#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3z s GLU 2 N 0.00 4.50 0.85 1.64 2.12 -1.26 -5.06 118.70 121.48 1n3z s GLU 2 Ca 0.00 1.09 -0.12 0.00 0.36 0.00 0.00 54.97 56.30 1n3z s GLU 2 Cb 0.00 -3.20 0.10 0.00 0.26 0.00 0.00 34.13 31.29 1n3z s GLU 2 CO 0.00 0.55 1.13 -1.54 -0.54 0.00 0.00 175.26 174.86 1n3z s SER 3 N -1.22 4.08 0.21 -1.70 1.04 -1.26 -4.86 113.70 110.00 1n3z s SER 3 Ca 0.36 1.03 -0.08 0.00 0.48 0.00 0.00 55.95 57.74 1n3z s SER 3 Cb -0.22 -1.64 0.16 0.00 0.10 0.00 0.00 66.02 64.42 1n3z s SER 3 CO 0.25 -2.20 1.80 0.00 0.98 0.00 0.00 173.24 174.07 1n3z h ALA 4 N -1.25 1.03 -0.46 5.32 0.00 -1.96 -1.52 119.26 120.42 1n3z h ALA 4 Ca -0.48 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.18 1n3z h ALA 4 Cb 1.31 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1n3z h ALA 4 CO 0.62 0.60 -0.05 0.00 0.00 0.00 0.00 179.25 180.43 1n3z h ALA 5 N 1.20 1.05 -0.21 0.00 0.00 -1.88 -1.17 119.26 118.25 1n3z h ALA 5 Ca 0.27 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1n3z h ALA 5 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1n3z h ALA 5 CO -0.03 0.59 -0.43 0.00 0.00 0.00 0.00 179.25 179.37 1n3z h ALA 6 N 1.21 0.86 -0.47 0.00 0.00 -1.82 -1.91 119.26 117.14 1n3z h ALA 6 Ca 0.13 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 1n3z h ALA 6 Cb 0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1n3z h ALA 6 CO 0.03 0.65 -0.19 -0.22 0.00 0.00 0.00 179.25 179.52 1n3z h LYS 7 N 0.41 0.93 -0.22 0.00 3.64 -1.06 -1.39 116.57 118.88 1n3z h LYS 7 Ca 0.03 -0.37 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 1n3z h LYS 7 Cb 0.93 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1n3z h LYS 7 CO 0.08 1.03 0.09 0.35 -2.27 0.00 0.00 179.45 178.73 1n3z h PHE 8 N 0.81 0.33 -0.65 1.91 3.04 -0.92 -0.88 116.94 120.58 1n3z h PHE 8 Ca 0.11 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.05 1n3z h PHE 8 Cb 0.74 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 39.11 1n3z h PHE 8 CO 0.05 0.36 0.43 0.93 -2.02 0.00 0.00 178.31 178.06 1n3z h GLU 9 N 0.21 0.85 -0.58 1.11 5.08 -1.17 0.26 114.58 120.34 1n3z h GLU 9 Ca 0.07 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1n3z h GLU 9 Cb 0.17 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1n3z h GLU 9 CO -0.01 0.56 0.08 -0.09 -1.00 0.00 0.00 179.01 178.56 1n3z h ARG 10 N 0.88 0.96 0.03 2.33 2.43 -1.03 -2.18 114.38 117.81 1n3z h ARG 10 Ca 0.24 -0.26 -0.22 0.00 -0.81 0.00 0.00 59.98 58.92 1n3z h ARG 10 Cb -0.09 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 1n3z h ARG 10 CO -0.06 0.92 -1.04 1.96 -1.51 0.00 0.00 179.97 180.24 1n3z h GLN 11 N 0.86 0.09 0.00 0.20 4.20 -1.04 -3.42 115.11 116.00 1n3z h GLN 11 Ca 0.17 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1n3z h GLN 11 Cb 0.43 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1n3z h GLN 11 CO 0.01 1.04 -0.25 0.72 -0.67 0.00 0.00 178.83 179.68 1n3z n HIS 12 N -3.44 0.00 -3.79 2.96 8.25 0.07 -4.69 115.22 114.58 1n3z n HIS 12 Ca -0.03 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.08 1n3z n HIS 12 Cb 0.94 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.96 1n3z n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1n3z s MET 13 N -1.33 4.11 -0.40 -0.41 -1.94 -0.82 0.30 119.30 118.81 1n3z s MET 13 Ca 0.00 -0.26 0.09 0.00 -1.71 0.00 0.00 55.69 53.82 1n3z s MET 13 Cb 0.01 -3.38 0.32 0.00 2.01 0.00 0.00 34.83 33.79 1n3z s MET 13 CO 0.07 0.26 0.81 -3.47 -0.01 0.00 0.00 175.02 172.68 1n3z n ASP 14 N 3.64 -0.35 -4.66 3.03 2.03 -0.30 -4.87 116.55 115.07 1n3z n ASP 14 Ca -0.16 -3.17 -0.51 0.00 0.52 0.00 0.00 54.79 51.47 1n3z n ASP 14 Cb 0.52 0.22 -0.05 0.00 -0.72 0.00 0.00 41.12 41.09 1n3z n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1n3z n SER 15 N 0.55 2.58 0.00 1.67 7.64 -1.23 -4.16 113.62 120.67 1n3z n SER 15 Ca 0.18 1.07 0.00 0.00 1.01 0.00 0.00 58.87 61.13 1n3z n SER 15 Cb 0.65 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 1n3z n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n3z n GLY 16 N 3.51 0.99 0.00 0.23 0.00 -0.92 -4.96 105.19 104.04 1n3z n GLY 16 Ca 0.21 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1n3z n GLY 16 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n3z n SER 22 N 0.00 -0.55 0.17 1.61 3.41 -1.26 -4.94 113.62 112.06 1n3z n SER 22 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1n3z n SER 22 Cb 0.00 0.53 0.60 0.00 -0.26 0.00 0.00 64.21 65.08 1n3z n SER 22 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1n3z h SER 23 N 0.00 0.00 -0.18 4.04 4.64 -2.01 -2.01 113.55 118.03 1n3z h SER 23 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n3z h SER 23 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1n3z h SER 23 CO 0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 1n3z n ASN 24 N -2.32 2.42 -0.14 4.97 3.02 -1.26 -4.47 115.26 117.48 1n3z n ASN 24 Ca -0.01 -1.81 -0.05 0.00 -0.03 0.00 0.00 54.58 52.68 1n3z n ASN 24 Cb 0.10 -0.11 0.01 0.00 -0.61 0.00 0.00 39.78 39.17 1n3z n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1n3z h TYR 25 N 3.39 -0.58 -0.64 3.10 3.20 -1.76 -1.52 116.97 122.16 1n3z h TYR 25 Ca 0.00 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.84 1n3z h TYR 25 Cb 0.73 0.33 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 1n3z h TYR 25 CO 0.11 -0.31 0.09 0.00 -1.64 0.00 0.00 178.16 176.41 1n3z h ASN 27 N 0.99 0.97 0.03 0.00 2.35 -1.64 0.38 115.58 118.66 1n3z h ASN 27 Ca 0.19 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1n3z h ASN 27 Cb 0.44 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1n3z h ASN 27 CO 0.01 0.69 -0.01 0.25 -1.65 0.00 0.00 177.43 176.72 1n3z h LEU 28 N 1.14 -0.03 -0.61 1.61 5.85 -0.94 -3.35 115.31 118.97 1n3z h LEU 28 Ca 0.32 -0.51 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 1n3z h LEU 28 Cb -0.10 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1n3z h LEU 28 CO -0.08 0.50 0.06 0.24 -0.34 0.00 0.00 178.44 178.82 1n3z h MET 29 N -0.58 1.04 -4.45 1.25 2.86 -0.95 -3.42 114.93 110.69 1n3z h MET 29 Ca -0.00 -0.30 -0.39 0.00 -2.06 0.00 0.00 59.70 56.94 1n3z h MET 29 Cb 0.54 -0.11 0.07 0.00 0.06 0.00 0.00 31.60 32.16 1n3z h MET 29 CO 0.01 1.00 1.51 -1.33 1.06 0.00 0.00 176.91 179.15 1n3z n MET 30 N -4.24 0.42 -1.07 1.72 2.81 0.11 -4.55 117.12 112.33 1n3z n MET 30 Ca 0.03 -1.01 -0.04 0.00 -1.81 0.00 0.00 57.70 54.87 1n3z n MET 30 Cb 0.31 -2.40 -0.02 0.00 -0.71 0.00 0.00 33.22 30.41 1n3z n MET 30 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1n3z n ARG 33 N 6.53 -1.89 -3.49 0.03 5.12 -1.26 -0.67 116.66 121.02 1n3z n ARG 33 Ca 0.32 0.61 -0.24 0.00 -1.93 0.00 0.00 57.85 56.61 1n3z n ARG 33 Cb 0.26 -5.01 0.06 0.00 -1.16 0.00 0.00 32.46 26.60 1n3z n ARG 33 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1n3z n LYS 34 N 0.32 -6.85 -0.48 5.56 4.76 -1.26 -4.79 118.16 115.41 1n3z n LYS 34 Ca -0.04 0.81 0.09 0.00 -2.87 0.00 0.00 58.31 56.31 1n3z n LYS 34 Cb 0.51 -5.80 0.31 0.00 -1.84 0.00 0.00 35.03 28.22 1n3z n LYS 34 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1n3z n MET 35 N -4.71 3.33 -0.43 1.97 2.81 0.15 -4.07 117.12 116.16 1n3z n MET 35 Ca -0.02 -2.72 0.07 0.00 -1.81 0.00 0.00 57.70 53.23 1n3z n MET 35 Cb 0.57 -1.72 0.14 0.00 -0.71 0.00 0.00 33.22 31.49 1n3z n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1n3z n THR 36 N 1.05 1.64 -4.00 2.03 -2.24 -1.20 -1.44 114.28 110.11 1n3z n THR 36 Ca 0.23 -2.26 -0.35 0.00 -2.27 0.00 0.00 64.05 59.40 1n3z n THR 36 Cb 0.76 -0.05 -0.12 0.00 -2.10 0.00 0.00 70.33 68.82 1n3z n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n3z s GLN 37 N -2.45 3.66 0.00 -0.78 -2.07 -1.26 -4.41 119.66 112.35 1n3z s GLN 37 Ca 0.31 -0.49 0.00 0.00 -1.82 0.00 0.00 55.36 53.35 1n3z s GLN 37 Cb 0.29 -3.14 0.00 0.00 -1.09 0.00 0.00 33.01 29.07 1n3z s GLN 37 CO -0.03 -0.00 0.00 0.41 -1.32 0.00 0.00 175.29 174.35 1n3z n GLY 38 N 4.32 2.58 3.65 2.60 0.00 -1.26 -4.90 105.19 112.19 1n3z n GLY 38 Ca -0.17 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 1n3z n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n3z s LYS 39 N 0.00 1.45 -0.23 1.61 -2.85 -1.26 -5.05 119.74 113.40 1n3z s LYS 39 Ca 0.00 -0.70 -0.22 0.00 -1.00 0.00 0.00 55.97 54.06 1n3z s LYS 39 Cb 0.00 0.56 -0.02 0.00 -2.06 0.00 0.00 37.83 36.31 1n3z s LYS 39 CO 0.00 -0.65 0.69 0.00 0.10 0.00 0.00 175.35 175.49 1n3z s LYS 41 N 2.41 4.18 0.28 0.00 2.20 -0.52 -4.90 119.74 123.40 1n3z s LYS 41 Ca 0.29 2.43 0.03 0.00 -0.36 0.00 0.00 55.97 58.37 1n3z s LYS 41 Cb -0.16 -3.43 0.41 0.00 -1.51 0.00 0.00 37.83 33.14 1n3z s LYS 41 CO 0.09 -0.73 1.71 -1.00 -0.36 0.00 0.00 175.35 175.06 1n3z h PRO 42 N 7.85 0.44 -3.39 4.03 0.13 -1.95 -3.44 132.00 135.68 1n3z h PRO 42 Ca -0.43 -0.18 -0.19 0.00 -0.87 0.00 0.00 66.00 64.33 1n3z h PRO 42 Cb 1.21 -0.02 -0.27 0.00 0.13 0.00 0.00 31.00 32.05 1n3z h PRO 42 CO 0.93 0.69 -0.55 0.08 -0.23 0.00 0.00 178.00 178.92 1n3z s VAL 43 N -4.43 0.00 -0.02 1.56 1.01 -1.26 -1.03 120.40 116.23 1n3z s VAL 43 Ca -0.06 -0.01 -0.22 0.00 0.00 0.00 0.00 61.98 61.69 1n3z s VAL 43 Cb 0.14 -0.21 0.04 0.00 0.00 0.00 0.00 36.38 36.35 1n3z s VAL 43 CO 0.79 -0.01 0.47 0.21 0.00 0.00 0.00 175.10 176.56 1n3z s ASN 44 N 0.05 -0.39 -0.04 3.32 2.47 -0.48 -5.00 114.94 114.87 1n3z s ASN 44 Ca -0.00 0.33 0.05 0.00 0.42 0.00 0.00 52.86 53.66 1n3z s ASN 44 Cb -0.01 0.41 -0.01 0.00 -1.45 0.00 0.00 41.25 40.19 1n3z s ASN 44 CO 0.00 -0.53 -0.20 -0.89 -3.72 0.00 0.00 177.10 171.75 1n3z s THR 45 N -1.38 1.67 -0.06 -5.21 2.01 -1.26 -0.61 115.64 110.81 1n3z s THR 45 Ca -0.12 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.02 1n3z s THR 45 Cb -0.03 -1.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 1n3z s THR 45 CO 0.06 0.47 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.07 1n3z s PHE 46 N -0.13 3.04 -0.14 4.92 0.08 -0.30 -4.35 117.98 121.10 1n3z s PHE 46 Ca -0.01 0.09 -0.01 0.00 0.12 0.00 0.00 56.93 57.12 1n3z s PHE 46 Cb -0.12 -1.73 -0.02 0.00 -0.57 0.00 0.00 43.02 40.59 1n3z s PHE 46 CO 0.02 0.41 -0.11 0.08 -0.10 0.00 0.00 175.22 175.52 1n3z s VAL 47 N -0.89 3.20 -0.28 -0.44 1.01 0.15 -1.36 120.40 121.79 1n3z s VAL 47 Ca 0.14 -0.60 0.13 0.00 0.00 0.00 0.00 61.98 61.64 1n3z s VAL 47 Cb -0.11 -2.36 0.80 0.00 0.00 0.00 0.00 36.38 34.70 1n3z s VAL 47 CO 0.03 0.51 1.76 1.41 0.00 0.00 0.00 175.10 178.82 1n3z n HIS 48 N 3.59 2.19 -2.93 5.22 -0.00 0.40 -1.15 115.22 122.54 1n3z n HIS 48 Ca -0.18 -0.86 -0.21 0.00 -0.00 0.00 0.00 57.72 56.48 1n3z n HIS 48 Cb 0.53 -0.57 0.02 0.00 -0.00 0.00 0.00 29.99 29.97 1n3z n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1n3z s GLU 49 N -2.81 2.84 0.69 -0.41 0.41 -1.26 -2.17 118.70 115.99 1n3z s GLU 49 Ca 0.54 -0.79 -0.15 0.00 -0.41 0.00 0.00 54.97 54.16 1n3z s GLU 49 Cb 0.42 -2.60 0.02 0.00 -1.78 0.00 0.00 34.13 30.19 1n3z s GLU 49 CO 0.15 -0.39 1.17 -1.54 -0.49 0.00 0.00 175.26 174.17 1n3z s SER 50 N -4.31 4.58 0.40 -0.19 1.04 -1.26 -4.12 113.70 109.84 1n3z s SER 50 Ca 0.52 2.24 0.07 0.00 0.48 0.00 0.00 55.95 59.26 1n3z s SER 50 Cb -0.10 -2.58 0.84 0.00 0.10 0.00 0.00 66.02 64.28 1n3z s SER 50 CO 0.36 -2.00 2.04 0.25 0.98 0.00 0.00 173.24 174.88 1n3z h LEU 51 N -0.08 0.51 -0.52 2.42 5.85 -1.97 -1.67 115.31 119.85 1n3z h LEU 51 Ca -0.48 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 1n3z h LEU 51 Cb 1.28 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1n3z h LEU 51 CO 0.52 0.36 0.23 0.00 -0.34 0.00 0.00 178.44 179.21 1n3z h ALA 52 N 1.71 0.67 -0.25 1.25 0.00 -1.99 -0.18 119.26 120.48 1n3z h ALA 52 Ca 0.18 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1n3z h ALA 52 Cb -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1n3z h ALA 52 CO -0.04 0.26 -0.21 -0.44 0.00 0.00 0.00 179.25 178.81 1n3z h ASP 53 N 0.70 0.44 -0.07 0.00 3.32 -1.68 -2.12 116.42 117.00 1n3z h ASP 53 Ca 0.18 -0.14 -0.17 0.00 0.02 0.00 0.00 57.03 56.92 1n3z h ASP 53 Cb 0.15 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.59 1n3z h ASP 53 CO -0.02 0.67 -0.61 0.58 -1.72 0.00 0.00 179.24 178.13 1n3z h VAL 54 N 0.40 1.36 0.00 -1.35 2.07 -1.11 -3.11 116.25 114.51 1n3z h VAL 54 Ca 0.07 -1.95 -0.01 0.00 0.82 0.00 0.00 66.70 65.63 1n3z h VAL 54 Cb 0.60 2.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1n3z h VAL 54 CO 0.04 0.59 -0.02 0.11 0.02 0.00 0.00 177.57 178.30 1n3z h LYS 55 N 0.14 0.00 0.00 1.57 1.57 -0.95 -1.83 116.57 117.07 1n3z h LYS 55 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1n3z h LYS 55 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1n3z h LYS 55 CO 0.12 0.02 0.00 0.00 -0.57 0.00 0.00 179.45 179.03 1n3z h ALA 56 N 1.98 1.00 0.00 3.86 0.00 -1.31 -2.51 119.26 122.28 1n3z h ALA 56 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1n3z h ALA 56 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1n3z h ALA 56 CO 0.00 0.00 -0.25 0.28 0.00 0.00 0.00 179.25 179.29 1n3z h VAL 57 N 0.00 1.02 0.00 0.00 2.07 -1.37 -2.42 116.25 115.55 1n3z h VAL 57 Ca 0.00 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1n3z h VAL 57 Cb 0.38 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1n3z h VAL 57 CO 0.00 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.83 1n3z n SER 59 N -1.63 1.96 0.00 0.00 3.41 -0.91 -5.01 113.62 111.44 1n3z n SER 59 Ca 0.01 -2.90 0.00 0.00 -0.26 0.00 0.00 58.87 55.72 1n3z n SER 59 Cb 0.05 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1n3z n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n3z n GLN 60 N -1.19 2.61 -2.44 4.33 6.02 0.32 -5.03 117.38 121.99 1n3z n GLN 60 Ca 0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.69 1n3z n GLN 60 Cb 0.65 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.88 1n3z n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1n3z s LYS 61 N 4.87 4.16 0.14 -1.09 2.20 -1.00 -4.86 119.74 124.16 1n3z s LYS 61 Ca 0.00 1.54 -0.30 0.00 -0.36 0.00 0.00 55.97 56.85 1n3z s LYS 61 Cb 0.00 -3.78 -0.07 0.00 -1.51 0.00 0.00 37.83 32.47 1n3z s LYS 61 CO 0.00 -0.79 1.15 0.21 -0.36 0.00 0.00 175.35 175.56 1n3z s LYS 62 N 3.63 4.51 0.15 4.03 2.20 -1.26 0.02 119.74 133.01 1n3z s LYS 62 Ca 0.54 1.77 -0.03 0.00 -0.36 0.00 0.00 55.97 57.89 1n3z s LYS 62 Cb -0.20 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.79 1n3z s LYS 62 CO 0.16 -0.08 0.11 0.14 -0.36 0.00 0.00 175.35 175.32 1n3z s VAL 63 N 0.28 0.08 0.38 4.02 -7.23 -0.20 -4.88 120.40 112.83 1n3z s VAL 63 Ca 0.53 -1.83 -0.22 0.00 -1.81 0.00 0.00 61.98 58.65 1n3z s VAL 63 Cb -0.30 -2.09 -0.10 0.00 0.56 0.00 0.00 36.38 34.44 1n3z s VAL 63 CO 0.33 -0.35 0.92 -0.89 -0.31 0.00 0.00 175.10 174.80 1n3z s THR 64 N -4.05 4.36 0.52 5.32 2.01 -1.26 -3.56 115.64 118.97 1n3z s THR 64 Ca 0.25 1.55 -0.14 0.00 0.31 0.00 0.00 61.69 63.67 1n3z s THR 64 Cb 0.07 -3.75 -0.07 0.00 0.01 0.00 0.00 72.50 68.76 1n3z s THR 64 CO 0.03 -0.13 0.95 0.00 -0.69 0.00 0.00 174.62 174.78 1n3z h LYS 66 N 0.66 0.51 -0.00 0.00 1.79 -1.91 -0.33 116.57 117.28 1n3z h LYS 66 Ca -0.46 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1n3z h LYS 66 Cb 1.19 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1n3z h LYS 66 CO 0.62 0.34 -0.02 0.27 -1.08 0.00 0.00 179.45 179.57 1n3z n ASN 67 N -4.47 0.42 0.00 0.86 6.94 -1.26 -4.91 115.26 112.83 1n3z n ASN 67 Ca 0.06 -0.96 0.00 0.00 -0.02 0.00 0.00 54.58 53.66 1n3z n ASN 67 Cb 0.18 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 1n3z n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1n3z n GLY 68 N 1.12 1.61 3.72 4.83 0.00 -0.13 -5.09 105.19 111.25 1n3z n GLY 68 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1n3z n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n3z s GLN 69 N -0.73 1.61 -0.05 1.61 -0.21 -1.26 -4.70 119.66 115.94 1n3z s GLN 69 Ca 0.00 1.13 0.10 0.00 0.02 0.00 0.00 55.36 56.61 1n3z s GLN 69 Cb 0.00 -1.83 0.28 0.00 1.00 0.00 0.00 33.01 32.47 1n3z s GLN 69 CO 0.00 -2.08 1.22 2.41 -2.12 0.00 0.00 175.29 174.72 1n3z n THR 70 N -3.82 1.34 -0.23 -0.19 -1.04 -1.26 -0.31 114.28 108.77 1n3z n THR 70 Ca 0.09 -1.29 -0.12 0.00 -2.04 0.00 0.00 64.05 60.69 1n3z n THR 70 Cb 0.53 0.28 0.07 0.00 -1.82 0.00 0.00 70.33 69.40 1n3z n THR 70 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1n3z n ASN 71 N -0.09 4.13 -4.74 8.00 6.94 -1.26 -4.75 115.26 123.48 1n3z n ASN 71 Ca 0.11 -2.81 -0.29 0.00 -0.02 0.00 0.00 54.58 51.57 1n3z n ASN 71 Cb 0.50 -0.76 -0.07 0.00 -2.36 0.00 0.00 39.78 37.09 1n3z n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1n3z s TYR 73 N -1.46 0.10 -0.12 0.00 1.51 -0.13 -1.04 117.35 116.21 1n3z s TYR 73 Ca 0.28 -0.18 -0.03 0.00 -1.01 0.00 0.00 57.07 56.13 1n3z s TYR 73 Cb -0.11 -0.07 -0.03 0.00 -0.11 0.00 0.00 41.96 41.63 1n3z s TYR 73 CO 0.21 -0.06 -0.01 -1.14 -1.11 0.00 0.00 175.55 173.44 1n3z s GLN 74 N -0.50 3.31 0.45 -0.62 0.74 0.10 -1.04 119.66 122.11 1n3z s GLN 74 Ca -0.05 -0.44 -0.25 0.00 0.05 0.00 0.00 55.36 54.66 1n3z s GLN 74 Cb -0.03 -2.87 -0.08 0.00 1.10 0.00 0.00 33.01 31.12 1n3z s GLN 74 CO -0.00 0.50 1.40 -1.54 -0.55 0.00 0.00 175.29 175.10 1n3z s SER 75 N -0.33 5.88 0.39 6.67 1.04 -0.23 -2.36 113.70 124.76 1n3z s SER 75 Ca 0.06 2.86 0.19 0.00 0.48 0.00 0.00 55.95 59.54 1n3z s SER 75 Cb -0.12 -2.65 0.77 0.00 0.10 0.00 0.00 66.02 64.12 1n3z s SER 75 CO 0.02 -1.17 1.78 0.07 0.98 0.00 0.00 173.24 174.93 1n3z h LYS 76 N 2.28 0.00 -5.68 4.02 2.10 -1.94 -3.45 116.57 113.91 1n3z h LYS 76 Ca -0.51 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 57.59 1n3z h LYS 76 Cb 1.27 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.46 1n3z h LYS 76 CO 0.61 0.35 -0.67 -1.12 -2.00 0.00 0.00 179.45 176.62 1n3z s SER 77 N -6.47 3.24 0.71 7.07 0.01 -1.26 -5.12 113.70 111.88 1n3z s SER 77 Ca -0.01 -1.22 -0.12 0.00 1.31 0.00 0.00 55.95 55.91 1n3z s SER 77 Cb 0.12 -0.26 0.02 0.00 0.21 0.00 0.00 66.02 66.11 1n3z s SER 77 CO 0.68 -0.31 1.08 0.42 0.41 0.00 0.00 173.24 175.51 1n3z s THR 78 N -2.84 3.61 0.09 1.44 -4.23 -1.26 -4.53 115.64 107.91 1n3z s THR 78 Ca 0.32 0.57 0.03 0.00 -1.18 0.00 0.00 61.69 61.42 1n3z s THR 78 Cb 0.04 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.69 1n3z s THR 78 CO 0.15 -0.63 -0.08 -0.04 -0.54 0.00 0.00 174.62 173.47 1n3z s MET 79 N -4.77 0.78 -0.29 3.99 -1.94 0.11 -4.88 119.30 112.31 1n3z s MET 79 Ca 0.61 -1.16 -0.28 0.00 -1.71 0.00 0.00 55.69 53.15 1n3z s MET 79 Cb -0.16 -0.35 0.01 0.00 2.01 0.00 0.00 34.83 36.34 1n3z s MET 79 CO 0.52 0.03 1.02 1.03 -0.01 0.00 0.00 175.02 177.61 1n3z s ARG 80 N -3.00 4.11 0.17 2.03 0.52 -1.26 -1.70 118.95 119.83 1n3z s ARG 80 Ca 0.05 1.08 0.01 0.00 -0.52 0.00 0.00 55.73 56.35 1n3z s ARG 80 Cb -0.01 -3.70 -0.05 0.00 0.52 0.00 0.00 34.95 31.71 1n3z s ARG 80 CO -0.02 -0.78 0.03 0.96 0.02 0.00 0.00 175.30 175.51 1n3z s ILE 81 N 3.40 0.52 -0.07 1.52 -4.36 -0.64 -0.46 121.20 121.12 1n3z s ILE 81 Ca 0.43 -1.97 0.01 0.00 -0.26 0.00 0.00 60.65 58.86 1n3z s ILE 81 Cb -0.13 -2.17 0.02 0.00 1.25 0.00 0.00 42.46 41.43 1n3z s ILE 81 CO 0.12 -0.41 -0.08 -0.89 0.24 0.00 0.00 174.94 173.92 1n3z s THR 82 N -3.76 0.88 -0.16 8.37 2.01 -0.46 -1.41 115.64 121.10 1n3z s THR 82 Ca 0.26 -0.30 -0.11 0.00 0.31 0.00 0.00 61.69 61.85 1n3z s THR 82 Cb 0.07 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.67 1n3z s THR 82 CO 0.05 0.31 0.21 -1.81 -0.69 0.00 0.00 174.62 172.69 1n3z s ASP 83 N 1.00 6.36 -0.16 3.53 1.01 0.84 -1.15 116.67 128.10 1n3z s ASP 83 Ca -0.09 0.41 -0.01 0.00 0.71 0.00 0.00 52.55 53.57 1n3z s ASP 83 Cb -0.15 -2.13 -0.01 0.00 1.01 0.00 0.00 42.92 41.64 1n3z s ASP 83 CO -0.00 0.18 -0.10 0.00 0.21 0.00 0.00 175.17 175.46 1n3z s ARG 85 N 0.79 1.12 0.32 0.00 0.52 -0.71 -1.38 118.95 119.61 1n3z s ARG 85 Ca -0.04 -0.29 -0.29 0.00 -0.52 0.00 0.00 55.73 54.59 1n3z s ARG 85 Cb -0.15 -1.02 -0.12 0.00 0.52 0.00 0.00 34.95 34.19 1n3z s ARG 85 CO 0.01 0.05 1.54 -1.91 0.02 0.00 0.00 175.30 175.01 1n3z n GLU 86 N 3.58 2.63 -2.39 3.54 2.13 -0.20 -0.33 120.64 129.60 1n3z n GLU 86 Ca -0.21 0.93 -0.25 0.00 0.66 0.00 0.00 57.16 58.29 1n3z n GLU 86 Cb 0.53 -2.68 0.04 0.00 0.27 0.00 0.00 31.44 29.60 1n3z n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1n3z s THR 87 N -0.40 3.04 0.43 6.31 -4.23 -0.18 -4.80 115.64 115.81 1n3z s THR 87 Ca 0.60 -0.21 0.12 0.00 -1.18 0.00 0.00 61.69 61.02 1n3z s THR 87 Cb -0.50 -3.23 0.19 0.00 1.34 0.00 0.00 72.50 70.30 1n3z s THR 87 CO 0.54 -0.23 1.98 1.23 -0.54 0.00 0.00 174.62 177.61 1n3z h GLY 88 N -0.26 0.15 2.00 3.99 0.00 -1.94 -2.29 103.07 104.71 1n3z h GLY 88 Ca -0.45 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1n3z h GLY 88 CO 0.59 0.07 0.00 1.44 0.00 0.00 0.00 176.54 178.65 1n3z n SER 89 N -4.34 0.17 -4.76 0.19 7.64 -1.26 -4.85 113.62 106.41 1n3z n SER 89 Ca -0.01 0.52 -0.41 0.00 1.01 0.00 0.00 58.87 59.97 1n3z n SER 89 Cb 0.22 -0.56 -0.01 0.00 -1.01 0.00 0.00 64.21 62.85 1n3z n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1n3z s SER 90 N -3.32 6.41 -0.30 6.43 0.15 -0.86 -4.93 113.70 117.28 1n3z s SER 90 Ca 0.12 2.94 -0.00 0.00 0.70 0.00 0.00 55.95 59.71 1n3z s SER 90 Cb 0.16 -2.65 0.19 0.00 -1.71 0.00 0.00 66.02 62.01 1n3z s SER 90 CO 0.49 -0.86 0.60 -0.75 1.20 0.00 0.00 173.24 173.92 1n3z s LYS 91 N -1.09 0.57 0.29 5.44 2.20 -0.81 -4.92 119.74 121.43 1n3z s LYS 91 Ca 0.59 0.96 -0.28 0.00 -0.36 0.00 0.00 55.97 56.88 1n3z s LYS 91 Cb -0.46 0.53 -0.14 0.00 -1.51 0.00 0.00 37.83 36.24 1n3z s LYS 91 CO 0.53 -0.66 1.05 0.98 -0.36 0.00 0.00 175.35 176.89 1n3z n TYR 92 N 5.43 1.41 0.70 4.03 9.36 -1.26 0.46 117.16 137.28 1n3z n TYR 92 Ca -0.00 0.68 0.02 0.00 3.32 0.00 0.00 57.90 61.92 1n3z n TYR 92 Cb 0.51 -2.27 0.11 0.00 -0.63 0.00 0.00 39.34 37.06 1n3z n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1n3z n PRO 93 N 0.74 1.94 -3.28 2.98 -0.04 -1.26 -4.96 135.00 131.12 1n3z n PRO 93 Ca 0.09 -0.85 -0.39 0.00 -0.04 0.00 0.00 63.50 62.31 1n3z n PRO 93 Cb 0.32 -1.57 -0.02 0.00 -0.04 0.00 0.00 33.50 32.19 1n3z n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1n3z n ASN 94 N 0.16 5.31 -4.78 3.54 3.02 0.17 -5.05 115.26 117.63 1n3z n ASN 94 Ca 0.08 -3.29 -0.34 0.00 -0.03 0.00 0.00 54.58 51.00 1n3z n ASN 94 Cb 0.43 -1.14 0.01 0.00 -0.61 0.00 0.00 39.78 38.46 1n3z n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n3z s ALA 96 N -1.98 -0.78 0.05 0.00 0.00 -1.26 -4.88 121.76 112.91 1n3z s ALA 96 Ca 0.70 1.03 0.05 0.00 0.00 0.00 0.00 51.96 53.74 1n3z s ALA 96 Cb -0.21 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 1n3z s ALA 96 CO 0.30 -0.18 -0.14 0.71 0.00 0.00 0.00 175.76 176.45 1n3z s TYR 97 N 0.63 1.19 -0.18 0.00 1.51 -1.26 -1.01 117.35 118.24 1n3z s TYR 97 Ca -0.04 -0.41 -0.12 0.00 -1.01 0.00 0.00 57.07 55.50 1n3z s TYR 97 Cb -0.05 -0.69 -0.05 0.00 -0.11 0.00 0.00 41.96 41.06 1n3z s TYR 97 CO -0.04 0.04 0.21 0.21 -1.11 0.00 0.00 175.55 174.86 1n3z s LYS 98 N -1.44 4.22 -0.19 -0.62 2.20 0.54 -4.63 119.74 119.82 1n3z s LYS 98 Ca -0.01 -0.07 -0.09 0.00 -0.36 0.00 0.00 55.97 55.45 1n3z s LYS 98 Cb -0.09 -3.42 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 1n3z s LYS 98 CO 0.02 0.27 0.11 0.99 -0.36 0.00 0.00 175.35 176.38 1n3z s THR 99 N 0.41 5.22 -0.10 3.43 2.01 -1.26 -1.73 115.64 123.61 1n3z s THR 99 Ca 0.12 0.12 -0.03 0.00 0.31 0.00 0.00 61.69 62.21 1n3z s THR 99 Cb -0.12 -3.36 0.04 0.00 0.01 0.00 0.00 72.50 69.07 1n3z s THR 99 CO 0.01 0.46 0.05 -0.89 -0.69 0.00 0.00 174.62 173.56 1n3z s THR 100 N 0.26 0.10 0.02 -0.82 2.01 -0.62 -4.99 115.64 111.60 1n3z s THR 100 Ca 0.07 0.06 -0.14 0.00 0.31 0.00 0.00 61.69 61.99 1n3z s THR 100 Cb -0.11 -0.48 -0.06 0.00 0.01 0.00 0.00 72.50 71.86 1n3z s THR 100 CO -0.01 0.02 0.41 -1.10 -0.69 0.00 0.00 174.62 173.25 1n3z s GLN 101 N 2.07 3.89 0.26 4.92 -0.21 -1.26 -0.11 119.66 129.23 1n3z s GLN 101 Ca 0.03 0.38 -0.15 0.00 0.02 0.00 0.00 55.36 55.64 1n3z s GLN 101 Cb -0.14 -3.18 0.00 0.00 1.00 0.00 0.00 33.01 30.70 1n3z s GLN 101 CO -0.06 0.67 0.56 0.14 -2.12 0.00 0.00 175.29 174.47 1n3z s VAL 102 N -1.14 0.00 -0.22 1.09 -7.23 -0.50 -4.99 120.40 107.42 1n3z s VAL 102 Ca 0.26 -1.29 0.01 0.00 -1.81 0.00 0.00 61.98 59.15 1n3z s VAL 102 Cb -0.16 -2.19 0.05 0.00 0.56 0.00 0.00 36.38 34.64 1n3z s VAL 102 CO 0.14 0.00 -0.11 -1.61 -0.31 0.00 0.00 175.10 173.22 1n3z s GLU 103 N -3.90 2.11 0.23 4.82 2.02 -1.26 -1.62 118.70 121.11 1n3z s GLU 103 Ca 0.19 -0.97 -0.07 0.00 0.02 0.00 0.00 54.97 54.14 1n3z s GLU 103 Cb -0.02 -2.56 -0.02 0.00 0.10 0.00 0.00 34.13 31.63 1n3z s GLU 103 CO 0.09 -0.46 0.32 0.15 0.02 0.00 0.00 175.26 175.38 1n3z s LYS 104 N 1.32 1.42 0.44 1.61 1.02 -0.69 -4.80 119.74 120.07 1n3z s LYS 104 Ca -0.03 -1.46 -0.19 0.00 0.02 0.00 0.00 55.97 54.31 1n3z s LYS 104 Cb -0.17 0.38 -0.10 0.00 -0.52 0.00 0.00 37.83 37.42 1n3z s LYS 104 CO -0.08 -0.54 0.94 -1.01 -0.92 0.00 0.00 175.35 173.74 1n3z s HIS 105 N -4.01 3.36 0.13 3.18 3.76 -0.30 0.08 115.29 121.48 1n3z s HIS 105 Ca 0.30 1.52 0.08 0.00 -0.15 0.00 0.00 55.06 56.81 1n3z s HIS 105 Cb 0.03 -2.79 -0.04 0.00 1.11 0.00 0.00 32.58 30.88 1n3z s HIS 105 CO 0.11 -0.17 -0.10 0.96 -0.85 0.00 0.00 174.74 174.70 1n3z s ILE 106 N -2.30 3.31 -0.12 0.60 -4.36 -1.26 -0.21 121.20 116.86 1n3z s ILE 106 Ca 0.60 -1.39 0.02 0.00 -0.26 0.00 0.00 60.65 59.62 1n3z s ILE 106 Cb -0.09 -2.58 0.02 0.00 1.25 0.00 0.00 42.46 41.05 1n3z s ILE 106 CO 0.19 0.04 -0.16 -0.63 0.24 0.00 0.00 174.94 174.63 1n3z s ILE 107 N -1.36 1.59 0.10 8.37 1.01 0.99 -1.06 121.20 130.84 1n3z s ILE 107 Ca 0.22 -0.69 0.06 0.00 0.00 0.00 0.00 60.65 60.25 1n3z s ILE 107 Cb -0.10 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 1n3z s ILE 107 CO 0.14 0.46 -0.16 0.68 0.00 0.00 0.00 174.94 176.06 1n3z s VAL 108 N 1.07 1.37 0.14 2.92 -7.23 -0.21 -0.44 120.40 118.02 1n3z s VAL 108 Ca -0.04 -1.50 -0.14 0.00 -1.81 0.00 0.00 61.98 58.49 1n3z s VAL 108 Cb -0.15 -1.35 -0.07 0.00 0.56 0.00 0.00 36.38 35.37 1n3z s VAL 108 CO -0.04 -0.23 0.54 0.00 -0.31 0.00 0.00 175.10 175.07 1n3z s ALA 109 N -1.48 3.58 0.07 1.32 0.00 -0.21 -0.96 121.76 124.08 1n3z s ALA 109 Ca 0.04 -0.14 0.08 0.00 0.00 0.00 0.00 51.96 51.94 1n3z s ALA 109 Cb -0.09 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.49 1n3z s ALA 109 CO 0.03 0.46 -0.21 0.00 0.00 0.00 0.00 175.76 176.04 1n3z s GLY 111 N -1.46 -0.15 0.00 0.00 0.00 -0.01 -4.86 107.32 100.84 1n3z s GLY 111 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.57 1n3z s GLY 111 CO 0.03 -0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.67 1n3z n GLY 112 N -0.45 -0.52 2.86 0.20 0.00 -1.26 -1.31 105.19 104.70 1n3z n GLY 112 Ca -0.05 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 1n3z n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n3z s LYS 113 N -1.45 1.25 0.66 1.61 -0.14 -1.26 -1.97 119.74 118.44 1n3z s LYS 113 Ca 0.00 -0.77 -0.15 0.00 -1.36 0.00 0.00 55.97 53.69 1n3z s LYS 113 Cb 0.00 -2.41 -0.00 0.00 -1.68 0.00 0.00 37.83 33.74 1n3z s LYS 113 CO 0.00 -0.61 1.10 -1.25 -0.76 0.00 0.00 175.35 173.83 1n3z s PRO 114 N 1.57 2.82 -0.10 -1.68 0.04 -1.26 -5.07 135.00 131.32 1n3z s PRO 114 Ca -0.04 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.07 1n3z s PRO 114 Cb -0.18 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 1n3z s PRO 114 CO -0.07 -1.23 1.75 0.45 0.04 0.00 0.00 177.00 177.94 1n3z s SER 115 N -2.65 6.43 0.19 6.66 0.15 -0.83 -4.87 113.70 118.78 1n3z s SER 115 Ca 0.66 2.10 0.03 0.00 0.70 0.00 0.00 55.95 59.45 1n3z s SER 115 Cb -0.20 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.53 1n3z s SER 115 CO 0.42 -1.14 -0.03 0.68 1.20 0.00 0.00 173.24 174.36 1n3z s VAL 116 N 4.86 0.97 0.24 4.45 -7.23 -0.43 -4.83 120.40 118.43 1n3z s VAL 116 Ca 0.78 -2.02 -0.31 0.00 -1.81 0.00 0.00 61.98 58.62 1n3z s VAL 116 Cb -0.32 -2.13 -0.12 0.00 0.56 0.00 0.00 36.38 34.37 1n3z s VAL 116 CO 0.32 -0.49 1.65 -2.84 -0.31 0.00 0.00 175.10 173.43 1n3z s PRO 117 N -3.84 4.13 0.00 4.82 0.02 -1.26 -0.83 135.00 138.03 1n3z s PRO 117 Ca 0.24 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.83 1n3z s PRO 117 Cb 0.05 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.51 1n3z s PRO 117 CO 0.05 -0.69 0.60 1.33 -0.33 0.00 0.00 177.00 177.96 1n3z n VAL 118 N 3.18 0.34 -3.64 3.83 0.24 0.67 -4.38 118.33 118.57 1n3z n VAL 118 Ca 0.12 -0.52 -0.05 0.00 -2.04 0.00 0.00 64.34 61.85 1n3z n VAL 118 Cb 0.36 0.98 -0.07 0.00 -1.47 0.00 0.00 33.84 33.65 1n3z n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1n3z s HIS 119 N -0.34 -0.38 -0.40 6.34 5.65 -1.20 -4.79 115.29 120.16 1n3z s HIS 119 Ca 0.00 0.85 -0.21 0.00 0.25 0.00 0.00 55.06 55.95 1n3z s HIS 119 Cb 0.00 0.35 0.01 0.00 -1.18 0.00 0.00 32.58 31.77 1n3z s HIS 119 CO 0.00 -0.19 0.66 0.12 -0.65 0.00 0.00 174.74 174.69 1n3z s PHE 120 N 0.59 3.10 -0.09 3.88 2.19 -1.26 -1.04 117.98 125.34 1n3z s PHE 120 Ca -0.01 0.17 -0.10 0.00 0.33 0.00 0.00 56.93 57.33 1n3z s PHE 120 Cb -0.04 -3.29 -0.28 0.00 -1.31 0.00 0.00 43.02 38.09 1n3z s PHE 120 CO -0.11 -0.77 0.50 0.22 1.83 0.00 0.00 175.22 176.89 1n3z h ASP 121 N 8.69 0.50 -5.36 6.13 3.58 -1.09 -3.48 116.42 125.38 1n3z h ASP 121 Ca -0.26 -0.94 0.32 0.00 0.42 0.00 0.00 57.03 56.58 1n3z h ASP 121 Cb 1.10 -0.16 -0.14 0.00 1.72 0.00 0.00 39.33 41.85 1n3z h ASP 121 CO 0.88 1.81 0.85 0.00 -2.88 0.00 0.00 179.24 179.90 1n3z s ALA 122 N -2.56 -2.23 0.09 -0.78 0.00 -0.93 -4.91 121.76 110.44 1n3z s ALA 122 Ca -0.20 1.00 0.09 0.00 0.00 0.00 0.00 51.96 52.85 1n3z s ALA 122 Cb 0.06 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 1n3z s ALA 122 CO 0.80 -0.92 -0.23 -1.54 0.00 0.00 0.00 175.76 173.87 1n3z s SER 123 N -2.75 2.80 0.00 0.00 1.04 -1.26 -0.00 113.70 113.52 1n3z s SER 123 Ca 0.13 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1n3z s SER 123 Cb 0.04 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1n3z s SER 123 CO -0.04 0.13 0.00 0.55 0.98 0.00 0.00 173.24 174.86