n h PHE 31 N -0.48 -0.35 -0.79 -0.55 3.04 -1.52 -2.66 116.94 113.63 1j5n h PHE 31 Ca -0.01 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.05 1j5n h PHE 31 Cb 0.43 0.12 -0.12 0.00 2.56 0.00 0.00 35.95 38.93 1j5n h PHE 31 CO 0.06 -0.22 -0.34 0.00 -2.02 0.00 0.00 178.31 175.80 1j5n n ALA 32 N -2.21 -0.17 -0.26 2.41 0.00 0.50 0.15 120.51 120.93 1j5n n ALA 32 Ca -0.05 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.17 1j5n n ALA 32 Cb 0.15 -0.31 0.07 0.00 0.00 0.00 0.00 19.45 19.36 1j5n n ALA 32 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1j5n h ASN 33 N 0.00 -0.85 0.85 0.00 2.35 -1.12 0.81 115.58 117.61 1j5n h ASN 33 Ca 0.25 0.24 -0.04 0.00 -0.55 0.00 0.00 56.30 56.20 1j5n h ASN 33 Cb 0.45 0.52 0.01 0.00 0.05 0.00 0.00 38.32 39.34 1j5n h ASN 33 CO -0.78 -0.27 -0.41 -0.33 -1.65 0.00 0.00 177.43 174.00 1j5n h GLU 34 N -0.03 -1.10 0.00 0.81 5.08 0.17 -2.85 114.58 116.66 1j5n h GLU 34 Ca 0.35 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1j5n h GLU 34 Cb 0.57 0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1j5n h GLU 34 CO -0.79 -0.72 0.00 0.09 -1.00 0.00 0.00 179.01 176.59 1j5n n ASN 35 N -5.54 0.00 -0.07 1.42 3.02 -0.53 -2.32 115.26 111.24 1j5n n ASN 35 Ca -0.15 -0.69 -0.14 0.00 -0.03 0.00 0.00 54.58 53.58 1j5n n ASN 35 Cb 0.45 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.50 1j5n n ASN 35 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1j5n h ARG 36 N 0.00 -0.00 -0.12 3.52 2.47 0.86 0.10 114.38 121.22 1j5n h ARG 36 Ca 0.00 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.56 1j5n h ARG 36 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1j5n h ARG 36 CO 0.00 0.97 -0.62 -0.44 0.56 0.00 0.00 179.97 180.44 1j5n h ASP 37 N -1.00 0.47 0.00 7.04 3.32 -1.50 -2.04 116.42 122.71 1j5n h ASP 37 Ca -0.00 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1j5n h ASP 37 Cb 0.97 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1j5n h ASP 37 CO 0.00 0.97 0.00 -0.38 -1.72 0.00 0.00 179.24 178.11 1j5n n ILE 38 N -3.90 0.00 -0.27 0.35 -0.00 -0.98 -0.63 119.36 113.93 1j5n n ILE 38 Ca -0.03 0.97 -0.05 0.00 -0.00 0.00 0.00 62.75 63.63 1j5n n ILE 38 Cb 0.64 -1.92 -0.00 0.00 -0.00 0.00 0.00 39.64 38.36 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 0.08 -0.20 1.39 2.07 -0.91 0.57 116.25 119.25 1j5n h VAL 39 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1j5n h VAL 39 Cb 0.00 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1j5n h VAL 39 CO 0.00 0.00 -0.02 -0.09 0.02 0.00 0.00 177.57 177.48 1j5n h ARG 40 N -0.13 0.30 0.00 1.57 2.43 -1.50 0.19 114.38 117.25 1j5n h ARG 40 Ca 0.24 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1j5n h ARG 40 Cb 0.56 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1j5n h ARG 40 CO -0.79 0.35 -0.06 0.77 -1.51 0.00 0.00 179.97 178.72 1j5n h SER 41 N 0.29 0.00 0.00 -3.80 0.02 0.25 0.82 113.55 111.13 1j5n h SER 41 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1j5n h SER 41 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1j5n h SER 41 CO 0.01 0.06 -0.86 -0.62 -1.14 0.00 0.00 176.83 174.28 1j5n n GLU 42 N -3.46 1.29 -3.09 3.45 1.02 -0.23 -4.61 120.64 115.01 1j5n n GLU 42 Ca -0.02 -0.01 -0.16 0.00 -0.02 0.00 0.00 57.16 56.95 1j5n n GLU 42 Cb 0.20 -1.32 -0.02 0.00 -0.02 0.00 0.00 31.44 30.28 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 -1.44 0.89 0.00 1.62 3.02 0.50 -4.92 115.26 114.93 1j5n n ASN 43 Ca 0.03 -2.96 0.05 0.00 -0.03 0.00 0.00 54.58 51.66 1j5n n ASN 43 Cb 0.28 -0.56 0.25 0.00 -0.61 0.00 0.00 39.78 39.13 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 0.22 0.18 -0.10 3.52 -0.02 0.17 -3.25 135.00 135.72 1j5n n PRO 44 Ca 0.22 0.14 -0.20 0.00 -2.02 0.00 0.00 63.50 61.64 1j5n n PRO 44 Cb 0.69 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.60 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 -1.20 1.63 -0.24 2.55 8.00 -1.26 -4.60 116.55 121.43 1j5n n ASP 45 Ca 0.05 0.28 0.12 0.00 0.71 0.00 0.00 54.79 55.95 1j5n n ASP 45 Cb 0.06 -0.66 0.23 0.00 -0.02 0.00 0.00 41.12 40.73 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 -4.07 -0.29 0.00 0.53 -5.35 -1.20 -4.87 119.36 104.10 1j5n n ILE 46 Ca -0.36 1.50 0.00 0.00 -0.27 0.00 0.00 62.75 63.62 1j5n n ILE 46 Cb 0.71 -2.22 0.00 0.00 -1.74 0.00 0.00 39.64 36.40 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 -4.88 0.00 0.00 7.28 -1.04 -1.26 -4.55 114.28 109.83 1j5n n THR 47 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1j5n n THR 47 Cb 0.57 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 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 1.25 0.00 -0.05 -1.42 7.35 -1.26 -1.20 117.46 122.14 1j5n n PHE 48 Ca 0.00 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.73 1j5n n PHE 48 Cb 0.00 0.00 0.08 0.00 0.35 0.00 0.00 39.48 39.91 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 -0.13 0.32 7.13 0.00 -1.26 0.27 105.19 111.51 1j5n n GLY 49 Ca 0.00 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.71 -0.06 1.61 1.08 -1.39 -0.28 115.11 115.36 1j5n h GLN 50 Ca 0.12 0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 1j5n h GLN 50 Cb 0.31 0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1j5n h GLN 50 CO -0.12 -0.41 0.01 -0.24 -0.95 0.00 0.00 178.83 177.12 1j5n h VAL 51 N -1.06 1.19 0.55 -0.54 3.04 0.47 -0.18 116.25 119.71 1j5n h VAL 51 Ca -0.08 -0.58 -0.03 0.00 -1.01 0.00 0.00 66.70 65.01 1j5n h VAL 51 Cb 0.63 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 1j5n h VAL 51 CO 0.12 0.16 -0.27 1.23 -1.01 0.00 0.00 177.57 177.80 1j5n h GLY 52 N -0.13 -0.81 0.85 3.17 0.00 -0.54 0.30 103.07 105.92 1j5n h GLY 52 Ca 0.02 0.30 0.07 0.00 0.00 0.00 0.00 47.33 47.72 1j5n h GLY 52 CO 0.00 -0.29 0.57 0.50 0.00 0.00 0.00 176.54 177.32 1j5n h LYS 53 N -0.75 0.93 0.00 4.80 1.57 -1.15 0.13 116.57 122.10 1j5n h LYS 53 Ca -0.08 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 1j5n h LYS 53 Cb 0.58 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1j5n h LYS 53 CO 0.12 0.61 -0.23 -0.22 -0.57 0.00 0.00 179.45 179.16 1j5n h LYS 54 N 0.96 0.00 -0.09 3.15 1.63 -0.93 -2.42 116.57 118.87 1j5n h LYS 54 Ca 0.38 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.99 1j5n h LYS 54 Cb 0.25 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1j5n h LYS 54 CO -0.15 0.23 -0.75 -0.07 -3.45 0.00 0.00 179.45 175.27 1j5n h LEU 55 N 0.00 0.56 0.31 5.20 3.38 0.23 -0.69 115.31 124.30 1j5n h LEU 55 Ca -0.00 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1j5n h LEU 55 Cb 0.57 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1j5n h LEU 55 CO 0.03 1.13 -0.15 1.23 0.09 0.00 0.00 178.44 180.77 1j5n h GLY 56 N 1.16 -0.43 0.94 0.83 0.00 -0.89 0.40 103.07 105.08 1j5n h GLY 56 Ca -0.04 0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 1j5n h GLY 56 CO 0.13 -0.16 -0.26 1.05 0.00 0.00 0.00 176.54 177.31 1j5n h GLU 57 N -0.73 -0.70 -0.13 4.80 4.11 -1.54 -2.20 114.58 118.18 1j5n h GLU 57 Ca -0.04 0.05 0.04 0.00 0.07 0.00 0.00 59.36 59.47 1j5n h GLU 57 Cb 0.49 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1j5n h GLU 57 CO 0.07 -0.43 0.12 0.87 0.07 0.00 0.00 179.01 179.71 1j5n h LYS 58 N -0.80 0.00 0.36 1.06 1.79 -1.20 0.31 116.57 118.09 1j5n h LYS 58 Ca -0.07 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 1j5n h LYS 58 Cb 0.59 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1j5n h LYS 58 CO 0.12 0.00 -0.17 2.35 -1.08 0.00 0.00 179.45 180.67 1j5n h TRP 59 N 0.00 -0.45 -0.06 -1.35 -0.00 0.41 -2.33 115.95 112.17 1j5n h TRP 59 Ca 0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.94 1j5n h TRP 59 Cb 0.31 0.15 0.00 0.00 -0.00 0.00 0.00 29.16 29.62 1j5n h TRP 59 CO 0.00 -0.20 0.00 1.63 -0.00 0.00 0.00 178.44 179.87 1j5n n LYS 60 N -5.25 1.56 0.05 2.65 5.02 -0.85 -3.86 118.16 117.49 1j5n n LYS 60 Ca -0.10 -0.83 -0.22 0.00 -2.02 0.00 0.00 58.31 55.13 1j5n n LYS 60 Cb 0.24 -1.44 -0.14 0.00 -0.02 0.00 0.00 35.03 33.66 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 4.16 0.17 -0.12 7.82 0.00 -0.11 -3.39 119.26 127.80 1j5n h ALA 61 Ca 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 54.91 53.79 1j5n h ALA 61 Cb 0.40 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1j5n h ALA 61 CO 0.00 0.96 -0.18 -0.07 0.00 0.00 0.00 179.25 179.96 1j5n h LEU 62 N -0.04 -0.59 0.00 0.00 3.38 -1.53 -3.49 115.31 113.05 1j5n h LEU 62 Ca -0.33 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1j5n h LEU 62 Cb 1.98 0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.97 1j5n h LEU 62 CO 0.13 -0.13 0.00 0.41 0.09 0.00 0.00 178.44 178.94 1j5n n THR 63 N -3.54 0.00 -0.35 0.22 -1.04 -1.26 -4.80 114.28 103.50 1j5n n THR 63 Ca -0.01 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.07 1j5n n THR 63 Cb 0.11 0.00 0.16 0.00 -1.82 0.00 0.00 70.33 68.78 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 -1.86 -0.09 -0.14 -2.82 -0.02 -1.26 0.43 135.00 129.24 1j5n n PRO 64 Ca 0.00 1.52 -0.04 0.00 -2.02 0.00 0.00 63.50 62.97 1j5n n PRO 64 Cb 0.00 -2.30 0.05 0.00 -0.02 0.00 0.00 33.50 31.24 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 0.26 -0.03 -0.52 3.07 -2.00 0.19 114.58 115.55 1j5n h GLU 65 Ca 0.49 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.34 1j5n h GLU 65 Cb 0.79 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.64 1j5n h GLU 65 CO -1.00 0.17 0.02 0.93 -1.40 0.00 0.00 179.01 177.74 1j5n h GLU 66 N 0.27 0.00 0.00 2.33 4.39 -0.34 0.10 114.58 121.32 1j5n h GLU 66 Ca 0.22 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.85 1j5n h GLU 66 Cb 0.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1j5n h GLU 66 CO -0.27 0.00 -0.44 0.87 -1.16 0.00 0.00 179.01 178.01 1j5n h LYS 67 N 0.00 0.00 -0.59 2.33 1.57 0.37 -3.37 116.57 116.88 1j5n h LYS 67 Ca 0.01 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.90 1j5n h LYS 67 Cb 0.06 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.26 1j5n h LYS 67 CO -0.00 0.34 -0.17 1.04 -0.57 0.00 0.00 179.45 180.09 1j5n n GLN 68 N -3.15 -0.07 0.14 3.15 6.02 0.02 0.59 117.38 124.08 1j5n n GLN 68 Ca 0.02 0.92 -0.14 0.00 -0.01 0.00 0.00 57.00 57.79 1j5n n GLN 68 Cb 0.68 -1.38 -0.07 0.00 1.02 0.00 0.00 30.24 30.50 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 -1.77 -0.46 132.00 128.19 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 0.41 0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1j5n h PRO 69 CO -0.61 -0.41 -0.08 1.88 -0.21 0.00 0.00 178.00 178.58 1j5n h TYR 70 N -0.63 0.00 -0.98 0.65 -1.99 -0.48 -1.78 116.97 111.76 1j5n h TYR 70 Ca 0.01 0.00 0.21 0.00 2.00 0.00 0.00 58.73 60.96 1j5n h TYR 70 Cb 0.64 0.00 -0.19 0.00 2.00 0.00 0.00 36.73 39.18 1j5n h TYR 70 CO -0.30 0.00 -0.19 1.49 -0.00 0.00 0.00 178.16 179.16 1j5n h GLU 71 N -0.89 0.00 -0.72 4.88 4.81 0.02 3.34 114.58 126.02 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 0.08 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1j5n h GLU 71 CO 0.00 0.00 0.40 0.00 -0.73 0.00 0.00 179.01 178.68 1j5n h ALA 72 N 1.98 0.92 0.00 2.92 0.00 -1.16 0.44 119.26 124.37 1j5n h ALA 72 Ca 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1j5n h ALA 72 Cb 0.81 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1j5n h ALA 72 CO -0.99 0.43 0.00 1.17 0.00 0.00 0.00 179.25 179.86 1j5n n LYS 73 N -4.48 0.14 0.08 0.00 4.81 1.00 -1.08 118.16 118.62 1j5n n LYS 73 Ca 0.06 0.61 -0.22 0.00 -0.87 0.00 0.00 58.31 57.89 1j5n n LYS 73 Cb 0.09 -1.93 -0.15 0.00 0.02 0.00 0.00 35.03 33.05 1j5n n LYS 73 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1j5n h ALA 74 N 2.03 -0.10 0.00 3.14 0.00 0.66 -1.56 119.26 123.43 1j5n h ALA 74 Ca 0.00 -0.77 -0.06 0.00 0.00 0.00 0.00 54.91 54.07 1j5n h ALA 74 Cb 0.05 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1j5n h ALA 74 CO 0.00 0.51 -0.30 1.96 0.00 0.00 0.00 179.25 181.42 1j5n h GLN 75 N -0.19 0.00 -0.08 0.00 4.20 -0.57 0.33 115.11 118.80 1j5n h GLN 75 Ca -0.19 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.49 1j5n h GLN 75 Cb 1.83 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.61 1j5n h GLN 75 CO 0.19 0.30 -0.08 0.00 -0.67 0.00 0.00 178.83 178.57 1j5n h ALA 76 N 1.70 0.12 -0.15 3.87 0.00 -1.08 -2.33 119.26 121.39 1j5n h ALA 76 Ca -0.00 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 1j5n h ALA 76 Cb 0.63 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1j5n h ALA 76 CO 0.04 -0.07 -0.59 0.22 0.00 0.00 0.00 179.25 178.85 1j5n h ASP 77 N -0.22 0.55 -0.56 0.00 3.58 -1.07 -1.70 116.42 117.00 1j5n h ASP 77 Ca 0.01 -0.31 0.07 0.00 0.42 0.00 0.00 57.03 57.23 1j5n h ASP 77 Cb 0.58 -0.16 -0.06 0.00 1.72 0.00 0.00 39.33 41.41 1j5n h ASP 77 CO 0.02 1.02 0.23 0.50 -2.88 0.00 0.00 179.24 178.13 1j5n h LYS 78 N 0.37 0.42 -0.37 0.28 3.11 -0.33 -1.07 116.57 118.97 1j5n h LYS 78 Ca -0.00 -0.03 -0.08 0.00 -2.81 0.00 0.00 60.65 57.73 1j5n h LYS 78 Cb 1.13 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.26 1j5n h LYS 78 CO 0.11 0.28 -0.09 0.87 -2.81 0.00 0.00 179.45 177.81 1j5n h LYS 79 N 0.43 0.72 -0.79 1.90 1.57 -1.34 0.71 116.57 119.77 1j5n h LYS 79 Ca 0.27 -0.27 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1j5n h LYS 79 Cb 0.27 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.45 1j5n h LYS 79 CO -0.24 0.87 -0.46 -2.13 -0.57 0.00 0.00 179.45 176.91 1j5n n ARG 80 N -4.38 -0.35 0.08 3.15 0.00 -0.44 0.88 116.66 115.60 1j5n n ARG 80 Ca -0.02 1.19 -0.06 0.00 -0.00 0.00 0.00 57.85 58.96 1j5n n ARG 80 Cb 0.35 -1.75 -0.05 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 0.05 -1.62 -0.14 5.03 -1.43 -3.25 116.97 115.61 1j5n h TYR 81 Ca 0.13 -0.03 0.51 0.00 2.58 0.00 0.00 58.73 61.91 1j5n h TYR 81 Cb 0.32 -0.00 -0.11 0.00 1.55 0.00 0.00 36.73 38.49 1j5n h TYR 81 CO -0.81 0.93 1.11 1.49 -1.32 0.00 0.00 178.16 179.56 1j5n h GLU 82 N 0.01 0.02 0.13 1.82 4.81 0.30 1.59 114.58 123.25 1j5n h GLU 82 Ca -0.02 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1j5n h GLU 82 Cb 1.61 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.99 1j5n h GLU 82 CO 0.12 0.01 -0.06 0.66 -0.73 0.00 0.00 179.01 179.02 1j5n h SER 83 N 0.02 -0.14 -0.61 1.04 4.64 -1.41 -1.20 113.55 115.89 1j5n h SER 83 Ca 0.88 -0.31 0.18 0.00 -0.47 0.00 0.00 61.79 62.06 1j5n h SER 83 Cb 3.17 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 65.27 1j5n h SER 83 CO -0.24 0.26 0.55 -0.08 -0.87 0.00 0.00 176.83 176.45 1j5n h GLU 84 N -0.57 0.00 0.17 4.77 4.57 0.20 0.51 114.58 124.23 1j5n h GLU 84 Ca -0.02 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.87 1j5n h GLU 84 Cb 0.45 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.06 1j5n h GLU 84 CO 0.03 0.00 -1.31 1.57 -1.18 0.00 0.00 179.01 178.12 1j5n h LYS 85 N 0.00 0.38 -0.70 1.92 5.09 -0.75 -0.73 116.57 121.78 1j5n h LYS 85 Ca 0.29 -0.63 0.11 0.00 0.09 0.00 0.00 60.65 60.51 1j5n h LYS 85 Cb 1.38 0.23 -0.05 0.00 0.10 0.00 0.00 32.23 33.90 1j5n h LYS 85 CO -0.00 1.30 0.46 1.05 -2.09 0.00 0.00 179.45 180.17 1j5n h GLU 86 N 0.11 0.51 0.23 0.07 4.11 0.12 -0.44 114.58 119.30 1j5n h GLU 86 Ca -0.17 -0.03 -0.33 0.00 0.07 0.00 0.00 59.36 58.89 1j5n h GLU 86 Cb 2.02 -0.12 0.03 0.00 0.50 0.00 0.00 28.75 31.19 1j5n h GLU 86 CO 0.23 0.34 -1.52 1.25 0.07 0.00 0.00 179.01 179.37 1j5n h LEU 87 N 0.53 0.76 -0.94 3.06 6.46 -1.38 -1.34 115.31 122.46 1j5n h LEU 87 Ca 0.33 -0.93 0.39 0.00 -0.12 0.00 0.00 57.88 57.55 1j5n h LEU 87 Cb 0.56 -0.25 -0.17 0.00 -0.73 0.00 0.00 40.66 40.07 1j5n h LEU 87 CO -0.11 1.72 0.48 0.00 -0.62 0.00 0.00 178.44 179.91 1j5n n TYR 88 N -3.71 1.07 -0.04 1.25 9.36 -0.24 0.17 117.16 125.03 1j5n n TYR 88 Ca -0.19 1.11 -0.07 0.00 3.32 0.00 0.00 57.90 62.07 1j5n n TYR 88 Cb 1.08 -1.50 -0.14 0.00 -0.63 0.00 0.00 39.34 38.15 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 -5.15 0.57 0.00 2.98 0.23 -0.82 -1.69 115.26 111.39 1j5n n ASN 89 Ca 0.35 0.27 0.06 0.00 -0.53 0.00 0.00 54.58 54.72 1j5n n ASN 89 Cb 1.19 0.37 0.33 0.00 -2.08 0.00 0.00 39.78 39.59 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 -2.58 2.42 0.00 -2.53 0.00 0.46 -1.71 120.51 116.57 1j5n n ALA 90 Ca -0.20 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1j5n n ALA 90 Cb 1.04 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 -0.70 0.00 0.09 0.00 5.66 0.25 -4.83 114.28 114.74 1j5n n THR 91 Ca 0.08 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.03 1j5n n THR 91 Cb 0.04 -0.33 0.09 0.00 -1.55 0.00 0.00 70.33 68.58 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 0.21 0.00 1.09 8.10 -1.42 -3.51 115.31 119.79 1j5n h LEU 92 Ca 0.00 -0.14 0.00 0.00 0.11 0.00 0.00 57.88 57.85 1j5n h LEU 92 Cb 0.21 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 40.36 1j5n h LEU 92 CO 0.00 0.83 0.00 0.00 -4.11 0.00 0.00 178.44 175.16