#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a67 s ALA 10 N 0.00 -0.42 0.04 4.61 0.00 -1.26 -5.14 121.76 119.59 1a67 s ALA 10 Ca 0.00 0.50 -0.27 0.00 0.00 0.00 0.00 51.96 52.19 1a67 s ALA 10 Cb 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 1a67 s ALA 10 CO 0.00 -0.08 0.85 -1.25 0.00 0.00 0.00 175.76 175.28 1a67 s PRO 11 N 0.13 4.56 0.21 0.00 0.04 -1.26 -4.81 135.00 133.86 1a67 s PRO 11 Ca -0.00 1.22 0.07 0.00 0.04 0.00 0.00 61.00 62.33 1a67 s PRO 11 Cb -0.02 -3.39 -0.05 0.00 0.04 0.00 0.00 34.50 31.08 1a67 s PRO 11 CO -0.00 0.18 -0.12 0.14 0.04 0.00 0.00 177.00 177.23 1a67 s VAL 12 N 0.25 1.62 -0.77 -0.36 -7.23 -1.05 -4.94 120.40 107.92 1a67 s VAL 12 Ca 0.43 -2.17 -0.26 0.00 -1.81 0.00 0.00 61.98 58.17 1a67 s VAL 12 Cb -0.21 -2.08 0.02 0.00 0.56 0.00 0.00 36.38 34.67 1a67 s VAL 12 CO 0.25 -0.57 1.41 -2.16 -0.31 0.00 0.00 175.10 173.73 1a67 s PRO 13 N -3.68 3.15 0.03 4.82 0.04 -1.26 -1.44 135.00 136.66 1a67 s PRO 13 Ca 0.23 -0.26 -0.28 0.00 0.04 0.00 0.00 61.00 60.73 1a67 s PRO 13 Cb 0.01 -4.43 -0.14 0.00 0.04 0.00 0.00 34.50 29.97 1a67 s PRO 13 CO 0.07 -2.29 0.71 1.55 0.04 0.00 0.00 177.00 177.07 1a67 n VAL 14 N 6.64 0.27 -1.81 -0.36 3.14 -1.26 -4.75 118.33 120.20 1a67 n VAL 14 Ca 0.12 -0.07 -0.42 0.00 -2.96 0.00 0.00 64.34 61.01 1a67 n VAL 14 Cb 0.50 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.25 1a67 n VAL 14 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 1a67 s ASP 15 N -0.14 6.46 0.00 6.55 1.47 -1.26 -4.87 116.67 124.88 1a67 s ASP 15 Ca 0.63 2.78 0.28 0.00 1.18 0.00 0.00 52.55 57.41 1a67 s ASP 15 Cb -0.88 -2.60 0.99 0.00 -0.34 0.00 0.00 42.92 40.09 1a67 s ASP 15 CO 0.41 -0.91 1.71 -1.84 0.68 0.00 0.00 175.17 175.22 1a67 n GLU 16 N 3.84 1.44 0.00 2.11 0.28 -1.26 -3.75 120.64 123.30 1a67 n GLU 16 Ca 0.15 -0.83 0.11 0.00 -0.16 0.00 0.00 57.16 56.42 1a67 n GLU 16 Cb 0.37 -1.48 0.49 0.00 1.43 0.00 0.00 31.44 32.24 1a67 n GLU 16 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1a67 n ASN 17 N -0.05 0.00 -4.65 -1.84 5.03 -1.26 -4.66 115.26 107.83 1a67 n ASN 17 Ca 0.17 0.36 -0.35 0.00 0.87 0.00 0.00 54.58 55.64 1a67 n ASN 17 Cb 0.35 -0.45 -0.10 0.00 -1.02 0.00 0.00 39.78 38.57 1a67 n ASN 17 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1a67 s ASP 18 N -2.89 5.64 0.00 6.41 2.15 -1.25 -4.96 116.67 121.77 1a67 s ASP 18 Ca 0.13 0.10 0.23 0.00 0.43 0.00 0.00 52.55 53.44 1a67 s ASP 18 Cb 0.14 -1.95 1.23 0.00 -0.30 0.00 0.00 42.92 42.04 1a67 s ASP 18 CO 0.38 0.19 1.80 1.21 -0.17 0.00 0.00 175.17 178.59 1a67 n GLU 19 N 3.41 1.16 -0.08 4.34 4.07 -1.26 -3.69 120.64 128.59 1a67 n GLU 19 Ca -0.17 -0.24 -0.15 0.00 -0.06 0.00 0.00 57.16 56.55 1a67 n GLU 19 Cb 0.52 -1.37 -0.05 0.00 -0.06 0.00 0.00 31.44 30.49 1a67 n GLU 19 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1a67 h GLY 20 N 5.22 0.87 2.00 8.31 0.00 -1.96 -2.81 103.07 114.71 1a67 h GLY 20 Ca 0.00 -1.01 -0.00 0.00 0.00 0.00 0.00 47.33 46.32 1a67 h GLY 20 CO 0.00 0.90 -0.01 -2.00 0.00 0.00 0.00 176.54 175.43 1a67 h LEU 21 N 0.55 0.00 -0.50 3.11 5.85 -1.92 -2.20 115.31 120.21 1a67 h LEU 21 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1a67 h LEU 21 Cb 1.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1a67 h LEU 21 CO 0.11 0.01 0.00 1.67 -0.34 0.00 0.00 178.44 179.89 1a67 n GLN 22 N -3.12 0.07 0.03 1.25 7.27 -1.06 -1.86 117.38 119.96 1a67 n GLN 22 Ca -0.00 0.47 -0.21 0.00 0.07 0.00 0.00 57.00 57.33 1a67 n GLN 22 Cb 0.27 -1.68 -0.14 0.00 2.41 0.00 0.00 30.24 31.09 1a67 n GLN 22 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 1a67 h ARG 23 N 0.00 0.28 0.00 3.69 9.65 -1.53 -3.26 114.38 123.21 1a67 h ARG 23 Ca 0.00 -0.48 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 1a67 h ARG 23 Cb 0.11 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 1a67 h ARG 23 CO 0.00 1.23 0.00 0.00 2.80 0.00 0.00 179.97 184.00 1a67 h ALA 24 N 0.00 1.00 -0.16 2.80 0.00 -1.52 -1.20 119.26 120.18 1a67 h ALA 24 Ca -0.27 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.44 1a67 h ALA 24 Cb 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1a67 h ALA 24 CO 0.10 0.00 -0.71 1.25 0.00 0.00 0.00 179.25 179.89 1a67 h LEU 25 N 0.00 0.80 -0.38 0.00 7.12 -1.56 -3.12 115.31 118.17 1a67 h LEU 25 Ca 0.00 -0.50 -0.00 0.00 0.13 0.00 0.00 57.88 57.51 1a67 h LEU 25 Cb 0.08 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 39.96 1a67 h LEU 25 CO 0.00 1.27 0.24 1.56 -0.13 0.00 0.00 178.44 181.38 1a67 h GLN 26 N 0.48 0.52 -0.95 1.25 1.08 -1.31 -1.95 115.11 114.23 1a67 h GLN 26 Ca -0.03 -0.04 0.24 0.00 -1.45 0.00 0.00 58.65 57.37 1a67 h GLN 26 Cb 1.31 -0.11 -0.18 0.00 -0.05 0.00 0.00 27.48 28.45 1a67 h GLN 26 CO 0.14 0.38 -0.03 0.35 -0.95 0.00 0.00 178.83 178.72 1a67 h PHE 27 N 0.51 -0.14 -0.03 2.96 3.04 -1.49 0.34 116.94 122.12 1a67 h PHE 27 Ca 0.14 0.07 -0.00 0.00 3.98 0.00 0.00 57.97 62.16 1a67 h PHE 27 Cb -0.01 0.22 -0.00 0.00 2.56 0.00 0.00 35.95 38.72 1a67 h PHE 27 CO -0.04 -0.40 0.01 0.00 -2.02 0.00 0.00 178.31 175.86 1a67 h ALA 28 N 1.94 0.04 -0.95 2.41 0.00 -1.38 -2.54 119.26 118.77 1a67 h ALA 28 Ca 0.54 -0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.56 1a67 h ALA 28 Cb 1.05 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.70 1a67 h ALA 28 CO -0.90 -0.35 0.51 1.98 0.00 0.00 0.00 179.25 180.49 1a67 h MET 29 N -0.15 0.52 0.17 0.00 4.05 -0.01 -1.37 114.93 118.16 1a67 h MET 29 Ca 0.01 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1a67 h MET 29 Cb 0.21 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 1a67 h MET 29 CO -0.00 0.35 -0.08 0.00 0.23 0.00 0.00 176.91 177.40 1a67 h ALA 30 N 1.70 -0.23 -0.74 0.39 0.00 -1.12 -0.87 119.26 118.37 1a67 h ALA 30 Ca 0.59 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 55.52 1a67 h ALA 30 Cb 1.07 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1a67 h ALA 30 CO -0.47 -0.44 0.76 0.93 0.00 0.00 0.00 179.25 180.03 1a67 h GLU 31 N -0.62 0.00 0.23 0.00 4.39 -0.87 0.97 114.58 118.68 1a67 h GLU 31 Ca -0.02 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.36 1a67 h GLU 31 Cb 0.46 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.15 1a67 h GLU 31 CO 0.04 0.00 -1.37 -0.92 -1.16 0.00 0.00 179.01 175.60 1a67 h TYR 32 N 0.00 0.93 -0.61 4.33 3.20 -0.64 -2.50 116.97 121.68 1a67 h TYR 32 Ca 0.35 -0.67 0.12 0.00 3.14 0.00 0.00 58.73 61.67 1a67 h TYR 32 Cb 1.87 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 40.07 1a67 h TYR 32 CO 0.00 1.52 0.41 -2.95 -1.64 0.00 0.00 178.16 175.51 1a67 h ASN 33 N 0.07 0.30 0.74 -2.11 7.08 0.24 -1.00 115.58 120.90 1a67 h ASN 33 Ca -0.24 0.01 -0.20 0.00 -3.08 0.00 0.00 56.30 52.79 1a67 h ASN 33 Cb 2.08 -0.05 -0.03 0.00 -2.08 0.00 0.00 38.32 38.24 1a67 h ASN 33 CO 0.26 0.17 -1.38 0.08 -2.08 0.00 0.00 177.43 174.48 1a67 h ARG 34 N 0.33 0.00 0.00 4.14 0.11 -1.49 -3.31 114.38 114.16 1a67 h ARG 34 Ca 0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.37 1a67 h ARG 34 Cb 0.68 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.76 1a67 h ARG 34 CO -0.07 0.42 0.00 0.00 0.10 0.00 0.00 179.97 180.42 1a67 n ALA 35 N -2.42 1.97 1.94 0.08 0.00 -0.48 -2.51 120.51 119.09 1a67 n ALA 35 Ca -0.10 0.03 0.15 0.00 0.00 0.00 0.00 53.44 53.53 1a67 n ALA 35 Cb 0.90 -1.43 0.88 0.00 0.00 0.00 0.00 19.45 19.80 1a67 n ALA 35 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a67 n SER 36 N -2.26 0.18 0.00 0.00 3.41 -0.63 -4.89 113.62 109.43 1a67 n SER 36 Ca 0.04 -1.08 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 1a67 n SER 36 Cb 0.33 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1a67 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1a67 n ASN 37 N -0.85 0.00 -3.22 4.04 4.05 -1.04 -4.41 115.26 113.82 1a67 n ASN 37 Ca 0.23 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.26 1a67 n ASN 37 Cb 0.14 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.15 1a67 n ASN 37 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 1a67 n ASP 38 N 2.18 -0.79 -1.71 1.20 5.75 -1.26 -4.92 116.55 117.00 1a67 n ASP 38 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.65 1a67 n ASP 38 Cb 0.00 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.16 1a67 n ASP 38 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1a67 n LYS 39 N -0.79 2.77 -3.62 0.11 2.85 -1.26 -4.75 118.16 113.46 1a67 n LYS 39 Ca 0.00 -3.80 -0.01 0.00 -1.05 0.00 0.00 58.31 53.45 1a67 n LYS 39 Cb 0.00 -1.95 -0.02 0.00 -0.65 0.00 0.00 35.03 32.41 1a67 n LYS 39 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1a67 s TYR 40 N -3.38 -0.03 0.00 5.58 2.02 -1.26 -3.88 117.35 116.41 1a67 s TYR 40 Ca 0.45 0.01 0.00 0.00 -0.37 0.00 0.00 57.07 57.16 1a67 s TYR 40 Cb 0.39 0.51 0.00 0.00 -0.40 0.00 0.00 41.96 42.46 1a67 s TYR 40 CO -0.00 -0.06 0.00 0.43 -1.57 0.00 0.00 175.55 174.35 1a67 n SER 41 N -0.14 0.00 -4.82 2.29 7.64 -0.18 -4.93 113.62 113.48 1a67 n SER 41 Ca 0.01 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.58 1a67 n SER 41 Cb 0.58 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.72 1a67 n SER 41 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1a67 s SER 42 N -0.89 5.78 0.04 6.43 0.01 -1.26 -1.16 113.70 122.65 1a67 s SER 42 Ca 0.00 0.09 -0.29 0.00 1.31 0.00 0.00 55.95 57.06 1a67 s SER 42 Cb 0.00 -1.63 0.10 0.00 0.21 0.00 0.00 66.02 64.70 1a67 s SER 42 CO 0.00 0.19 1.18 -0.60 0.41 0.00 0.00 173.24 174.42 1a67 s ARG 43 N -2.32 0.65 0.34 12.44 3.00 0.13 -4.22 118.95 128.96 1a67 s ARG 43 Ca 0.30 -0.36 0.09 0.00 -1.00 0.00 0.00 55.73 54.75 1a67 s ARG 43 Cb -0.12 0.22 -0.05 0.00 0.00 0.00 0.00 34.95 34.99 1a67 s ARG 43 CO 0.22 -0.30 0.00 0.54 0.00 0.00 0.00 175.30 175.77 1a67 s VAL 44 N -2.68 2.64 0.04 7.11 0.11 -1.26 -0.61 120.40 125.76 1a67 s VAL 44 Ca 0.14 -1.99 -0.03 0.00 -2.93 0.00 0.00 61.98 57.18 1a67 s VAL 44 Cb 0.03 -2.78 -0.01 0.00 -1.53 0.00 0.00 36.38 32.08 1a67 s VAL 44 CO -0.02 -0.21 -0.06 0.52 -3.33 0.00 0.00 175.10 172.00 1a67 n VAL 45 N -0.94 1.15 -3.92 2.04 0.31 -0.50 -4.72 118.33 111.75 1a67 n VAL 45 Ca -0.04 0.31 -0.01 0.00 -0.01 0.00 0.00 64.34 64.59 1a67 n VAL 45 Cb 0.62 -1.69 0.02 0.00 -0.91 0.00 0.00 33.84 31.88 1a67 n VAL 45 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a67 s ARG 46 N -2.14 1.00 0.06 5.55 1.70 -1.25 -5.06 118.95 118.82 1a67 s ARG 46 Ca -0.05 -0.64 -0.08 0.00 -0.47 0.00 0.00 55.73 54.49 1a67 s ARG 46 Cb 0.01 0.28 -0.05 0.00 -0.57 0.00 0.00 34.95 34.61 1a67 s ARG 46 CO 0.07 -0.47 0.35 0.08 -1.08 0.00 0.00 175.30 174.25 1a67 s VAL 47 N -2.12 5.18 -0.18 4.99 1.01 -1.26 -2.72 120.40 125.30 1a67 s VAL 47 Ca 0.24 0.27 0.21 0.00 0.00 0.00 0.00 61.98 62.70 1a67 s VAL 47 Cb -0.02 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 32.67 1a67 s VAL 47 CO 0.03 0.27 0.90 -0.38 0.00 0.00 0.00 175.10 175.92 1a67 n ILE 48 N 0.83 0.76 0.00 2.22 5.41 -0.07 -4.94 119.36 123.58 1a67 n ILE 48 Ca -0.08 -0.60 0.00 0.00 1.00 0.00 0.00 62.75 63.07 1a67 n ILE 48 Cb 0.52 -0.44 0.00 0.00 -0.71 0.00 0.00 39.64 39.01 1a67 n ILE 48 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1a67 n SER 49 N -2.71 0.00 -3.74 4.38 2.88 -1.26 -4.97 113.62 108.21 1a67 n SER 49 Ca -0.04 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.37 1a67 n SER 49 Cb 0.66 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.99 1a67 n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a67 s ALA 50 N -2.00 -0.56 0.23 -1.46 0.00 -1.26 -2.89 121.76 113.81 1a67 s ALA 50 Ca 0.00 0.93 0.09 0.00 0.00 0.00 0.00 51.96 52.98 1a67 s ALA 50 Cb 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.49 1a67 s ALA 50 CO 0.00 -0.18 -0.15 0.15 0.00 0.00 0.00 175.76 175.57 1a67 s LYS 51 N 1.05 1.43 -0.00 0.00 3.01 -0.68 -4.25 119.74 120.29 1a67 s LYS 51 Ca -0.08 -1.64 0.02 0.00 -1.01 0.00 0.00 55.97 53.27 1a67 s LYS 51 Cb -0.09 -1.28 -0.01 0.00 -1.01 0.00 0.00 37.83 35.44 1a67 s LYS 51 CO -0.07 0.21 -0.08 -0.98 0.51 0.00 0.00 175.35 174.95 1a67 s ARG 52 N -3.61 0.63 0.26 1.68 1.70 -0.52 -0.72 118.95 118.37 1a67 s ARG 52 Ca 0.25 -0.29 0.12 0.00 -0.47 0.00 0.00 55.73 55.33 1a67 s ARG 52 Cb -0.02 -0.61 -0.05 0.00 -0.57 0.00 0.00 34.95 33.71 1a67 s ARG 52 CO 0.09 0.17 -0.20 -0.65 -1.08 0.00 0.00 175.30 173.63 1a67 s GLN 53 N -0.22 1.63 -0.00 3.89 -0.21 -0.37 -2.52 119.66 121.86 1a67 s GLN 53 Ca 0.03 -1.72 0.06 0.00 0.02 0.00 0.00 55.36 53.75 1a67 s GLN 53 Cb -0.03 -1.73 -0.02 0.00 1.00 0.00 0.00 33.01 32.23 1a67 s GLN 53 CO -0.00 0.33 -0.20 -0.48 -2.12 0.00 0.00 175.29 172.82 1a67 s LEU 54 N -3.38 2.07 -0.45 2.90 0.05 -1.26 -0.72 118.68 117.88 1a67 s LEU 54 Ca 0.28 -0.39 0.04 0.00 0.05 0.00 0.00 54.13 54.11 1a67 s LEU 54 Cb -0.05 -0.99 0.24 0.00 -2.05 0.00 0.00 46.19 43.35 1a67 s LEU 54 CO 0.14 0.22 0.96 1.33 -0.55 0.00 0.00 176.35 178.45 1a67 n VAL 55 N 2.41 0.00 0.00 1.48 0.24 -1.26 -4.78 118.33 116.42 1a67 n VAL 55 Ca -0.16 -1.27 0.00 0.00 -2.04 0.00 0.00 64.34 60.87 1a67 n VAL 55 Cb 0.53 1.37 0.00 0.00 -1.47 0.00 0.00 33.84 34.27 1a67 n VAL 55 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1a67 n SER 56 N 1.70 0.00 0.00 -1.34 2.88 -1.26 -4.86 113.62 110.73 1a67 n SER 56 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1a67 n SER 56 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1a67 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a67 n GLY 57 N 0.00 5.26 3.44 0.46 0.00 -1.26 -4.90 105.19 108.20 1a67 n GLY 57 Ca 0.00 -1.25 -0.23 0.00 0.00 0.00 0.00 46.02 44.55 1a67 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a67 s ILE 58 N 0.06 2.26 -0.00 -0.61 1.01 -0.55 -4.36 121.20 119.01 1a67 s ILE 58 Ca 0.00 -2.34 -0.02 0.00 0.00 0.00 0.00 60.65 58.29 1a67 s ILE 58 Cb 0.00 -2.27 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 1a67 s ILE 58 CO 0.00 -0.43 0.03 -0.75 0.00 0.00 0.00 174.94 173.79 1a67 s LYS 59 N -3.56 0.23 -0.24 2.79 2.20 0.10 -1.29 119.74 119.96 1a67 s LYS 59 Ca 0.28 -0.27 0.02 0.00 -0.36 0.00 0.00 55.97 55.64 1a67 s LYS 59 Cb -0.03 0.09 0.06 0.00 -1.51 0.00 0.00 37.83 36.44 1a67 s LYS 59 CO 0.13 -0.04 -0.07 0.71 -0.36 0.00 0.00 175.35 175.71 1a67 s TYR 60 N -0.78 2.72 -0.37 4.03 2.02 -0.36 -1.24 117.35 123.37 1a67 s TYR 60 Ca -0.09 -1.97 -0.18 0.00 -0.37 0.00 0.00 57.07 54.46 1a67 s TYR 60 Cb -0.05 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 1a67 s TYR 60 CO -0.00 -0.81 0.52 0.96 -1.57 0.00 0.00 175.55 174.65 1a67 s ILE 61 N 1.28 5.00 0.21 2.71 -4.36 0.10 -1.14 121.20 125.00 1a67 s ILE 61 Ca -0.07 0.22 0.08 0.00 -0.26 0.00 0.00 60.65 60.62 1a67 s ILE 61 Cb -0.19 -4.01 -0.04 0.00 1.25 0.00 0.00 42.46 39.47 1a67 s ILE 61 CO -0.06 -0.30 -0.01 -1.48 0.24 0.00 0.00 174.94 173.34 1a67 s LEU 62 N 2.42 3.25 -0.41 0.37 0.05 -0.31 -1.69 118.68 122.35 1a67 s LEU 62 Ca 0.18 -0.50 0.02 0.00 0.05 0.00 0.00 54.13 53.89 1a67 s LEU 62 Cb -0.15 -1.86 0.12 0.00 -2.05 0.00 0.00 46.19 42.25 1a67 s LEU 62 CO 0.14 0.06 0.18 -1.10 -0.55 0.00 0.00 176.35 175.08 1a67 s GLN 63 N -3.21 1.28 0.48 1.48 -0.21 -1.14 -1.22 119.66 117.11 1a67 s GLN 63 Ca 0.29 -1.86 -0.05 0.00 0.02 0.00 0.00 55.36 53.75 1a67 s GLN 63 Cb -0.08 -2.51 -0.04 0.00 1.00 0.00 0.00 33.01 31.38 1a67 s GLN 63 CO 0.19 -1.09 0.78 0.14 -2.12 0.00 0.00 175.29 173.19 1a67 s VAL 64 N 0.62 4.91 -0.30 1.09 -7.23 0.94 -0.89 120.40 119.54 1a67 s VAL 64 Ca 0.15 0.18 0.03 0.00 -1.81 0.00 0.00 61.98 60.53 1a67 s VAL 64 Cb -0.22 -3.86 0.08 0.00 0.56 0.00 0.00 36.38 32.94 1a67 s VAL 64 CO -0.06 -0.83 -0.00 -0.70 -0.31 0.00 0.00 175.10 173.19 1a67 s GLU 65 N -4.71 1.61 0.08 4.82 2.12 -1.10 -1.30 118.70 120.21 1a67 s GLU 65 Ca 0.47 -1.52 0.05 0.00 0.36 0.00 0.00 54.97 54.33 1a67 s GLU 65 Cb -0.10 -2.90 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 1a67 s GLU 65 CO 0.44 -0.80 -0.03 0.96 -0.54 0.00 0.00 175.26 175.30 1a67 s ILE 66 N 1.10 3.87 0.37 -3.70 -0.00 0.74 -1.40 121.20 122.18 1a67 s ILE 66 Ca 0.03 -0.99 0.06 0.00 -0.00 0.00 0.00 60.65 59.75 1a67 s ILE 66 Cb -0.19 -2.81 -0.02 0.00 -0.00 0.00 0.00 42.46 39.43 1a67 s ILE 66 CO -0.09 0.16 0.22 0.61 -0.00 0.00 0.00 174.94 175.84 1a67 n GLY 67 N 0.75 3.06 3.86 6.27 0.00 0.23 0.39 105.19 119.74 1a67 n GLY 67 Ca -0.12 -2.00 -0.33 0.00 0.00 0.00 0.00 46.02 43.57 1a67 n GLY 67 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a67 s ARG 68 N -3.45 3.86 0.10 1.61 3.52 -1.25 0.18 118.95 123.52 1a67 s ARG 68 Ca 0.31 0.34 -0.04 0.00 -0.13 0.00 0.00 55.73 56.21 1a67 s ARG 68 Cb 0.02 -2.79 0.02 0.00 -1.56 0.00 0.00 34.95 30.63 1a67 s ARG 68 CO 0.22 0.40 0.21 0.25 -0.81 0.00 0.00 175.30 175.58 1a67 n THR 69 N 0.31 0.00 -0.83 4.11 -2.24 -0.31 -4.21 114.28 111.12 1a67 n THR 69 Ca -0.02 -0.26 -0.21 0.00 -2.27 0.00 0.00 64.05 61.29 1a67 n THR 69 Cb 0.52 0.26 0.12 0.00 -2.10 0.00 0.00 70.33 69.13 1a67 n THR 69 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1a67 n THR 70 N -0.15 2.85 -4.36 4.28 -2.24 -0.63 -1.01 114.28 113.03 1a67 n THR 70 Ca -0.02 -1.72 -0.34 0.00 -2.27 0.00 0.00 64.05 59.70 1a67 n THR 70 Cb 0.16 -0.78 -0.09 0.00 -2.10 0.00 0.00 70.33 67.51 1a67 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a67 s PRO 72 N -1.18 3.22 5.19 0.00 0.04 -1.25 -3.88 135.00 137.13 1a67 s PRO 72 Ca 0.16 -0.86 0.00 0.00 0.04 0.00 0.00 61.00 60.34 1a67 s PRO 72 Cb -0.11 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 30.04 1a67 s PRO 72 CO 0.06 -1.90 0.00 1.17 0.04 0.00 0.00 177.00 176.37 1a67 n LYS 73 N 7.96 0.00 0.00 4.56 4.81 -1.25 -4.54 118.16 129.70 1a67 n LYS 73 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1a67 n LYS 73 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 1a67 n LYS 73 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1a67 n SER 74 N 5.87 0.00 -1.81 3.14 2.88 -1.26 -4.66 113.62 117.78 1a67 n SER 74 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1a67 n SER 74 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 1a67 n SER 74 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1a67 n SER 75 N 0.00 -0.90 -0.51 -3.46 3.41 -1.26 -4.82 113.62 106.08 1a67 n SER 75 Ca 0.00 -1.73 -0.02 0.00 -0.26 0.00 0.00 58.87 56.86 1a67 n SER 75 Cb 0.00 1.53 -0.02 0.00 -0.26 0.00 0.00 64.21 65.47 1a67 n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a67 n GLY 76 N -0.24 0.07 1.26 5.00 0.00 -1.26 -5.02 105.19 104.99 1a67 n GLY 76 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.13 1a67 n GLY 76 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a67 n ASP 77 N 0.00 -6.50 0.00 1.61 2.03 -1.26 -4.81 116.55 107.62 1a67 n ASP 77 Ca -0.07 1.02 0.00 0.00 0.52 0.00 0.00 54.79 56.26 1a67 n ASP 77 Cb 0.34 -4.19 0.00 0.00 -0.72 0.00 0.00 41.12 36.55 1a67 n ASP 77 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1a67 n LEU 78 N -3.97 0.00 -2.97 -2.67 4.77 -1.26 -4.80 117.00 106.10 1a67 n LEU 78 Ca -0.06 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.80 1a67 n LEU 78 Cb 0.59 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 1a67 n LEU 78 CO 0.03 0.00 -0.14 0.00 -1.33 0.00 0.00 177.39 175.95 1a67 n GLN 79 N 13.68 -0.95 0.00 3.23 10.64 -1.26 -3.97 117.38 138.74 1a67 n GLN 79 Ca 0.00 0.04 0.00 0.00 -1.83 0.00 0.00 57.00 55.21 1a67 n GLN 79 Cb 0.00 -1.40 0.00 0.00 -0.86 0.00 0.00 30.24 27.98 1a67 n GLN 79 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1a67 n SER 80 N -0.69 0.00 -1.89 2.61 3.41 -1.26 -4.79 113.62 111.01 1a67 n SER 80 Ca -0.07 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.54 1a67 n SER 80 Cb 0.22 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1a67 n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a67 s GLU 82 N -0.65 1.07 -0.18 0.00 8.01 -1.26 -4.93 118.70 120.76 1a67 s GLU 82 Ca -0.03 -0.42 -0.04 0.00 0.01 0.00 0.00 54.97 54.49 1a67 s GLU 82 Cb 0.00 0.48 -0.08 0.00 -4.31 0.00 0.00 34.13 30.22 1a67 s GLU 82 CO 0.26 -0.41 3.00 1.19 0.01 0.00 0.00 175.26 179.32 1a67 n PHE 83 N 0.11 0.67 -3.97 1.61 3.01 -1.26 -1.60 117.46 116.03 1a67 n PHE 83 Ca -0.17 -1.63 0.00 0.00 1.01 0.00 0.00 57.45 56.65 1a67 n PHE 83 Cb 0.62 -1.34 0.00 0.00 -0.01 0.00 0.00 39.48 38.75 1a67 n PHE 83 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1a67 n HIS 84 N 1.64 -0.69 0.00 1.38 -0.00 -1.26 -4.43 115.22 111.86 1a67 n HIS 84 Ca 0.39 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.57 1a67 n HIS 84 Cb 0.72 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.59 1a67 n HIS 84 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 1a67 n ASP 85 N 0.69 0.00 -2.77 0.26 5.75 -1.26 -4.72 116.55 114.50 1a67 n ASP 85 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.73 1a67 n ASP 85 Cb 0.00 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 1a67 n ASP 85 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1a67 n GLU 86 N 0.00 0.56 -1.97 0.11 2.13 -1.26 -5.06 120.64 115.16 1a67 n GLU 86 Ca 0.00 -2.03 -0.41 0.00 0.66 0.00 0.00 57.16 55.38 1a67 n GLU 86 Cb 0.00 -1.47 -0.00 0.00 0.27 0.00 0.00 31.44 30.23 1a67 n GLU 86 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1a67 n PRO 87 N 2.76 3.60 -0.31 5.31 -0.04 -1.26 -4.80 135.00 140.26 1a67 n PRO 87 Ca 0.17 -3.08 0.35 0.00 -0.04 0.00 0.00 63.50 60.90 1a67 n PRO 87 Cb 0.57 -2.95 0.63 0.00 -0.04 0.00 0.00 33.50 31.70 1a67 n PRO 87 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1a67 h GLU 88 N 5.50 0.00 -0.93 0.54 5.08 -1.97 -0.68 114.58 122.13 1a67 h GLU 88 Ca 0.56 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.58 1a67 h GLU 88 Cb 0.53 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 29.41 1a67 h GLU 88 CO 1.70 0.00 -1.07 -1.33 -1.00 0.00 0.00 179.01 177.31 1a67 n MET 89 N -3.63 1.13 -3.83 2.33 2.81 -1.26 -5.08 117.12 109.59 1a67 n MET 89 Ca 0.27 -3.04 -0.20 0.00 -1.81 0.00 0.00 57.70 52.92 1a67 n MET 89 Cb 1.48 -1.11 -0.17 0.00 -0.71 0.00 0.00 33.22 32.71 1a67 n MET 89 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a67 s ALA 90 N -2.54 0.47 -0.28 3.04 0.00 -0.26 -4.97 121.76 117.22 1a67 s ALA 90 Ca 0.27 0.04 -0.00 0.00 0.00 0.00 0.00 51.96 52.28 1a67 s ALA 90 Cb 0.44 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1a67 s ALA 90 CO 0.01 -0.30 0.00 1.63 0.00 0.00 0.00 175.76 177.10 1a67 n LYS 91 N 4.75 -3.18 -3.96 0.00 4.76 -1.26 -4.79 118.16 114.47 1a67 n LYS 91 Ca -0.14 2.60 -0.10 0.00 -2.87 0.00 0.00 58.31 57.80 1a67 n LYS 91 Cb 0.50 -4.94 -0.03 0.00 -1.84 0.00 0.00 35.03 28.72 1a67 n LYS 91 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1a67 s TYR 92 N -1.57 0.38 0.02 2.13 1.51 -1.26 -3.90 117.35 114.65 1a67 s TYR 92 Ca -0.00 -0.78 -0.28 0.00 -1.01 0.00 0.00 57.07 55.00 1a67 s TYR 92 Cb 0.00 0.32 0.09 0.00 -0.11 0.00 0.00 41.96 42.27 1a67 s TYR 92 CO 0.70 -1.16 0.81 0.95 -1.11 0.00 0.00 175.55 175.75 1a67 s THR 93 N -3.53 0.00 0.15 -0.71 -4.23 0.16 -4.92 115.64 102.56 1a67 s THR 93 Ca 0.21 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.82 1a67 s THR 93 Cb -0.02 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.78 1a67 s THR 93 CO 0.11 0.00 -0.17 0.28 -0.54 0.00 0.00 174.62 174.30 1a67 s THR 94 N -2.91 2.81 0.03 3.99 -1.32 -1.26 -0.18 115.64 116.80 1a67 s THR 94 Ca 0.02 -1.67 -0.11 0.00 -1.21 0.00 0.00 61.69 58.73 1a67 s THR 94 Cb -0.01 -2.33 0.01 0.00 -1.51 0.00 0.00 72.50 68.66 1a67 s THR 94 CO -0.07 -0.00 0.23 0.00 -2.21 0.00 0.00 174.62 172.56 1a67 s THR 96 N -2.21 1.00 0.23 0.00 2.01 -0.33 -0.04 115.64 116.30 1a67 s THR 96 Ca -0.08 -0.50 0.08 0.00 0.31 0.00 0.00 61.69 61.50 1a67 s THR 96 Cb -0.03 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 1a67 s THR 96 CO -0.02 0.30 0.10 -0.36 -0.69 0.00 0.00 174.62 173.95 1a67 s PHE 97 N 0.04 2.95 -0.38 4.92 0.40 -0.36 0.38 117.98 125.92 1a67 s PHE 97 Ca -0.01 -0.14 0.02 0.00 -0.60 0.00 0.00 56.93 56.19 1a67 s PHE 97 Cb -0.09 -1.35 0.15 0.00 0.51 0.00 0.00 43.02 42.25 1a67 s PHE 97 CO 0.01 0.55 0.26 0.08 0.70 0.00 0.00 175.22 176.82 1a67 s VAL 98 N -2.09 0.35 0.63 -0.44 1.01 -0.83 -1.17 120.40 117.87 1a67 s VAL 98 Ca 0.31 -2.12 -0.13 0.00 0.00 0.00 0.00 61.98 60.04 1a67 s VAL 98 Cb -0.08 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 1a67 s VAL 98 CO 0.22 -1.06 1.05 -0.69 0.00 0.00 0.00 175.10 174.62 1a67 s VAL 99 N 0.65 3.97 0.00 2.92 1.01 -0.30 -2.77 120.40 125.89 1a67 s VAL 99 Ca 0.23 0.79 0.05 0.00 0.00 0.00 0.00 61.98 63.05 1a67 s VAL 99 Cb -0.14 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 1a67 s VAL 99 CO -0.06 -0.68 -0.14 -0.47 0.00 0.00 0.00 175.10 173.74 1a67 s TYR 100 N -2.74 1.26 -0.05 5.22 5.04 -0.74 -1.23 117.35 124.11 1a67 s TYR 100 Ca 0.61 -0.27 -0.02 0.00 -2.44 0.00 0.00 57.07 54.95 1a67 s TYR 100 Cb -0.15 -0.79 0.04 0.00 0.35 0.00 0.00 41.96 41.41 1a67 s TYR 100 CO 0.45 -0.00 0.11 0.45 -1.34 0.00 0.00 175.55 175.22 1a67 s SER 101 N -0.56 0.05 -0.20 4.32 0.15 -0.41 0.52 113.70 117.56 1a67 s SER 101 Ca 0.04 0.22 -0.04 0.00 0.70 0.00 0.00 55.95 56.88 1a67 s SER 101 Cb -0.06 0.11 -0.01 0.00 -1.71 0.00 0.00 66.02 64.35 1a67 s SER 101 CO -0.00 -0.15 -0.05 -0.63 1.20 0.00 0.00 173.24 173.61 1a67 s ILE 102 N 1.27 3.46 0.13 6.45 1.01 -0.48 -1.48 121.20 131.54 1a67 s ILE 102 Ca -0.08 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.18 1a67 s ILE 102 Cb -0.12 -2.55 -0.16 0.00 0.01 0.00 0.00 42.46 39.63 1a67 s ILE 102 CO -0.05 0.44 1.34 1.55 0.00 0.00 0.00 174.94 178.22 1a67 h PRO 103 N 7.71 0.00 0.34 2.79 0.13 -1.90 -1.68 132.00 139.39 1a67 h PRO 103 Ca -0.38 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.74 1a67 h PRO 103 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1a67 h PRO 103 CO 0.60 0.91 -0.16 0.11 -0.23 0.00 0.00 178.00 179.23 1a67 h TRP 104 N 0.00 -0.42 0.00 1.56 0.09 -1.95 -3.18 115.95 112.05 1a67 h TRP 104 Ca -0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 58.89 58.95 1a67 h TRP 104 Cb 1.64 0.14 -0.00 0.00 0.08 0.00 0.00 29.16 31.02 1a67 h TRP 104 CO 0.00 -0.26 -0.03 -0.07 0.09 0.00 0.00 178.44 178.17 1a67 h LEU 105 N -1.10 0.00 -2.92 0.11 -0.00 -2.02 -3.46 115.31 105.92 1a67 h LEU 105 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1a67 h LEU 105 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1a67 h LEU 105 CO 0.08 0.03 0.00 -3.20 -0.00 0.00 0.00 178.44 175.35 1a67 n ASN 106 N -4.46 -1.95 -3.60 -0.43 2.85 -0.99 -5.10 115.26 101.58 1a67 n ASN 106 Ca -0.03 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.43 1a67 n ASN 106 Cb 0.11 -0.97 0.00 0.00 1.24 0.00 0.00 39.78 40.17 1a67 n ASN 106 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1a67 s GLN 107 N -2.06 0.90 0.52 1.20 0.74 -0.67 -5.02 119.66 115.27 1a67 s GLN 107 Ca 0.00 -0.55 0.00 0.00 0.05 0.00 0.00 55.36 54.87 1a67 s GLN 107 Cb 0.00 0.28 -0.00 0.00 1.10 0.00 0.00 33.01 34.38 1a67 s GLN 107 CO 0.00 -0.42 0.02 1.51 -0.55 0.00 0.00 175.29 175.85 1a67 n ILE 108 N -0.63 0.00 -3.54 -2.34 3.06 -1.26 -1.39 119.36 113.26 1a67 n ILE 108 Ca -0.04 -2.48 -0.11 0.00 -2.50 0.00 0.00 62.75 57.62 1a67 n ILE 108 Cb 0.60 0.53 -0.03 0.00 0.54 0.00 0.00 39.64 41.29 1a67 n ILE 108 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 1a67 s LYS 109 N -3.86 1.33 -0.88 9.51 2.47 0.18 -4.89 119.74 123.60 1a67 s LYS 109 Ca 0.02 -0.62 -0.00 0.00 -1.56 0.00 0.00 55.97 53.81 1a67 s LYS 109 Cb 0.00 0.57 0.24 0.00 -1.46 0.00 0.00 37.83 37.18 1a67 s LYS 109 CO 0.02 -0.58 0.91 -0.11 0.16 0.00 0.00 175.35 175.74 1a67 n LEU 110 N -0.37 4.51 -0.12 5.43 7.94 -1.26 -1.79 117.00 131.36 1a67 n LEU 110 Ca -0.14 -5.22 -0.05 0.00 -1.11 0.00 0.00 56.01 49.49 1a67 n LEU 110 Cb 0.64 -1.03 -0.04 0.00 0.53 0.00 0.00 43.42 43.51 1a67 n LEU 110 CO 0.14 1.70 0.50 0.25 -1.11 0.00 0.00 177.39 178.86 1a67 h LEU 111 N 5.48 -0.82 0.00 -1.96 5.85 -1.82 -3.47 115.31 118.57 1a67 h LEU 111 Ca 0.18 0.12 0.25 0.00 0.84 0.00 0.00 57.88 59.27 1a67 h LEU 111 Cb 0.74 0.35 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 1a67 h LEU 111 CO 0.94 -0.13 0.70 -1.84 -0.34 0.00 0.00 178.44 177.78 1a67 n GLU 112 N -3.84 0.28 -4.21 1.25 0.28 -1.21 -5.03 120.64 108.16 1a67 n GLU 112 Ca -0.00 -0.85 -0.14 0.00 -0.16 0.00 0.00 57.16 56.01 1a67 n GLU 112 Cb 0.12 1.30 -0.09 0.00 1.43 0.00 0.00 31.44 34.20 1a67 n GLU 112 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1a67 s SER 113 N -3.35 0.53 -0.45 -1.84 1.04 -1.26 -1.96 113.70 106.41 1a67 s SER 113 Ca 0.24 -1.47 0.06 0.00 0.48 0.00 0.00 55.95 55.26 1a67 s SER 113 Cb -0.01 0.44 0.20 0.00 0.10 0.00 0.00 66.02 66.74 1a67 s SER 113 CO 0.01 -0.92 0.55 1.17 0.98 0.00 0.00 173.24 175.03 1a67 n LYS 114 N -0.37 0.45 -4.14 4.02 4.81 0.16 -4.91 118.16 118.17 1a67 n LYS 114 Ca 0.03 -2.69 -0.35 0.00 -0.87 0.00 0.00 58.31 54.43 1a67 n LYS 114 Cb 0.65 -1.51 -0.12 0.00 0.02 0.00 0.00 35.03 34.07 1a67 n LYS 114 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57