#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9n n ARG 19 N 0.00 3.05 -0.82 0.00 5.12 -1.26 -4.94 116.66 117.80 1n9n n ARG 19 Ca 0.00 -2.22 -0.29 0.00 -1.93 0.00 0.00 57.85 53.41 1n9n n ARG 19 Cb 0.00 -1.97 0.21 0.00 -1.16 0.00 0.00 32.46 29.54 1n9n n ARG 19 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 1n9n s HIS 20 N -2.31 1.72 0.33 -1.55 -3.43 -1.26 -4.82 115.29 103.97 1n9n s HIS 20 Ca 0.40 1.20 0.06 0.00 -0.80 0.00 0.00 55.06 55.92 1n9n s HIS 20 Cb 0.32 -3.17 -0.07 0.00 -1.43 0.00 0.00 32.58 28.23 1n9n s HIS 20 CO 0.10 -3.30 0.00 0.95 -2.00 0.00 0.00 174.74 170.49 1n9n s THR 21 N -2.68 1.57 -0.03 -5.38 -4.23 0.46 -4.86 115.64 100.48 1n9n s THR 21 Ca 0.67 -2.05 -0.03 0.00 -1.18 0.00 0.00 61.69 59.10 1n9n s THR 21 Cb -0.22 -2.71 0.01 0.00 1.34 0.00 0.00 72.50 70.92 1n9n s THR 21 CO 0.61 -0.11 0.08 0.12 -0.54 0.00 0.00 174.62 174.78 1n9n s PHE 22 N -3.04 -0.09 0.13 3.99 5.36 -1.26 -1.44 117.98 121.63 1n9n s PHE 22 Ca 0.34 0.22 -0.03 0.00 -0.96 0.00 0.00 56.93 56.50 1n9n s PHE 22 Cb 0.07 0.02 -0.03 0.00 -0.34 0.00 0.00 43.02 42.74 1n9n s PHE 22 CO 0.15 -0.05 0.10 0.14 -1.46 0.00 0.00 175.22 174.10 1n9n s VAL 23 N 0.08 0.10 -0.05 3.12 -7.23 -0.82 0.05 120.40 115.66 1n9n s VAL 23 Ca -0.00 -1.78 0.02 0.00 -1.81 0.00 0.00 61.98 58.40 1n9n s VAL 23 Cb -0.01 -1.95 0.02 0.00 0.56 0.00 0.00 36.38 34.99 1n9n s VAL 23 CO -0.00 -0.47 -0.08 -0.69 -0.31 0.00 0.00 175.10 173.54 1n9n s VAL 24 N -4.02 0.81 -0.02 1.32 1.01 0.05 -1.89 120.40 117.66 1n9n s VAL 24 Ca 0.21 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1n9n s VAL 24 Cb 0.07 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 1n9n s VAL 24 CO 0.00 0.28 -0.09 0.00 0.00 0.00 0.00 175.10 175.30 1n9n s ALA 25 N 0.71 2.93 -0.48 5.51 0.00 0.12 -0.69 121.76 129.85 1n9n s ALA 25 Ca -0.12 -1.00 -0.22 0.00 0.00 0.00 0.00 51.96 50.62 1n9n s ALA 25 Cb -0.14 -1.10 0.04 0.00 0.00 0.00 0.00 23.12 21.91 1n9n s ALA 25 CO 0.02 0.59 0.76 0.34 0.00 0.00 0.00 175.76 177.47 1n9n s ASP 26 N -1.18 6.33 0.00 0.00 -1.08 0.15 -1.05 116.67 119.85 1n9n s ASP 26 Ca 0.15 -0.39 0.30 0.00 -0.52 0.00 0.00 52.55 52.09 1n9n s ASP 26 Cb -0.11 -2.36 1.67 0.00 -1.46 0.00 0.00 42.92 40.66 1n9n s ASP 26 CO 0.05 -0.96 2.10 0.00 0.52 0.00 0.00 175.17 176.88 1n9n n ALA 27 N 6.70 2.55 0.60 3.66 0.00 -0.15 -2.83 120.51 131.03 1n9n n ALA 27 Ca -0.01 -0.17 0.13 0.00 0.00 0.00 0.00 53.44 53.40 1n9n n ALA 27 Cb 0.47 -1.49 0.33 0.00 0.00 0.00 0.00 19.45 18.76 1n9n n ALA 27 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n9n n THR 28 N -1.14 0.54 -3.92 0.00 -2.24 -1.21 -4.68 114.28 101.62 1n9n n THR 28 Ca 0.19 -0.29 -0.36 0.00 -2.27 0.00 0.00 64.05 61.32 1n9n n THR 28 Cb 0.17 -0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 67.89 1n9n n THR 28 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1n9n s LEU 29 N -4.47 4.32 0.30 3.22 1.43 -1.13 -5.02 118.68 117.32 1n9n s LEU 29 Ca 0.09 0.42 0.06 0.00 -1.03 0.00 0.00 54.13 53.67 1n9n s LEU 29 Cb 0.12 -2.15 0.77 0.00 0.03 0.00 0.00 46.19 44.97 1n9n s LEU 29 CO 0.63 0.38 1.72 1.55 0.23 0.00 0.00 176.35 180.86 1n9n h PRO 30 N 4.77 0.49 -0.77 1.29 0.13 -1.86 -2.87 132.00 133.19 1n9n h PRO 30 Ca -0.54 -0.03 -0.27 0.00 -0.87 0.00 0.00 66.00 64.30 1n9n h PRO 30 Cb 1.22 -0.11 -0.16 0.00 0.13 0.00 0.00 31.00 32.08 1n9n h PRO 30 CO 0.60 0.33 0.33 -3.47 -0.23 0.00 0.00 178.00 175.55 1n9n n ASP 31 N -4.95 4.53 -4.15 1.44 2.03 -1.26 -4.97 116.55 109.22 1n9n n ASP 31 Ca 0.24 -3.32 -0.41 0.00 0.52 0.00 0.00 54.79 51.81 1n9n n ASP 31 Cb 0.67 -0.76 -0.02 0.00 -0.72 0.00 0.00 41.12 40.29 1n9n n ASP 31 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1n9n s PRO 33 N -7.40 2.82 0.15 0.00 0.04 -1.25 -4.49 135.00 124.87 1n9n s PRO 33 Ca 0.33 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.60 1n9n s PRO 33 Cb -0.19 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 1n9n s PRO 33 CO 0.96 -1.26 1.01 -0.51 0.04 0.00 0.00 177.00 177.25 1n9n s LEU 34 N -4.63 4.51 0.00 -3.56 1.43 -0.47 -0.67 118.68 115.29 1n9n s LEU 34 Ca 0.70 1.93 0.04 0.00 -1.03 0.00 0.00 54.13 55.77 1n9n s LEU 34 Cb -0.23 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.36 1n9n s LEU 34 CO 0.38 -0.11 0.24 1.33 0.23 0.00 0.00 176.35 178.42 1n9n n VAL 35 N 2.51 0.00 -3.60 -1.59 0.24 0.13 -0.43 118.33 115.59 1n9n n VAL 35 Ca 0.02 -0.42 -0.15 0.00 -2.04 0.00 0.00 64.34 61.75 1n9n n VAL 35 Cb 0.48 1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 33.79 1n9n n VAL 35 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1n9n s TYR 36 N -1.23 -0.71 -0.10 6.34 5.04 -1.18 -4.98 117.35 120.53 1n9n s TYR 36 Ca 0.02 1.56 -0.07 0.00 -2.44 0.00 0.00 57.07 56.13 1n9n s TYR 36 Cb 0.03 0.31 0.03 0.00 0.35 0.00 0.00 41.96 42.68 1n9n s TYR 36 CO 0.15 -0.45 0.25 0.00 -1.34 0.00 0.00 175.55 174.16 1n9n s ALA 37 N -0.22 -0.60 0.85 3.97 0.00 -1.26 -0.77 121.76 123.72 1n9n s ALA 37 Ca -0.04 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 52.64 1n9n s ALA 37 Cb -0.03 -0.50 0.11 0.00 0.00 0.00 0.00 23.12 22.69 1n9n s ALA 37 CO 0.04 -0.15 1.11 -1.54 0.00 0.00 0.00 175.76 175.22 1n9n s SER 38 N 0.57 3.70 0.27 0.00 1.04 0.11 -4.89 113.70 114.50 1n9n s SER 38 Ca -0.04 1.87 -0.00 0.00 0.48 0.00 0.00 55.95 58.26 1n9n s SER 38 Cb -0.05 -2.47 0.56 0.00 0.10 0.00 0.00 66.02 64.16 1n9n s SER 38 CO -0.03 -2.55 1.75 -0.08 0.98 0.00 0.00 173.24 173.30 1n9n h GLU 39 N -1.49 0.56 -0.61 4.02 4.81 -1.99 -1.85 114.58 118.03 1n9n h GLU 39 Ca -0.45 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1n9n h GLU 39 Cb 1.25 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 1n9n h GLU 39 CO 0.49 0.37 0.37 0.78 -0.73 0.00 0.00 179.01 180.29 1n9n h GLY 40 N 0.57 0.87 0.37 1.92 0.00 -1.90 -2.33 103.07 102.57 1n9n h GLY 40 Ca 0.48 -0.36 0.09 0.00 0.00 0.00 0.00 47.33 47.53 1n9n h GLY 40 CO -0.39 0.35 0.12 -2.75 0.00 0.00 0.00 176.54 173.87 1n9n h PHE 41 N 0.82 0.20 -0.14 5.60 3.57 -1.65 0.19 116.94 125.53 1n9n h PHE 41 Ca 0.22 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 1n9n h PHE 41 Cb -0.03 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1n9n h PHE 41 CO -0.02 0.01 0.03 1.88 -2.23 0.00 0.00 178.31 177.98 1n9n h TYR 42 N 0.26 0.24 -0.75 0.41 0.99 -1.46 -1.82 116.97 114.84 1n9n h TYR 42 Ca 0.26 -0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.92 1n9n h TYR 42 Cb 0.34 -0.07 -0.03 0.00 1.00 0.00 0.00 36.73 37.97 1n9n h TYR 42 CO -0.22 0.38 0.30 0.00 -0.00 0.00 0.00 178.16 178.63 1n9n h ALA 43 N 0.83 0.97 0.27 3.88 0.00 -0.97 -0.93 119.26 123.32 1n9n h ALA 43 Ca 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1n9n h ALA 43 Cb 0.26 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1n9n h ALA 43 CO 0.00 0.59 -0.13 1.98 0.00 0.00 0.00 179.25 181.69 1n9n h MET 44 N 1.08 -0.35 0.00 0.00 1.85 -0.62 -3.30 114.93 113.59 1n9n h MET 44 Ca 0.25 0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 59.34 1n9n h MET 44 Cb 0.21 0.08 -0.00 0.00 0.43 0.00 0.00 31.60 32.32 1n9n h MET 44 CO -0.02 -0.03 -0.10 1.79 -0.40 0.00 0.00 176.91 178.15 1n9n h THR 45 N -0.71 0.26 0.00 -0.77 1.35 -1.33 -3.47 112.91 108.23 1n9n h THR 45 Ca -0.04 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 1n9n h THR 45 Cb 0.48 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1n9n h THR 45 CO 0.06 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 176.04 1n9n n GLY 46 N 0.16 1.43 3.88 5.82 0.00 -0.36 -0.45 105.19 115.67 1n9n n GLY 46 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1n9n n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n9n s TYR 47 N -2.76 3.53 0.35 1.61 1.51 -1.19 -4.75 117.35 115.64 1n9n s TYR 47 Ca 0.00 0.69 0.07 0.00 -1.01 0.00 0.00 57.07 56.82 1n9n s TYR 47 Cb 0.00 -2.09 -0.02 0.00 -0.11 0.00 0.00 41.96 39.74 1n9n s TYR 47 CO 0.00 0.47 0.40 0.20 -1.11 0.00 0.00 175.55 175.51 1n9n s GLY 48 N -2.07 1.75 0.41 0.71 0.00 -1.26 -4.44 107.32 102.42 1n9n s GLY 48 Ca 0.37 -1.59 0.16 0.00 0.00 0.00 0.00 44.72 43.66 1n9n s GLY 48 CO 0.21 -1.49 1.87 -0.56 0.00 0.00 0.00 173.10 173.12 1n9n h PRO 49 N 1.02 0.42 0.00 2.90 0.13 -1.98 -0.06 132.00 134.42 1n9n h PRO 49 Ca -0.44 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1n9n h PRO 49 Cb 1.26 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1n9n h PRO 49 CO 0.55 0.28 0.00 -0.25 -0.23 0.00 0.00 178.00 178.35 1n9n n ASP 50 N -4.51 0.00 0.00 1.44 8.00 -1.26 -1.87 116.55 118.35 1n9n n ASP 50 Ca 0.18 0.42 0.00 0.00 0.71 0.00 0.00 54.79 56.09 1n9n n ASP 50 Cb 0.64 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 1n9n n ASP 50 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1n9n n GLU 51 N -1.43 1.72 -0.04 -1.24 0.28 -0.06 -4.84 120.64 115.02 1n9n n GLU 51 Ca 0.01 -0.24 -0.06 0.00 -0.16 0.00 0.00 57.16 56.72 1n9n n GLU 51 Cb 0.04 -0.69 -0.04 0.00 1.43 0.00 0.00 31.44 32.18 1n9n n GLU 51 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 1n9n n VAL 52 N -0.31 0.50 -1.80 3.84 0.24 -0.94 -4.90 118.33 114.95 1n9n n VAL 52 Ca 0.00 -0.19 -0.42 0.00 -2.04 0.00 0.00 64.34 61.69 1n9n n VAL 52 Cb 0.03 -0.81 -0.03 0.00 -1.47 0.00 0.00 33.84 31.57 1n9n n VAL 52 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1n9n s LEU 53 N -5.51 4.37 0.00 1.34 1.43 -0.78 -1.51 118.68 118.02 1n9n s LEU 53 Ca -0.12 2.80 0.00 0.00 -1.03 0.00 0.00 54.13 55.79 1n9n s LEU 53 Cb 0.03 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1n9n s LEU 53 CO 0.20 -0.91 0.00 0.61 0.23 0.00 0.00 176.35 176.48 1n9n n GLY 54 N 3.59 0.74 3.31 -3.19 0.00 0.42 -4.96 105.19 105.10 1n9n n GLY 54 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 1n9n n GLY 54 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n9n s HIS 55 N -2.70 2.02 0.39 1.61 3.76 -0.57 -4.74 115.29 115.07 1n9n s HIS 55 Ca 0.00 -0.39 -0.27 0.00 -0.15 0.00 0.00 55.06 54.25 1n9n s HIS 55 Cb 0.00 -1.16 -0.09 0.00 1.11 0.00 0.00 32.58 32.44 1n9n s HIS 55 CO 0.00 0.18 1.31 1.21 -0.85 0.00 0.00 174.74 176.58 1n9n s ASN 56 N -1.55 6.42 0.00 1.40 3.84 -1.26 -1.37 114.94 122.42 1n9n s ASN 56 Ca 0.09 2.67 0.11 0.00 0.21 0.00 0.00 52.86 55.94 1n9n s ASN 56 Cb -0.10 -2.64 0.62 0.00 -0.55 0.00 0.00 41.25 38.59 1n9n s ASN 56 CO 0.03 -0.77 1.13 0.00 -2.79 0.00 0.00 177.10 174.70 1n9n n ARG 58 N -1.08 0.15 0.04 0.00 1.85 -1.26 -2.49 116.66 113.87 1n9n n ARG 58 Ca 0.07 0.55 0.04 0.00 -1.00 0.00 0.00 57.85 57.52 1n9n n ARG 58 Cb 0.05 -1.91 0.20 0.00 -1.05 0.00 0.00 32.46 29.75 1n9n n ARG 58 CO 0.00 0.00 0.00 1.97 -0.01 0.00 0.00 177.63 179.59 1n9n n PHE 59 N -2.22 0.18 0.91 2.89 -1.74 -1.23 -1.15 117.46 115.11 1n9n n PHE 59 Ca -0.00 0.09 0.13 0.00 -0.56 0.00 0.00 57.45 57.11 1n9n n PHE 59 Cb 0.10 -0.64 0.43 0.00 1.52 0.00 0.00 39.48 40.89 1n9n n PHE 59 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1n9n n LEU 60 N -1.68 0.33 -4.89 5.98 4.77 -1.04 -4.90 117.00 115.57 1n9n n LEU 60 Ca 0.01 0.32 -0.29 0.00 -0.03 0.00 0.00 56.01 56.01 1n9n n LEU 60 Cb 0.06 -0.36 0.04 0.00 -2.33 0.00 0.00 43.42 40.83 1n9n n LEU 60 CO 0.06 0.01 0.69 -1.10 -1.33 0.00 0.00 177.39 175.72 1n9n s GLN 61 N -3.03 2.82 0.00 3.23 -0.21 -0.30 -0.38 119.66 121.80 1n9n s GLN 61 Ca 0.12 0.30 0.00 0.00 0.02 0.00 0.00 55.36 55.80 1n9n s GLN 61 Cb 0.17 -2.09 0.00 0.00 1.00 0.00 0.00 33.01 32.09 1n9n s GLN 61 CO 0.61 -0.97 0.00 0.41 -2.12 0.00 0.00 175.29 173.23 1n9n n GLY 62 N -2.90 3.10 0.18 3.09 0.00 -1.26 -4.78 105.19 102.62 1n9n n GLY 62 Ca 0.06 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.38 1n9n n GLY 62 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1n9n h GLU 63 N 0.00 0.07 -0.02 1.61 4.81 -1.98 -2.58 114.58 116.49 1n9n h GLU 63 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1n9n h GLU 63 Cb 0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1n9n h GLU 63 CO 0.00 0.04 0.00 0.41 -0.73 0.00 0.00 179.01 178.73 1n9n n GLY 64 N -1.30 -0.78 3.68 1.92 0.00 -1.26 -4.87 105.19 102.58 1n9n n GLY 64 Ca 0.03 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1n9n n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n9n s THR 65 N -1.98 3.66 -0.32 2.61 2.01 -0.98 -4.76 115.64 115.88 1n9n s THR 65 Ca 0.37 0.98 -0.28 0.00 0.31 0.00 0.00 61.69 63.07 1n9n s THR 65 Cb 0.17 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 1n9n s THR 65 CO 0.29 -0.03 1.93 -0.62 -0.69 0.00 0.00 174.62 175.50 1n9n s ASP 66 N 2.25 5.69 0.40 3.53 -1.08 -1.26 -4.85 116.67 121.35 1n9n s ASP 66 Ca 0.66 1.39 0.27 0.00 -0.52 0.00 0.00 52.55 54.34 1n9n s ASP 66 Cb -0.32 -2.52 1.44 0.00 -1.46 0.00 0.00 42.92 40.06 1n9n s ASP 66 CO 0.27 -1.85 1.81 1.55 0.52 0.00 0.00 175.17 177.46 1n9n h PRO 67 N 13.79 0.00 0.04 4.34 0.13 -1.96 -1.37 132.00 146.97 1n9n h PRO 67 Ca -0.35 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.55 1n9n h PRO 67 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1n9n h PRO 67 CO 1.03 0.00 -1.07 -0.22 -0.23 0.00 0.00 178.00 177.51 1n9n h LYS 68 N 0.00 0.10 0.02 0.86 3.64 -1.99 -1.97 116.57 117.24 1n9n h LYS 68 Ca 0.00 -0.17 -0.25 0.00 -1.27 0.00 0.00 60.65 58.97 1n9n h LYS 68 Cb 0.03 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1n9n h LYS 68 CO 0.00 1.07 -1.02 0.93 -2.27 0.00 0.00 179.45 178.16 1n9n h GLU 69 N 0.03 0.49 -0.47 1.90 4.39 -1.62 -2.59 114.58 116.71 1n9n h GLU 69 Ca -0.05 -0.56 -0.01 0.00 0.34 0.00 0.00 59.36 59.08 1n9n h GLU 69 Cb 1.82 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 30.61 1n9n h GLU 69 CO 0.15 1.19 0.24 0.28 -1.16 0.00 0.00 179.01 179.71 1n9n h VAL 70 N 0.26 1.18 -0.78 3.13 2.07 -1.49 -2.12 116.25 118.51 1n9n h VAL 70 Ca -0.11 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 66.94 1n9n h VAL 70 Cb 1.67 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 1n9n h VAL 70 CO 0.18 0.20 0.52 -0.61 0.02 0.00 0.00 177.57 177.88 1n9n h GLN 71 N 0.62 0.99 -0.90 1.57 4.15 -1.34 -0.34 115.11 119.86 1n9n h GLN 71 Ca 0.16 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1n9n h GLN 71 Cb 0.10 -0.22 -0.04 0.00 0.21 0.00 0.00 27.48 27.52 1n9n h GLN 71 CO -0.02 0.65 0.58 -0.22 -1.93 0.00 0.00 178.83 177.89 1n9n h LYS 72 N 1.02 1.19 -0.11 1.69 3.64 -0.98 -0.23 116.57 122.79 1n9n h LYS 72 Ca 0.30 -0.08 -0.23 0.00 -1.27 0.00 0.00 60.65 59.36 1n9n h LYS 72 Cb -0.06 -0.26 0.01 0.00 -0.41 0.00 0.00 32.23 31.51 1n9n h LYS 72 CO -0.07 0.80 -0.84 0.82 -2.27 0.00 0.00 179.45 177.88 1n9n h ILE 73 N 1.22 1.28 -0.55 2.00 2.04 -0.84 -2.55 117.51 120.11 1n9n h ILE 73 Ca 0.33 -2.04 0.05 0.00 1.00 0.00 0.00 64.86 64.19 1n9n h ILE 73 Cb -0.11 2.11 -0.05 0.00 -0.74 0.00 0.00 36.82 38.03 1n9n h ILE 73 CO -0.07 0.64 0.29 -0.09 0.00 0.00 0.00 178.15 178.92 1n9n h ARG 74 N 0.48 0.54 -0.43 2.37 2.43 -0.69 -1.41 114.38 117.67 1n9n h ARG 74 Ca -0.08 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 58.94 1n9n h ARG 74 Cb 1.48 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 1n9n h ARG 74 CO 0.17 0.36 -0.23 -0.44 -1.51 0.00 0.00 179.97 178.32 1n9n h ASP 75 N 0.56 0.91 -0.54 -3.80 3.45 -1.07 -1.90 116.42 114.04 1n9n h ASP 75 Ca 0.24 -0.34 -0.06 0.00 0.43 0.00 0.00 57.03 57.30 1n9n h ASP 75 Cb 0.13 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.63 1n9n h ASP 75 CO -0.16 1.09 0.09 0.00 -1.57 0.00 0.00 179.24 178.70 1n9n h ALA 76 N 0.97 0.71 -0.72 3.45 0.00 -1.09 -2.01 119.26 120.57 1n9n h ALA 76 Ca 0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1n9n h ALA 76 Cb 0.78 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1n9n h ALA 76 CO 0.06 0.44 0.30 0.82 0.00 0.00 0.00 179.25 180.88 1n9n h ILE 77 N 0.77 1.25 -0.58 0.00 2.04 -1.18 0.22 117.51 120.03 1n9n h ILE 77 Ca 0.16 -0.75 0.05 0.00 1.00 0.00 0.00 64.86 65.32 1n9n h ILE 77 Cb 0.39 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 1n9n h ILE 77 CO 0.01 0.31 0.31 0.11 0.00 0.00 0.00 178.15 178.88 1n9n h LYS 78 N 1.03 0.57 -0.02 2.37 1.79 -1.04 -1.46 116.57 119.82 1n9n h LYS 78 Ca 0.24 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 1n9n h LYS 78 Cb 0.19 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1n9n h LYS 78 CO -0.02 0.38 0.00 1.63 -1.08 0.00 0.00 179.45 180.36 1n9n n LYS 79 N -4.84 1.35 -3.39 3.15 5.02 -0.78 -4.93 118.16 113.74 1n9n n LYS 79 Ca 0.06 -0.51 -0.18 0.00 -2.02 0.00 0.00 58.31 55.67 1n9n n LYS 79 Cb 0.15 -1.47 0.08 0.00 -0.02 0.00 0.00 35.03 33.77 1n9n n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n9n n GLY 80 N 1.07 -0.35 3.44 0.72 0.00 0.11 -5.02 105.19 105.16 1n9n n GLY 80 Ca 0.21 0.10 -0.22 0.00 0.00 0.00 0.00 46.02 46.11 1n9n n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n9n s GLU 81 N -5.57 1.57 0.52 1.61 2.02 0.54 -4.86 118.70 114.53 1n9n s GLU 81 Ca 0.17 -1.75 -0.18 0.00 0.02 0.00 0.00 54.97 53.23 1n9n s GLU 81 Cb -0.08 -1.38 -0.07 0.00 0.10 0.00 0.00 34.13 32.70 1n9n s GLU 81 CO 0.68 0.16 1.02 0.00 0.02 0.00 0.00 175.26 177.14 1n9n s ALA 82 N -2.81 2.92 -0.07 5.21 0.00 -1.26 -4.35 121.76 121.39 1n9n s ALA 82 Ca 0.28 0.37 -0.22 0.00 0.00 0.00 0.00 51.96 52.39 1n9n s ALA 82 Cb 0.00 -3.19 0.05 0.00 0.00 0.00 0.00 23.12 19.98 1n9n s ALA 82 CO 0.12 -0.39 0.50 0.00 0.00 0.00 0.00 175.76 175.99 1n9n s SER 84 N -0.90 1.27 0.13 0.00 0.15 -1.26 -0.03 113.70 113.06 1n9n s SER 84 Ca -0.09 -0.10 -0.07 0.00 0.70 0.00 0.00 55.95 56.38 1n9n s SER 84 Cb -0.03 -0.43 -0.01 0.00 -1.71 0.00 0.00 66.02 63.83 1n9n s SER 84 CO 0.06 -0.14 0.20 0.68 1.20 0.00 0.00 173.24 175.24 1n9n s VAL 85 N 1.51 0.10 -0.22 4.45 -7.23 0.05 -5.00 120.40 114.07 1n9n s VAL 85 Ca -0.02 -1.43 -0.08 0.00 -1.81 0.00 0.00 61.98 58.65 1n9n s VAL 85 Cb -0.13 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 1n9n s VAL 85 CO -0.03 -0.48 0.08 -0.13 -0.31 0.00 0.00 175.10 174.23 1n9n s ARG 86 N -3.94 3.86 0.03 4.82 0.52 -1.26 -0.41 118.95 122.57 1n9n s ARG 86 Ca 0.14 -0.39 0.04 0.00 -0.52 0.00 0.00 55.73 55.00 1n9n s ARG 86 Cb 0.05 -3.30 -0.02 0.00 0.52 0.00 0.00 34.95 32.20 1n9n s ARG 86 CO -0.04 0.06 -0.11 -0.51 0.02 0.00 0.00 175.30 174.72 1n9n s LEU 87 N 0.96 2.15 -0.10 2.53 1.43 -0.03 -4.92 118.68 120.68 1n9n s LEU 87 Ca 0.04 -0.39 -0.24 0.00 -1.03 0.00 0.00 54.13 52.51 1n9n s LEU 87 Cb -0.14 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.58 1n9n s LEU 87 CO 0.03 0.00 0.75 -0.22 0.23 0.00 0.00 176.35 177.14 1n9n s LEU 88 N -0.98 4.26 0.36 1.79 2.96 -1.26 -0.53 118.68 125.28 1n9n s LEU 88 Ca -0.00 1.18 0.05 0.00 -0.22 0.00 0.00 54.13 55.14 1n9n s LEU 88 Cb -0.07 -3.14 -0.07 0.00 0.50 0.00 0.00 46.19 43.41 1n9n s LEU 88 CO 0.01 -0.22 0.03 0.20 -1.32 0.00 0.00 176.35 175.04 1n9n s ASN 89 N 0.95 3.06 -0.01 3.68 0.02 0.41 -4.48 114.94 118.58 1n9n s ASN 89 Ca 0.38 -1.36 0.04 0.00 -1.02 0.00 0.00 52.86 50.90 1n9n s ASN 89 Cb -0.17 -0.23 -0.01 0.00 0.02 0.00 0.00 41.25 40.86 1n9n s ASN 89 CO 0.16 -0.51 -0.13 -0.31 0.02 0.00 0.00 177.10 176.34 1n9n s TYR 90 N -3.01 1.13 0.94 2.20 1.51 0.49 -1.05 117.35 119.56 1n9n s TYR 90 Ca 0.35 -0.22 -0.14 0.00 -1.01 0.00 0.00 57.07 56.06 1n9n s TYR 90 Cb 0.09 -0.73 0.16 0.00 -0.11 0.00 0.00 41.96 41.36 1n9n s TYR 90 CO 0.16 -0.03 1.17 1.03 -1.11 0.00 0.00 175.55 176.78 1n9n s ARG 91 N -0.27 0.89 0.50 -0.62 0.52 0.27 -4.79 118.95 115.45 1n9n s ARG 91 Ca 0.04 0.09 0.18 0.00 -0.52 0.00 0.00 55.73 55.52 1n9n s ARG 91 Cb -0.05 -1.83 1.24 0.00 0.52 0.00 0.00 34.95 34.83 1n9n s ARG 91 CO -0.00 -2.33 2.08 -0.22 0.02 0.00 0.00 175.30 174.84 1n9n h LYS 92 N -1.59 0.09 -0.08 3.54 3.64 -1.05 -0.04 116.57 121.08 1n9n h LYS 92 Ca -0.48 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1n9n h LYS 92 Cb 1.31 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1n9n h LYS 92 CO 0.55 0.06 0.00 -0.40 -2.27 0.00 0.00 179.45 177.39 1n9n n ASP 93 N -4.48 0.51 0.00 4.20 5.68 -1.26 -4.89 116.55 116.31 1n9n n ASP 93 Ca 0.03 -1.82 0.00 0.00 -0.50 0.00 0.00 54.79 52.50 1n9n n ASP 93 Cb 0.27 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 1n9n n ASP 93 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n9n n GLY 94 N 0.74 2.08 3.77 6.12 0.00 -0.03 -5.03 105.19 112.84 1n9n n GLY 94 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1n9n n GLY 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n9n s THR 95 N -2.71 3.23 0.38 2.61 -4.23 -1.26 -4.66 115.64 109.00 1n9n s THR 95 Ca 0.00 1.13 -0.11 0.00 -1.18 0.00 0.00 61.69 61.52 1n9n s THR 95 Cb 0.00 -3.67 -0.07 0.00 1.34 0.00 0.00 72.50 70.10 1n9n s THR 95 CO 0.00 0.18 0.75 -2.16 -0.54 0.00 0.00 174.62 172.85 1n9n s PRO 96 N -1.95 3.82 -0.05 3.99 0.04 -1.26 -0.56 135.00 139.02 1n9n s PRO 96 Ca 0.52 0.49 -0.31 0.00 0.04 0.00 0.00 61.00 61.74 1n9n s PRO 96 Cb -0.32 -2.42 0.07 0.00 0.04 0.00 0.00 34.50 31.88 1n9n s PRO 96 CO 0.41 0.02 0.68 -0.59 0.04 0.00 0.00 177.00 177.56 1n9n s PHE 97 N -2.26 -0.66 -0.15 0.56 -0.71 -0.22 -4.93 117.98 109.62 1n9n s PHE 97 Ca 0.51 1.13 -0.20 0.00 -1.04 0.00 0.00 56.93 57.34 1n9n s PHE 97 Cb -0.10 0.41 -0.03 0.00 -1.21 0.00 0.00 43.02 42.08 1n9n s PHE 97 CO 0.28 -0.61 0.57 -1.58 -1.34 0.00 0.00 175.22 172.54 1n9n s TRP 98 N -1.18 3.46 -0.23 3.49 0.52 -1.26 -0.44 118.94 123.29 1n9n s TRP 98 Ca -0.11 0.95 0.00 0.00 0.02 0.00 0.00 56.10 56.96 1n9n s TRP 98 Cb -0.00 -2.70 0.03 0.00 -1.15 0.00 0.00 33.47 29.65 1n9n s TRP 98 CO 0.10 0.00 -0.11 1.21 0.02 0.00 0.00 176.95 178.17 1n9n s ASN 99 N 0.92 4.01 -0.38 2.95 2.47 0.31 -0.99 114.94 124.24 1n9n s ASN 99 Ca 0.29 -0.91 -0.22 0.00 0.42 0.00 0.00 52.86 52.44 1n9n s ASN 99 Cb -0.16 -1.59 0.01 0.00 -1.45 0.00 0.00 41.25 38.06 1n9n s ASN 99 CO 0.12 -0.10 0.74 -0.22 -3.72 0.00 0.00 177.10 173.92 1n9n s LEU 100 N 1.27 4.20 -0.11 3.21 2.96 0.08 -0.86 118.68 129.43 1n9n s LEU 100 Ca -0.00 0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 54.09 1n9n s LEU 100 Cb -0.16 -2.94 -0.03 0.00 0.50 0.00 0.00 46.19 43.56 1n9n s LEU 100 CO -0.07 -0.73 -0.07 -0.22 -1.32 0.00 0.00 176.35 173.94 1n9n s LEU 101 N 3.03 3.12 -0.17 -0.68 2.96 0.45 -1.18 118.68 126.20 1n9n s LEU 101 Ca 0.29 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 1n9n s LEU 101 Cb -0.13 -1.71 0.04 0.00 0.50 0.00 0.00 46.19 44.89 1n9n s LEU 101 CO 0.17 0.26 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.50 1n9n s THR 102 N -0.21 1.34 -0.16 3.68 2.01 -0.77 -0.77 115.64 120.76 1n9n s THR 102 Ca 0.03 -0.73 -0.07 0.00 0.31 0.00 0.00 61.69 61.24 1n9n s THR 102 Cb -0.13 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 1n9n s THR 102 CO 0.03 0.21 0.06 -0.69 -0.69 0.00 0.00 174.62 173.54 1n9n s VAL 103 N 1.54 4.83 -0.10 3.82 1.01 0.96 -1.54 120.40 130.92 1n9n s VAL 103 Ca 0.01 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.97 1n9n s VAL 103 Cb -0.15 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.10 1n9n s VAL 103 CO -0.08 0.50 -0.11 -0.89 0.00 0.00 0.00 175.10 174.52 1n9n s THR 104 N -0.01 1.21 0.24 3.92 2.01 0.99 -1.47 115.64 122.53 1n9n s THR 104 Ca 0.06 -0.46 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 1n9n s THR 104 Cb -0.12 -1.15 -0.09 0.00 0.01 0.00 0.00 72.50 71.15 1n9n s THR 104 CO 0.01 0.39 1.00 -2.16 -0.69 0.00 0.00 174.62 173.17 1n9n s PRO 105 N 1.16 4.76 -0.26 4.92 0.04 -1.26 -0.61 135.00 143.76 1n9n s PRO 105 Ca -0.04 1.60 -0.00 0.00 0.04 0.00 0.00 61.00 62.59 1n9n s PRO 105 Cb -0.14 -3.26 0.04 0.00 0.04 0.00 0.00 34.50 31.18 1n9n s PRO 105 CO -0.03 0.37 -0.07 0.42 0.04 0.00 0.00 177.00 177.73 1n9n s ILE 106 N -1.01 2.64 0.25 0.56 -1.09 0.36 -4.95 121.20 117.96 1n9n s ILE 106 Ca 0.43 -1.27 0.05 0.00 -2.23 0.00 0.00 60.65 57.63 1n9n s ILE 106 Cb -0.28 -2.42 -0.03 0.00 -1.58 0.00 0.00 42.46 38.15 1n9n s ILE 106 CO 0.35 0.09 0.37 -0.54 -1.23 0.00 0.00 174.94 173.98 1n9n s LYS 107 N 1.24 3.44 0.55 2.79 1.02 -1.26 -0.70 119.74 126.82 1n9n s LYS 107 Ca -0.03 -0.74 -0.02 0.00 0.02 0.00 0.00 55.97 55.20 1n9n s LYS 107 Cb -0.18 -2.88 0.02 0.00 -0.52 0.00 0.00 37.83 34.27 1n9n s LYS 107 CO -0.04 0.41 0.81 0.95 -0.92 0.00 0.00 175.35 176.56 1n9n s THR 108 N -2.00 3.35 0.59 2.17 -4.23 0.42 -4.84 115.64 111.10 1n9n s THR 108 Ca 0.34 -0.35 0.29 0.00 -1.18 0.00 0.00 61.69 60.79 1n9n s THR 108 Cb -0.09 -3.29 0.37 0.00 1.34 0.00 0.00 72.50 70.82 1n9n s THR 108 CO 0.29 -0.25 2.00 1.55 -0.54 0.00 0.00 174.62 177.67 1n9n h PRO 109 N 0.01 0.00 0.00 3.99 0.13 -2.00 0.17 132.00 134.30 1n9n h PRO 109 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1n9n h PRO 109 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1n9n h PRO 109 CO 0.58 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.95 1n9n n ASP 110 N -3.72 0.00 0.00 1.44 5.68 -1.26 -4.89 116.55 113.80 1n9n n ASP 110 Ca 0.04 -0.50 0.00 0.00 -0.50 0.00 0.00 54.79 53.83 1n9n n ASP 110 Cb 0.48 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 1n9n n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n9n n GLY 111 N 0.76 1.47 3.80 6.12 0.00 0.60 -5.06 105.19 112.89 1n9n n GLY 111 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1n9n n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n9n s ARG 112 N -0.72 3.88 -0.26 1.61 0.52 -1.26 -4.73 118.95 117.99 1n9n s ARG 112 Ca 0.00 1.29 -0.24 0.00 -0.52 0.00 0.00 55.73 56.25 1n9n s ARG 112 Cb 0.00 -2.11 -0.00 0.00 0.52 0.00 0.00 34.95 33.35 1n9n s ARG 112 CO 0.00 -0.35 0.82 0.08 0.02 0.00 0.00 175.30 175.87 1n9n s VAL 113 N -2.07 4.82 -0.20 3.52 1.01 -1.26 -0.43 120.40 125.79 1n9n s VAL 113 Ca 0.66 1.47 -0.08 0.00 0.00 0.00 0.00 61.98 64.02 1n9n s VAL 113 Cb -0.14 -4.13 -0.20 0.00 0.00 0.00 0.00 36.38 31.91 1n9n s VAL 113 CO 0.19 -0.12 0.05 -0.24 0.00 0.00 0.00 175.10 174.99 1n9n n SER 114 N 6.07 2.01 -4.16 3.32 2.88 0.12 -4.55 113.62 119.31 1n9n n SER 114 Ca 0.05 0.17 -0.10 0.00 -1.33 0.00 0.00 58.87 57.66 1n9n n SER 114 Cb 0.48 -0.75 -0.10 0.00 -0.75 0.00 0.00 64.21 63.09 1n9n n SER 114 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1n9n s LYS 115 N -2.50 0.91 -0.05 -1.46 -0.14 -1.02 -0.98 119.74 114.49 1n9n s LYS 115 Ca -0.30 -1.42 0.05 0.00 -1.36 0.00 0.00 55.97 52.94 1n9n s LYS 115 Cb 0.08 0.11 -0.00 0.00 -1.68 0.00 0.00 37.83 36.34 1n9n s LYS 115 CO 0.64 -0.20 -0.19 -0.06 -0.76 0.00 0.00 175.35 174.79 1n9n s PHE 116 N -3.92 1.88 -0.02 3.18 0.08 -0.22 -0.49 117.98 118.46 1n9n s PHE 116 Ca 0.21 -0.56 0.03 0.00 0.12 0.00 0.00 56.93 56.72 1n9n s PHE 116 Cb 0.07 -1.26 -0.03 0.00 -0.57 0.00 0.00 43.02 41.23 1n9n s PHE 116 CO -0.00 -0.19 -0.08 0.08 -0.10 0.00 0.00 175.22 174.93 1n9n s VAL 117 N 0.05 3.57 -0.02 -0.44 1.01 0.22 0.16 120.40 124.95 1n9n s VAL 117 Ca -0.05 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1n9n s VAL 117 Cb -0.12 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.76 1n9n s VAL 117 CO 0.03 0.48 -0.04 -0.83 0.00 0.00 0.00 175.10 174.73 1n9n s GLY 118 N -1.16 0.29 -0.21 4.51 0.00 -0.79 -0.00 107.32 109.96 1n9n s GLY 118 Ca 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 44.72 44.73 1n9n s GLY 118 CO 0.05 0.08 -0.08 0.14 0.00 0.00 0.00 173.10 173.28 1n9n s VAL 119 N 0.29 3.05 -0.14 1.40 1.01 -0.59 -1.94 120.40 123.48 1n9n s VAL 119 Ca -0.03 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 1n9n s VAL 119 Cb -0.07 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1n9n s VAL 119 CO -0.00 0.45 -0.05 -1.10 0.00 0.00 0.00 175.10 174.40 1n9n s GLN 120 N 1.42 3.55 -0.12 2.72 1.11 -0.52 -1.84 119.66 125.98 1n9n s GLN 120 Ca 0.05 -0.53 0.01 0.00 0.01 0.00 0.00 55.36 54.90 1n9n s GLN 120 Cb -0.14 -2.86 0.02 0.00 -1.01 0.00 0.00 33.01 29.02 1n9n s GLN 120 CO -0.06 0.29 -0.14 0.08 0.01 0.00 0.00 175.29 175.47 1n9n s VAL 121 N 0.22 1.49 -0.58 1.09 1.01 -0.33 -0.41 120.40 122.89 1n9n s VAL 121 Ca -0.03 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 1n9n s VAL 121 Cb -0.14 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 34.87 1n9n s VAL 121 CO 0.03 0.44 1.36 -0.62 0.00 0.00 0.00 175.10 176.32 1n9n s ASP 122 N 1.20 6.18 -0.30 3.32 -1.08 -1.26 -0.74 116.67 123.99 1n9n s ASP 122 Ca -0.02 0.19 0.11 0.00 -0.52 0.00 0.00 52.55 52.31 1n9n s ASP 122 Cb -0.14 -2.55 0.73 0.00 -1.46 0.00 0.00 42.92 39.50 1n9n s ASP 122 CO -0.05 -1.68 1.76 1.33 0.52 0.00 0.00 175.17 177.04 1n9n n VAL 123 N 6.79 2.85 0.02 1.11 0.24 -0.16 -4.56 118.33 124.62 1n9n n VAL 123 Ca 0.11 -1.70 0.17 0.00 -2.04 0.00 0.00 64.34 60.87 1n9n n VAL 123 Cb 0.49 -0.34 0.64 0.00 -1.47 0.00 0.00 33.84 33.16 1n9n n VAL 123 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1n9n h THR 124 N 2.64 0.81 0.00 3.34 2.02 -1.89 -3.47 112.91 116.35 1n9n h THR 124 Ca 0.22 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.37 1n9n h THR 124 Cb 2.20 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 1n9n h THR 124 CO 0.66 0.02 0.00 -1.20 0.37 0.00 0.00 175.52 175.36