#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q3v h LYS 20 N 0.00 0.09 -0.54 1.64 1.57 -2.03 1.00 116.57 118.30 2q3v h LYS 20 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2q3v h LYS 20 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2q3v h LYS 20 CO 0.00 0.06 0.00 0.27 -0.57 0.00 0.00 179.45 179.21 2q3v n ASN 21 N -4.30 3.88 -4.74 0.86 6.94 -1.26 -4.95 115.26 111.69 2q3v n ASN 21 Ca 0.26 -2.25 -0.34 0.00 -0.02 0.00 0.00 54.58 52.24 2q3v n ASN 21 Cb 1.18 -0.44 -0.08 0.00 -2.36 0.00 0.00 39.78 38.08 2q3v n ASN 21 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 2q3v s ARG 22 N -1.46 3.00 -0.24 -3.83 3.52 0.34 -0.65 118.95 119.64 2q3v s ARG 22 Ca 0.41 -0.47 0.02 0.00 -0.13 0.00 0.00 55.73 55.56 2q3v s ARG 22 Cb 0.24 -2.82 0.05 0.00 -1.56 0.00 0.00 34.95 30.87 2q3v s ARG 22 CO 0.22 0.67 -0.11 0.42 -0.81 0.00 0.00 175.30 175.69 2q3v s ILE 23 N -1.08 1.99 -0.16 4.11 1.01 0.11 -4.92 121.20 122.26 2q3v s ILE 23 Ca 0.19 -1.42 -0.18 0.00 0.00 0.00 0.00 60.65 59.24 2q3v s ILE 23 Cb -0.12 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 2q3v s ILE 23 CO 0.09 0.04 0.49 -1.58 0.00 0.00 0.00 174.94 173.99 2q3v s GLN 24 N 1.20 4.26 -0.49 2.79 -0.44 -1.26 -1.50 119.66 124.22 2q3v s GLN 24 Ca -0.06 0.41 -0.16 0.00 -2.50 0.00 0.00 55.36 53.05 2q3v s GLN 24 Cb -0.19 -3.50 0.08 0.00 -1.64 0.00 0.00 33.01 27.76 2q3v s GLN 24 CO -0.06 -0.00 0.45 0.08 0.50 0.00 0.00 175.29 176.25 2q3v s VAL 25 N 1.16 5.18 0.00 1.34 1.01 -0.39 -4.81 120.40 123.88 2q3v s VAL 25 Ca 0.24 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.16 2q3v s VAL 25 Cb -0.15 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.04 2q3v s VAL 25 CO 0.10 -0.67 0.00 -1.54 0.00 0.00 0.00 175.10 172.99 2q3v n SER 26 N 5.36 0.00 -4.55 3.32 3.41 -1.26 -4.52 113.62 115.38 2q3v n SER 26 Ca -0.12 -0.78 -0.42 0.00 -0.26 0.00 0.00 58.87 57.29 2q3v n SER 26 Cb 0.43 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 2q3v n SER 26 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2q3v s ASN 27 N 0.00 6.38 0.38 4.04 3.84 -1.26 -4.94 114.94 123.38 2q3v s ASN 27 Ca 0.00 -0.06 0.28 0.00 0.21 0.00 0.00 52.86 53.29 2q3v s ASN 27 Cb 0.00 -2.32 1.09 0.00 -0.55 0.00 0.00 41.25 39.47 2q3v s ASN 27 CO 0.00 -0.67 1.82 0.71 -2.79 0.00 0.00 177.10 176.17 2q3v h THR 28 N 5.76 0.00 0.00 -5.21 1.35 -2.04 -2.94 112.91 109.83 2q3v h THR 28 Ca -0.26 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 2q3v h THR 28 Cb 1.10 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 2q3v h THR 28 CO 0.86 0.00 -0.36 0.29 -0.25 0.00 0.00 175.52 176.05 2q3v n LYS 29 N -2.63 0.13 -2.55 4.72 5.02 -1.26 -4.89 118.16 116.70 2q3v n LYS 29 Ca 0.02 0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.95 2q3v n LYS 29 Cb 0.29 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 2q3v n LYS 29 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2q3v s LYS 30 N -3.07 4.51 0.64 1.97 -0.14 -1.11 -5.02 119.74 117.53 2q3v s LYS 30 Ca 0.10 1.63 -0.16 0.00 -1.36 0.00 0.00 55.97 56.17 2q3v s LYS 30 Cb 0.16 -3.38 -0.01 0.00 -1.68 0.00 0.00 37.83 32.92 2q3v s LYS 30 CO 0.66 -0.11 1.15 -2.14 -0.76 0.00 0.00 175.35 174.14 2q3v s PRO 31 N 0.78 2.80 0.17 -1.68 0.02 -1.26 -4.93 135.00 130.90 2q3v s PRO 31 Ca 0.54 1.58 -0.16 0.00 0.02 0.00 0.00 61.00 62.98 2q3v s PRO 31 Cb -0.26 -1.93 0.13 0.00 0.02 0.00 0.00 34.50 32.45 2q3v s PRO 31 CO 0.30 -1.29 1.67 1.25 -0.33 0.00 0.00 177.00 178.60 2q3v h LEU 32 N 0.33 -0.36 -2.60 -5.54 5.85 -1.99 -1.67 115.31 109.32 2q3v h LEU 32 Ca -0.48 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2q3v h LEU 32 Cb 1.27 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.55 2q3v h LEU 32 CO 0.54 -0.13 0.13 -0.26 -0.34 0.00 0.00 178.44 178.38 2q3v h PHE 33 N 0.02 0.00 -0.27 1.25 -1.00 -1.98 0.28 116.94 115.24 2q3v h PHE 33 Ca 0.21 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.99 2q3v h PHE 33 Cb 0.33 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.87 2q3v h PHE 33 CO -0.36 0.00 0.14 0.35 -1.61 0.00 0.00 178.31 176.83 2q3v h PHE 34 N 0.00 0.37 -0.12 -0.55 3.57 -1.66 0.60 116.94 119.16 2q3v h PHE 34 Ca 0.00 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.35 2q3v h PHE 34 Cb 0.26 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2q3v h PHE 34 CO 0.00 0.33 -0.55 1.88 -2.23 0.00 0.00 178.31 177.74 2q3v h TYR 35 N 0.31 0.43 -0.01 0.41 0.05 -0.58 0.12 116.97 117.70 2q3v h TYR 35 Ca 0.09 -0.15 -0.00 0.00 0.05 0.00 0.00 58.73 58.72 2q3v h TYR 35 Cb 0.08 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 2q3v h TYR 35 CO -0.03 0.82 -0.00 0.28 -1.05 0.00 0.00 178.16 178.18 2q3v h VAL 36 N 0.26 1.28 0.00 -2.88 2.07 -1.10 -0.37 116.25 115.51 2q3v h VAL 36 Ca 0.00 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2q3v h VAL 36 Cb 1.05 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 2q3v h VAL 36 CO 0.09 0.22 0.00 0.78 0.02 0.00 0.00 177.57 178.68 2q3v h ASN 37 N -0.32 0.00 0.26 0.57 2.35 -0.87 -1.78 115.58 115.80 2q3v h ASN 37 Ca 0.00 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.41 2q3v h ASN 37 Cb 0.35 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.76 2q3v h ASN 37 CO 0.00 0.00 -1.51 0.25 -1.65 0.00 0.00 177.43 174.52 2q3v h LEU 38 N 0.00 0.83 -1.29 1.61 5.85 -0.59 -2.56 115.31 119.16 2q3v h LEU 38 Ca 0.00 -0.91 -0.05 0.00 0.84 0.00 0.00 57.88 57.76 2q3v h LEU 38 Cb 0.64 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2q3v h LEU 38 CO 0.00 1.72 -0.05 0.00 -0.34 0.00 0.00 178.44 179.77 2q3v h ALA 39 N 0.15 1.42 0.08 1.25 0.00 -0.88 -2.55 119.26 118.73 2q3v h ALA 39 Ca -0.27 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2q3v h ALA 39 Cb 2.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2q3v h ALA 39 CO 0.27 0.40 -0.04 0.87 0.00 0.00 0.00 179.25 180.76 2q3v h LYS 40 N 0.39 -0.10 -0.53 0.00 1.57 -1.31 -3.17 116.57 113.42 2q3v h LYS 40 Ca 0.08 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.98 2q3v h LYS 40 Cb 0.35 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.59 2q3v h LYS 40 CO 0.02 0.26 -0.03 0.00 -0.57 0.00 0.00 179.45 179.13 2q3v h ARG 41 N -0.48 0.09 -1.29 3.15 2.47 -1.23 -0.88 114.38 116.21 2q3v h ARG 41 Ca -0.01 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2q3v h ARG 41 Cb 0.41 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 2q3v h ARG 41 CO 0.02 0.06 0.00 0.66 0.56 0.00 0.00 179.97 181.26 2q3v n TYR 42 N -5.27 0.00 0.00 3.04 4.02 -0.98 -2.04 117.16 115.92 2q3v n TYR 42 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 2q3v n TYR 42 Cb 0.29 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 2q3v n TYR 42 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2q3v n GLN 44 N 0.74 0.00 -0.11 -0.72 6.02 -0.34 -0.68 117.38 122.30 2q3v n GLN 44 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 2q3v n GLN 44 Cb 0.00 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.17 2q3v n GLN 44 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2q3v n GLN 45 N 0.00 0.55 -0.00 -1.09 6.02 -0.87 -4.69 117.38 117.30 2q3v n GLN 45 Ca 0.00 0.49 0.07 0.00 -0.01 0.00 0.00 57.00 57.55 2q3v n GLN 45 Cb 0.00 -1.68 -0.08 0.00 1.02 0.00 0.00 30.24 29.50 2q3v n GLN 45 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2q3v n TYR 46 N -4.43 0.00 0.00 1.08 4.02 0.14 -5.02 117.16 112.96 2q3v n TYR 46 Ca -0.32 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.57 2q3v n TYR 46 Cb 0.65 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.96 2q3v n TYR 46 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2q3v n ASN 47 N -1.36 0.00 -4.88 7.72 3.02 -1.23 -4.88 115.26 113.64 2q3v n ASN 47 Ca 0.03 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.27 2q3v n ASN 47 Cb 0.23 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.36 2q3v n ASN 47 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 2q3v s ASP 48 N 0.00 6.15 -0.04 6.41 1.47 -1.26 -2.74 116.67 126.66 2q3v s ASP 48 Ca 0.00 0.21 -0.14 0.00 1.18 0.00 0.00 52.55 53.80 2q3v s ASP 48 Cb 0.00 -1.85 0.03 0.00 -0.34 0.00 0.00 42.92 40.76 2q3v s ASP 48 CO 0.00 0.18 0.32 0.54 0.68 0.00 0.00 175.17 176.89 2q3v s VAL 49 N -1.45 0.04 -0.05 2.11 0.11 0.45 -4.92 120.40 116.69 2q3v s VAL 49 Ca 0.33 -0.36 0.02 0.00 -2.93 0.00 0.00 61.98 59.04 2q3v s VAL 49 Cb -0.13 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.11 2q3v s VAL 49 CO 0.25 -0.20 -0.11 -1.61 -3.33 0.00 0.00 175.10 170.11 2q3v s GLU 50 N -0.97 2.61 -0.12 1.54 2.02 0.18 -0.43 118.70 123.52 2q3v s GLU 50 Ca -0.10 -0.63 -0.01 0.00 0.02 0.00 0.00 54.97 54.25 2q3v s GLU 50 Cb -0.05 -2.48 0.03 0.00 0.10 0.00 0.00 34.13 31.74 2q3v s GLU 50 CO 0.03 0.64 -0.06 -0.51 0.02 0.00 0.00 175.26 175.39 2q3v s LEU 51 N -0.81 1.22 0.09 1.80 1.43 0.36 0.07 118.68 122.84 2q3v s LEU 51 Ca 0.12 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 52.89 2q3v s LEU 51 Cb -0.11 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.28 2q3v s LEU 51 CO 0.01 -0.15 -0.14 -0.94 0.23 0.00 0.00 176.35 175.37 2q3v s SER 52 N 1.73 1.77 0.19 2.29 1.04 -0.56 -0.76 113.70 119.40 2q3v s SER 52 Ca 0.04 -0.71 -0.12 0.00 0.48 0.00 0.00 55.95 55.64 2q3v s SER 52 Cb -0.13 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 65.94 2q3v s SER 52 CO -0.08 -0.12 0.39 0.00 0.98 0.00 0.00 173.24 174.41 2q3v s ALA 53 N -1.71 -0.28 -0.02 5.32 0.00 -1.05 -1.26 121.76 122.76 2q3v s ALA 53 Ca 0.03 -0.73 0.07 0.00 0.00 0.00 0.00 51.96 51.33 2q3v s ALA 53 Cb -0.07 0.92 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 2q3v s ALA 53 CO 0.02 -0.74 -0.23 -0.51 0.00 0.00 0.00 175.76 174.30 2q3v s LEU 54 N -2.96 2.04 0.00 0.00 1.43 -1.26 -1.66 118.68 116.27 2q3v s LEU 54 Ca 0.17 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 2q3v s LEU 54 Cb 0.01 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 45.03 2q3v s LEU 54 CO 0.02 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.48 2q3v n GLY 55 N 2.58 0.00 1.39 -3.19 0.00 0.32 -3.95 105.19 102.33 2q3v n GLY 55 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2q3v n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q3v n ALA 57 N 0.00 0.00 -0.15 4.61 0.00 -1.26 -4.50 120.51 119.20 2q3v n ALA 57 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2q3v n ALA 57 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 2q3v n ALA 57 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2q3v h ILE 58 N 0.00 1.24 -0.97 0.00 2.04 -1.87 -2.41 117.51 115.55 2q3v h ILE 58 Ca 0.00 -0.94 0.15 0.00 1.00 0.00 0.00 64.86 65.08 2q3v h ILE 58 Cb 0.00 0.73 -0.09 0.00 -0.74 0.00 0.00 36.82 36.73 2q3v h ILE 58 CO 0.00 0.34 0.61 0.00 0.00 0.00 0.00 178.15 179.10 2q3v h ALA 59 N 1.25 1.71 -0.04 1.87 0.00 -1.95 0.14 119.26 122.24 2q3v h ALA 59 Ca 0.17 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2q3v h ALA 59 Cb 0.38 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2q3v h ALA 59 CO 0.01 0.00 0.01 1.15 0.00 0.00 0.00 179.25 180.42 2q3v h THR 60 N 0.80 1.18 -0.36 0.00 2.02 -1.83 0.78 112.91 115.50 2q3v h THR 60 Ca 0.51 -0.54 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 2q3v h THR 60 Cb 0.73 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 2q3v h THR 60 CO -0.28 0.15 -0.06 0.58 0.37 0.00 0.00 175.52 176.28 2q3v h VAL 61 N -0.15 1.23 0.25 3.16 2.07 -1.31 0.15 116.25 121.65 2q3v h VAL 61 Ca 0.01 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 2q3v h VAL 61 Cb 0.23 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2q3v h VAL 61 CO -0.00 0.33 -0.19 0.58 0.02 0.00 0.00 177.57 178.31 2q3v h VAL 62 N 0.55 0.59 -0.44 2.57 2.07 -0.51 -1.34 116.25 119.75 2q3v h VAL 62 Ca 0.11 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.53 2q3v h VAL 62 Cb 0.45 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2q3v h VAL 62 CO 0.02 0.00 -0.10 0.74 0.02 0.00 0.00 177.57 178.25 2q3v h THR 63 N -0.45 1.27 -0.73 2.57 2.02 -0.55 -2.02 112.91 115.03 2q3v h THR 63 Ca -0.02 -1.21 0.07 0.00 0.77 0.00 0.00 66.41 66.03 2q3v h THR 63 Cb 0.39 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.88 2q3v h THR 63 CO -0.00 0.41 0.41 0.58 0.37 0.00 0.00 175.52 177.28 2q3v h VAL 64 N 0.69 0.94 -0.27 3.16 2.07 -0.64 -1.34 116.25 120.85 2q3v h VAL 64 Ca 0.11 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2q3v h VAL 64 Cb 0.64 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2q3v h VAL 64 CO 0.04 0.13 0.13 0.74 0.02 0.00 0.00 177.57 178.63 2q3v h THR 65 N 0.72 1.15 0.01 2.57 2.02 -1.07 -1.74 112.91 116.57 2q3v h THR 65 Ca 0.34 -0.41 0.02 0.00 0.77 0.00 0.00 66.41 67.12 2q3v h THR 65 Cb 0.26 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 2q3v h THR 65 CO -0.21 0.15 -0.11 -0.33 0.37 0.00 0.00 175.52 175.39 2q3v h GLU 66 N 0.30 -0.18 -0.34 6.66 5.08 -0.97 -0.70 114.58 124.43 2q3v h GLU 66 Ca 0.09 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 2q3v h GLU 66 Cb 0.11 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 2q3v h GLU 66 CO -0.01 -0.12 -0.04 0.82 -1.00 0.00 0.00 179.01 178.66 2q3v h ILE 67 N -0.19 0.71 -0.16 3.13 2.04 -1.18 0.52 117.51 122.38 2q3v h ILE 67 Ca 0.04 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 2q3v h ILE 67 Cb 0.23 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2q3v h ILE 67 CO -0.10 0.01 -0.12 -0.07 0.00 0.00 0.00 178.15 177.87 2q3v h LEU 68 N 0.05 0.23 0.09 1.44 3.38 -1.06 0.40 115.31 119.85 2q3v h LEU 68 Ca 0.16 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2q3v h LEU 68 Cb 0.24 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2q3v h LEU 68 CO -0.31 0.39 -0.04 0.11 0.09 0.00 0.00 178.44 178.68 2q3v h LYS 69 N 0.24 -0.11 0.00 1.13 1.79 -0.31 -1.18 116.57 118.12 2q3v h LYS 69 Ca 0.05 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2q3v h LYS 69 Cb 0.37 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.05 2q3v h LYS 69 CO 0.02 0.37 -0.02 -0.91 -1.08 0.00 0.00 179.45 177.82 2q3v h ASN 70 N -0.93 0.00 -0.73 0.86 2.35 0.17 -2.03 115.58 115.27 2q3v h ASN 70 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2q3v h ASN 70 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2q3v h ASN 70 CO 0.02 0.02 0.00 0.59 -1.65 0.00 0.00 177.43 176.41 2q3v n ASN 71 N -4.01 3.98 0.00 5.81 3.02 0.12 -4.99 115.26 119.19 2q3v n ASN 71 Ca -0.03 -2.03 0.00 0.00 -0.03 0.00 0.00 54.58 52.49 2q3v n ASN 71 Cb 0.11 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 2q3v n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q3v n GLY 72 N 1.63 0.57 0.08 7.41 0.00 -0.76 -4.95 105.19 109.17 2q3v n GLY 72 Ca 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 2q3v n GLY 72 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2q3v h PHE 73 N 0.00 0.13 -3.45 1.61 0.04 -1.49 -3.39 116.94 110.39 2q3v h PHE 73 Ca 0.00 -0.09 -0.36 0.00 2.80 0.00 0.00 57.97 60.32 2q3v h PHE 73 Cb 0.04 -0.01 -0.14 0.00 2.20 0.00 0.00 35.95 38.04 2q3v h PHE 73 CO 0.03 1.10 -0.65 0.00 -0.60 0.00 0.00 178.31 178.18 2q3v s ALA 74 N -2.66 1.71 -0.03 2.45 0.00 -0.76 -0.86 121.76 121.61 2q3v s ALA 74 Ca -0.03 -1.74 0.02 0.00 0.00 0.00 0.00 51.96 50.21 2q3v s ALA 74 Cb 0.09 0.55 0.01 0.00 0.00 0.00 0.00 23.12 23.77 2q3v s ALA 74 CO 0.83 -0.28 -0.06 0.08 0.00 0.00 0.00 175.76 176.33 2q3v s VAL 75 N -3.50 0.61 0.56 0.00 1.01 -0.49 -4.50 120.40 114.09 2q3v s VAL 75 Ca 0.28 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 2q3v s VAL 75 Cb 0.06 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.80 2q3v s VAL 75 CO 0.08 0.22 1.07 -1.83 0.00 0.00 0.00 175.10 174.64 2q3v s GLU 76 N 0.57 3.40 0.00 2.72 1.03 -1.26 -1.93 118.70 123.23 2q3v s GLU 76 Ca -0.08 1.33 0.00 0.00 0.03 0.00 0.00 54.97 56.26 2q3v s GLU 76 Cb -0.11 -2.04 0.00 0.00 -0.80 0.00 0.00 34.13 31.18 2q3v s GLU 76 CO 0.00 -0.76 0.00 1.17 -1.33 0.00 0.00 175.26 174.34 2q3v n LYS 77 N -1.66 3.20 -3.65 -4.83 4.81 0.60 -4.89 118.16 111.74 2q3v n LYS 77 Ca 0.10 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.52 2q3v n LYS 77 Cb 0.52 -0.63 -0.07 0.00 0.02 0.00 0.00 35.03 34.88 2q3v n LYS 77 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2q3v s LYS 78 N -1.11 0.17 0.06 1.64 2.20 -1.18 -4.95 119.74 116.57 2q3v s LYS 78 Ca 0.00 0.24 -0.00 0.00 -0.36 0.00 0.00 55.97 55.85 2q3v s LYS 78 Cb 0.00 0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.34 2q3v s LYS 78 CO 0.00 -0.03 -0.04 0.42 -0.36 0.00 0.00 175.35 175.34 2q3v s ILE 79 N 0.63 0.37 -0.29 5.43 1.01 -1.26 -0.48 121.20 126.61 2q3v s ILE 79 Ca -0.01 -1.81 -0.16 0.00 0.00 0.00 0.00 60.65 58.66 2q3v s ILE 79 Cb -0.04 -1.52 0.15 0.00 0.01 0.00 0.00 42.46 41.06 2q3v s ILE 79 CO -0.12 -0.94 0.99 -0.89 0.00 0.00 0.00 174.94 173.98 2q3v s THR 81 N -3.73 -0.05 0.35 2.92 2.01 -1.26 -4.98 115.64 110.89 2q3v s THR 81 Ca 0.08 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.15 2q3v s THR 81 Cb 0.06 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 2q3v s THR 81 CO -0.08 0.00 0.26 -1.54 -0.69 0.00 0.00 174.62 172.57 2q3v n SER 82 N 3.80 -0.39 -4.54 3.53 3.41 -0.17 -4.99 113.62 114.28 2q3v n SER 82 Ca -0.17 -3.22 -0.34 0.00 -0.26 0.00 0.00 58.87 54.87 2q3v n SER 82 Cb 0.57 1.59 -0.11 0.00 -0.26 0.00 0.00 64.21 65.99 2q3v n SER 82 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2q3v s ILE 83 N -3.33 4.10 -0.04 -1.33 -1.09 -1.26 -1.37 121.20 116.88 2q3v s ILE 83 Ca 0.37 -0.29 0.07 0.00 -2.23 0.00 0.00 60.65 58.57 2q3v s ILE 83 Cb 0.02 -2.80 -0.02 0.00 -1.58 0.00 0.00 42.46 38.08 2q3v s ILE 83 CO 0.26 0.50 -0.24 0.68 -1.23 0.00 0.00 174.94 174.91 2q3v s VAL 84 N 0.24 2.18 -0.50 2.92 -7.23 -0.15 -4.96 120.40 112.91 2q3v s VAL 84 Ca -0.01 -1.05 -0.21 0.00 -1.81 0.00 0.00 61.98 58.90 2q3v s VAL 84 Cb -0.14 -1.78 0.05 0.00 0.56 0.00 0.00 36.38 35.07 2q3v s VAL 84 CO 0.02 0.58 0.71 -1.81 -0.31 0.00 0.00 175.10 174.29 2q3v s ASP 85 N -0.48 6.28 -0.17 4.85 1.01 -1.26 -1.33 116.67 125.57 2q3v s ASP 85 Ca 0.06 -0.64 -0.15 0.00 0.71 0.00 0.00 52.55 52.53 2q3v s ASP 85 Cb -0.11 -2.33 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 2q3v s ASP 85 CO 0.01 -0.95 0.36 -0.63 0.21 0.00 0.00 175.17 174.17 2q3v s ILE 86 N 2.99 5.24 -0.42 0.77 -1.09 0.15 -4.91 121.20 123.94 2q3v s ILE 86 Ca 0.21 0.67 -0.29 0.00 -2.23 0.00 0.00 60.65 59.01 2q3v s ILE 86 Cb -0.16 -3.70 -0.09 0.00 -1.58 0.00 0.00 42.46 36.93 2q3v s ILE 86 CO 0.15 0.32 2.33 1.17 -1.23 0.00 0.00 174.94 177.69 2q3v n LYS 87 N 3.96 1.21 -3.96 2.79 4.81 -1.26 -1.19 118.16 124.53 2q3v n LYS 87 Ca -0.10 0.22 -0.09 0.00 -0.87 0.00 0.00 58.31 57.48 2q3v n LYS 87 Cb 0.51 -2.96 -0.05 0.00 0.02 0.00 0.00 35.03 32.56 2q3v n LYS 87 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2q3v s PRO 94 N 7.29 1.51 0.15 1.64 0.04 -1.26 -5.20 135.00 139.16 2q3v s PRO 94 Ca 1.05 -1.19 0.03 0.00 0.04 0.00 0.00 61.00 60.93 2q3v s PRO 94 Cb -0.50 0.47 -0.04 0.00 0.04 0.00 0.00 34.50 34.48 2q3v s PRO 94 CO 0.37 -0.63 0.23 0.14 0.04 0.00 0.00 177.00 177.15 2q3v s VAL 95 N -3.99 5.04 -0.20 -0.36 -7.23 -0.33 -5.09 120.40 108.24 2q3v s VAL 95 Ca 0.20 -0.79 -0.03 0.00 -1.81 0.00 0.00 61.98 59.55 2q3v s VAL 95 Cb -0.01 -3.58 -0.01 0.00 0.56 0.00 0.00 36.38 33.35 2q3v s VAL 95 CO 0.07 -0.07 -0.08 -1.10 -0.31 0.00 0.00 175.10 173.61 2q3v s GLN 96 N -3.12 3.33 0.25 4.82 -0.21 -1.26 -0.67 119.66 122.80 2q3v s GLN 96 Ca 0.33 -0.66 0.11 0.00 0.02 0.00 0.00 55.36 55.16 2q3v s GLN 96 Cb -0.11 -2.89 -0.05 0.00 1.00 0.00 0.00 33.01 30.97 2q3v s GLN 96 CO 0.27 -0.12 -0.15 0.15 -2.12 0.00 0.00 175.29 173.31 2q3v s LYS 97 N 1.24 1.83 0.01 2.91 -0.14 -0.44 -4.94 119.74 120.22 2q3v s LYS 97 Ca 0.03 -1.59 -0.22 0.00 -1.36 0.00 0.00 55.97 52.83 2q3v s LYS 97 Cb -0.14 -1.92 -0.05 0.00 -1.68 0.00 0.00 37.83 34.03 2q3v s LYS 97 CO -0.03 0.36 0.65 0.00 -0.76 0.00 0.00 175.35 175.58 2q3v s ALA 98 N -2.22 3.45 -0.07 5.17 0.00 -1.26 -0.98 121.76 125.85 2q3v s ALA 98 Ca 0.28 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.37 2q3v s ALA 98 Cb -0.06 -2.83 0.02 0.00 0.00 0.00 0.00 23.12 20.25 2q3v s ALA 98 CO 0.15 0.13 -0.08 0.21 0.00 0.00 0.00 175.76 176.17 2q3v s LYS 99 N -0.15 1.36 0.05 0.00 2.20 -0.47 0.12 119.74 122.85 2q3v s LYS 99 Ca 0.34 -0.25 0.01 0.00 -0.36 0.00 0.00 55.97 55.70 2q3v s LYS 99 Cb -0.19 -1.29 -0.04 0.00 -1.51 0.00 0.00 37.83 34.80 2q3v s LYS 99 CO 0.19 -0.11 0.13 -1.50 -0.36 0.00 0.00 175.35 173.71 2q3v s ILE 100 N 1.11 4.92 -0.06 5.43 2.07 -0.66 -0.99 121.20 133.01 2q3v s ILE 100 Ca -0.07 -0.54 -0.02 0.00 -1.41 0.00 0.00 60.65 58.62 2q3v s ILE 100 Cb -0.14 -3.35 0.03 0.00 0.13 0.00 0.00 42.46 39.12 2q3v s ILE 100 CO -0.01 0.18 0.02 -1.61 -1.91 0.00 0.00 174.94 171.61 2q3v s GLU 101 N -2.29 0.41 -0.04 3.50 2.02 -1.26 -2.53 118.70 118.51 2q3v s GLU 101 Ca 0.30 0.19 0.06 0.00 0.02 0.00 0.00 54.97 55.53 2q3v s GLU 101 Cb -0.12 -0.84 -0.01 0.00 0.10 0.00 0.00 34.13 33.26 2q3v s GLU 101 CO 0.22 -0.31 -0.22 0.42 0.02 0.00 0.00 175.26 175.39 2q3v s ILE 102 N 2.02 1.82 -0.15 -1.63 1.01 0.06 -4.12 121.20 120.20 2q3v s ILE 102 Ca 0.05 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.76 2q3v s ILE 102 Cb -0.12 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 40.81 2q3v s ILE 102 CO -0.05 0.51 -0.17 -0.89 0.00 0.00 0.00 174.94 174.34 2q3v s THR 103 N -0.20 2.48 0.21 2.92 2.01 0.37 -0.49 115.64 122.94 2q3v s THR 103 Ca -0.01 -0.83 0.10 0.00 0.31 0.00 0.00 61.69 61.26 2q3v s THR 103 Cb -0.12 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 2q3v s THR 103 CO 0.02 0.52 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.59 2q3v s LEU 104 N 0.85 2.83 0.06 4.42 1.43 0.43 -0.30 118.68 128.42 2q3v s LEU 104 Ca -0.05 -0.72 -0.00 0.00 -1.03 0.00 0.00 54.13 52.33 2q3v s LEU 104 Cb -0.15 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 2q3v s LEU 104 CO -0.01 0.08 -0.04 0.68 0.23 0.00 0.00 176.35 177.29 2q3v s VAL 105 N -1.90 0.37 0.42 -1.59 -7.23 -0.81 -0.41 120.40 109.24 2q3v s VAL 105 Ca 0.26 -1.83 -0.26 0.00 -1.81 0.00 0.00 61.98 58.34 2q3v s VAL 105 Cb -0.08 -1.54 -0.09 0.00 0.56 0.00 0.00 36.38 35.24 2q3v s VAL 105 CO 0.15 -0.95 1.36 -0.54 -0.31 0.00 0.00 175.10 174.81 2q3v s LYS 106 N -3.83 3.90 0.87 4.82 1.02 -1.11 -1.40 119.74 124.01 2q3v s LYS 106 Ca 0.08 2.28 -0.11 0.00 0.02 0.00 0.00 55.97 58.24 2q3v s LYS 106 Cb 0.07 -2.75 0.16 0.00 -0.52 0.00 0.00 37.83 34.79 2q3v s LYS 106 CO -0.08 -0.60 1.20 -1.54 -0.92 0.00 0.00 175.35 173.42 2q3v s SER 107 N -0.60 3.69 0.49 2.83 1.04 -0.04 -4.65 113.70 116.46 2q3v s SER 107 Ca 0.58 0.18 0.25 0.00 0.48 0.00 0.00 55.95 57.44 2q3v s SER 107 Cb -0.41 -0.40 1.28 0.00 0.10 0.00 0.00 66.02 66.60 2q3v s SER 107 CO 0.53 -2.35 2.00 1.05 0.98 0.00 0.00 173.24 175.45 2q3v h GLU 108 N -1.23 0.00 -0.03 4.02 9.09 -1.89 -2.81 114.58 121.74 2q3v h GLU 108 Ca -0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.98 2q3v h GLU 108 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.36 2q3v h GLU 108 CO 0.43 0.16 -0.04 1.63 0.05 0.00 0.00 179.01 181.25 2q3v n LYS 109 N -3.63 2.15 -0.08 1.06 5.02 -1.26 -4.63 118.16 116.79 2q3v n LYS 109 Ca -0.01 -1.72 -0.08 0.00 -2.02 0.00 0.00 58.31 54.48 2q3v n LYS 109 Cb 0.29 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 33.82 2q3v n LYS 109 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 2q3v h PHE 110 N 4.20 -0.68 -0.64 2.13 3.57 -1.68 -0.61 116.94 123.23 2q3v h PHE 110 Ca 0.00 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2q3v h PHE 110 Cb 0.91 0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.97 2q3v h PHE 110 CO 0.00 -0.33 0.27 -0.44 -2.23 0.00 0.00 178.31 175.58 2q3v h ASP 111 N -0.23 0.84 1.12 0.41 3.32 -1.82 -2.01 116.42 118.04 2q3v h ASP 111 Ca 0.16 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2q3v h ASP 111 Cb 0.48 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2q3v h ASP 111 CO -0.44 0.74 0.00 -1.84 -1.72 0.00 0.00 179.24 175.98 2q3v n GLU 112 N -4.32 0.11 -0.37 3.56 0.28 -0.89 -2.32 120.64 116.68 2q3v n GLU 112 Ca 0.06 0.13 -0.04 0.00 -0.16 0.00 0.00 57.16 57.15 2q3v n GLU 112 Cb 0.16 -1.64 0.09 0.00 1.43 0.00 0.00 31.44 31.48 2q3v n GLU 112 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2q3v n LEU 113 N -1.83 3.61 0.00 -1.84 4.77 -0.29 -3.37 117.00 118.05 2q3v n LEU 113 Ca 0.06 -1.86 0.00 0.00 -0.03 0.00 0.00 56.01 54.18 2q3v n LEU 113 Cb 0.35 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2q3v n LEU 113 CO 0.27 0.56 0.00 0.00 -1.33 0.00 0.00 177.39 176.89 2q3v n ALA 115 N 0.05 0.00 -0.08 -1.18 0.00 -0.98 -2.60 120.51 115.72 2q3v n ALA 115 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.57 2q3v n ALA 115 Cb 0.77 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.43 2q3v n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2q3v h ALA 116 N 0.00 1.22 0.00 0.00 0.00 -1.83 -3.55 119.26 115.10 2q3v h ALA 116 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2q3v h ALA 116 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2q3v h ALA 116 CO 0.00 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.77