#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a67 n ALA 10 N 0.00 -3.51 -2.40 4.61 0.00 -1.26 -4.74 120.51 113.21 1a67 n ALA 10 Ca 0.00 0.60 -0.41 0.00 0.00 0.00 0.00 53.44 53.64 1a67 n ALA 10 Cb 0.00 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.10 1a67 n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1a67 s PRO 11 N -3.34 4.58 0.06 0.00 0.04 -1.26 -4.69 135.00 130.40 1a67 s PRO 11 Ca 0.00 1.25 -0.01 0.00 0.04 0.00 0.00 61.00 62.29 1a67 s PRO 11 Cb 0.00 -3.38 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 1a67 s PRO 11 CO 0.00 0.20 -0.03 0.14 0.04 0.00 0.00 177.00 177.36 1a67 s VAL 12 N 0.13 0.26 -0.84 -0.36 -7.23 -1.07 -4.99 120.40 106.30 1a67 s VAL 12 Ca 0.43 -1.83 -0.25 0.00 -1.81 0.00 0.00 61.98 58.53 1a67 s VAL 12 Cb -0.22 -1.56 0.02 0.00 0.56 0.00 0.00 36.38 35.19 1a67 s VAL 12 CO 0.26 -0.96 1.51 -2.16 -0.31 0.00 0.00 175.10 173.44 1a67 s PRO 13 N -3.92 3.17 0.02 4.82 0.04 -1.26 -1.63 135.00 136.24 1a67 s PRO 13 Ca 0.08 -0.44 -0.33 0.00 0.04 0.00 0.00 61.00 60.35 1a67 s PRO 13 Cb 0.08 -4.75 -0.17 0.00 0.04 0.00 0.00 34.50 29.70 1a67 s PRO 13 CO -0.09 -2.42 0.87 1.55 0.04 0.00 0.00 177.00 176.95 1a67 n VAL 14 N 6.88 0.21 -3.64 -0.36 3.14 -1.26 -4.90 118.33 118.39 1a67 n VAL 14 Ca 0.21 -0.05 -0.27 0.00 -2.96 0.00 0.00 64.34 61.26 1a67 n VAL 14 Cb 0.50 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 33.17 1a67 n VAL 14 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1a67 n ASP 15 N 1.35 1.39 -3.44 6.55 5.75 -1.26 -4.86 116.55 122.03 1a67 n ASP 15 Ca 0.17 -2.83 -0.21 0.00 -0.01 0.00 0.00 54.79 51.92 1a67 n ASP 15 Cb 0.09 -0.66 -0.03 0.00 -1.03 0.00 0.00 41.12 39.49 1a67 n ASP 15 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1a67 n GLU 16 N 2.31 -2.13 0.28 0.11 0.28 -1.26 -4.70 120.64 115.53 1a67 n GLU 16 Ca 0.25 0.14 0.15 0.00 -0.16 0.00 0.00 57.16 57.54 1a67 n GLU 16 Cb 0.41 -4.70 0.90 0.00 1.43 0.00 0.00 31.44 29.48 1a67 n GLU 16 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 1a67 h ASN 17 N -0.48 0.00 -3.44 -1.84 2.35 -1.96 -3.41 115.58 106.79 1a67 h ASN 17 Ca -0.31 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.25 1a67 h ASN 17 Cb 1.20 0.00 -0.29 0.00 0.05 0.00 0.00 38.32 39.28 1a67 h ASN 17 CO 0.44 0.00 -0.48 -0.62 -1.65 0.00 0.00 177.43 175.12 1a67 s ASP 18 N -6.09 -0.25 0.42 5.81 2.15 -1.26 -5.02 116.67 112.43 1a67 s ASP 18 Ca -0.05 0.50 0.22 0.00 0.43 0.00 0.00 52.55 53.66 1a67 s ASP 18 Cb 0.15 0.41 0.87 0.00 -0.30 0.00 0.00 42.92 44.05 1a67 s ASP 18 CO 0.55 -0.15 1.81 -0.08 -0.17 0.00 0.00 175.17 177.13 1a67 h GLU 19 N 6.93 0.00 0.00 4.34 4.57 -2.00 -2.73 114.58 125.69 1a67 h GLU 19 Ca -0.38 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1a67 h GLU 19 Cb 1.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1a67 h GLU 19 CO 0.38 0.27 0.00 0.41 -1.18 0.00 0.00 179.01 178.88 1a67 n GLY 20 N 0.12 -0.80 0.33 1.92 0.00 -1.26 -1.82 105.19 103.69 1a67 n GLY 20 Ca -0.00 0.13 0.22 0.00 0.00 0.00 0.00 46.02 46.37 1a67 n GLY 20 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a67 h LEU 21 N 0.00 0.00 -0.94 0.99 7.12 -1.92 -1.64 115.31 118.92 1a67 h LEU 21 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1a67 h LEU 21 Cb 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.16 1a67 h LEU 21 CO 0.00 0.00 0.00 1.67 -0.13 0.00 0.00 178.44 179.98 1a67 n GLN 22 N -3.10 0.09 0.05 1.25 0.00 -0.75 -1.15 117.38 113.77 1a67 n GLN 22 Ca -0.02 0.58 -0.20 0.00 -0.00 0.00 0.00 57.00 57.36 1a67 n GLN 22 Cb 0.12 -1.80 -0.12 0.00 0.00 0.00 0.00 30.24 28.44 1a67 n GLN 22 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.06 177.13 1a67 h ARG 23 N 0.00 0.56 -0.18 3.69 0.11 -1.55 -3.04 114.38 113.97 1a67 h ARG 23 Ca 0.00 -0.69 0.05 0.00 0.10 0.00 0.00 59.98 59.45 1a67 h ARG 23 Cb 0.01 0.21 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 1a67 h ARG 23 CO 0.00 1.29 0.29 0.00 0.10 0.00 0.00 179.97 181.64 1a67 h ALA 24 N 0.30 1.69 -0.46 0.08 0.00 -1.32 0.96 119.26 120.51 1a67 h ALA 24 Ca -0.14 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1a67 h ALA 24 Cb 1.68 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1a67 h ALA 24 CO 0.19 -0.38 -0.15 1.25 0.00 0.00 0.00 179.25 180.16 1a67 h LEU 25 N 0.00 0.93 -0.76 0.00 7.12 -1.57 -2.20 115.31 118.83 1a67 h LEU 25 Ca 0.09 -0.38 0.00 0.00 0.13 0.00 0.00 57.88 57.72 1a67 h LEU 25 Cb 0.66 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.53 1a67 h LEU 25 CO -0.00 1.10 0.00 0.00 -0.13 0.00 0.00 178.44 179.41 1a67 n GLN 26 N -4.21 0.13 -0.05 1.25 6.02 0.33 -1.93 117.38 118.91 1a67 n GLN 26 Ca -0.00 0.47 -0.18 0.00 -0.01 0.00 0.00 57.00 57.28 1a67 n GLN 26 Cb 0.41 -1.81 -0.13 0.00 1.02 0.00 0.00 30.24 29.73 1a67 n GLN 26 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1a67 h PHE 27 N 0.00 0.13 -0.07 1.08 3.04 -1.37 -3.31 116.94 116.44 1a67 h PHE 27 Ca 0.00 -0.09 -0.16 0.00 3.98 0.00 0.00 57.97 61.69 1a67 h PHE 27 Cb 0.20 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 1a67 h PHE 27 CO 0.00 1.25 -0.67 0.00 -2.02 0.00 0.00 178.31 176.88 1a67 h ALA 28 N -0.13 0.73 0.00 2.41 0.00 -1.34 -3.09 119.26 117.84 1a67 h ALA 28 Ca -0.16 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.13 1a67 h ALA 28 Cb 1.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1a67 h ALA 28 CO -0.03 0.76 -0.18 1.98 0.00 0.00 0.00 179.25 181.78 1a67 h MET 29 N 0.21 0.00 -0.23 0.00 1.85 -1.55 -2.26 114.93 112.95 1a67 h MET 29 Ca -0.02 0.00 -0.15 0.00 -0.61 0.00 0.00 59.70 58.93 1a67 h MET 29 Cb 1.21 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.24 1a67 h MET 29 CO 0.11 0.18 -0.43 0.00 -0.40 0.00 0.00 176.91 176.36 1a67 h ALA 30 N 1.82 0.36 -0.42 0.39 0.00 -1.62 -2.63 119.26 117.17 1a67 h ALA 30 Ca -0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 1a67 h ALA 30 Cb 0.35 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1a67 h ALA 30 CO 0.02 0.48 -0.19 0.93 0.00 0.00 0.00 179.25 180.50 1a67 h GLU 31 N 0.40 0.81 -0.60 0.00 5.08 -1.53 -2.76 114.58 115.99 1a67 h GLU 31 Ca 0.01 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 1a67 h GLU 31 Cb 1.03 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 1a67 h GLU 31 CO 0.10 0.94 0.21 -0.92 -1.00 0.00 0.00 179.01 178.33 1a67 h TYR 32 N 0.71 0.90 -0.30 4.33 3.20 -1.39 -1.50 116.97 122.93 1a67 h TYR 32 Ca 0.10 -0.06 0.09 0.00 3.14 0.00 0.00 58.73 62.00 1a67 h TYR 32 Cb 0.70 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1a67 h TYR 32 CO 0.04 0.71 0.56 -0.97 -1.64 0.00 0.00 178.16 176.86 1a67 h ASN 33 N 0.86 0.00 -0.43 -2.11 -1.24 -1.15 0.11 115.58 111.63 1a67 h ASN 33 Ca 0.20 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.15 1a67 h ASN 33 Cb 0.22 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 1a67 h ASN 33 CO -0.01 0.00 0.05 0.08 -1.29 0.00 0.00 177.43 176.26 1a67 h ARG 34 N 0.00 0.72 0.00 6.67 0.11 -1.37 -2.55 114.38 117.96 1a67 h ARG 34 Ca 0.14 -0.20 0.00 0.00 0.10 0.00 0.00 59.98 60.02 1a67 h ARG 34 Cb 1.27 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1a67 h ARG 34 CO -0.00 0.77 0.00 0.00 0.10 0.00 0.00 179.97 180.83 1a67 h ALA 35 N 0.93 1.00 0.00 0.08 0.00 -0.93 -1.38 119.26 118.96 1a67 h ALA 35 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1a67 h ALA 35 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1a67 h ALA 35 CO 0.01 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 1a67 n SER 36 N -2.87 0.00 -0.27 0.00 3.41 -0.96 -2.69 113.62 110.25 1a67 n SER 36 Ca -0.02 -1.09 0.03 0.00 -0.26 0.00 0.00 58.87 57.54 1a67 n SER 36 Cb 0.13 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.11 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 -0.89 1.64 -3.75 4.04 4.05 -0.52 -5.01 115.26 114.81 1a67 n ASN 37 Ca 0.17 -1.34 0.00 0.00 0.45 0.00 0.00 54.58 53.86 1a67 n ASN 37 Cb 0.08 -0.01 0.00 0.00 1.23 0.00 0.00 39.78 41.07 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 0.34 -0.39 -1.24 1.20 5.75 -1.09 -4.92 116.55 116.19 1a67 n ASP 38 Ca 0.04 -0.01 -0.07 0.00 -0.01 0.00 0.00 54.79 54.74 1a67 n ASP 38 Cb 0.18 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 40.40 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 -0.40 2.42 0.00 0.11 0.00 -1.26 -5.00 118.16 114.02 1a67 n LYS 39 Ca 0.00 -3.63 0.00 0.00 -0.00 0.00 0.00 58.31 54.68 1a67 n LYS 39 Cb 0.00 -1.91 0.00 0.00 -0.00 0.00 0.00 35.03 33.12 1a67 n LYS 39 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1a67 n TYR 40 N -0.96 0.00 -5.14 5.58 4.01 -1.26 -4.76 117.16 114.64 1a67 n TYR 40 Ca 0.31 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.73 1a67 n TYR 40 Cb 0.83 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.71 1a67 n TYR 40 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1a67 s SER 41 N 2.00 3.45 0.16 7.72 1.04 0.44 -2.42 113.70 126.09 1a67 s SER 41 Ca 0.00 -0.36 0.08 0.00 0.48 0.00 0.00 55.95 56.15 1a67 s SER 41 Cb 0.00 -0.54 -0.04 0.00 0.10 0.00 0.00 66.02 65.53 1a67 s SER 41 CO 0.00 0.33 -0.06 -0.44 0.98 0.00 0.00 173.24 174.05 1a67 s SER 42 N -0.67 4.48 -0.30 7.02 0.01 -1.26 -0.12 113.70 122.87 1a67 s SER 42 Ca 0.11 -0.46 -0.20 0.00 1.31 0.00 0.00 55.95 56.71 1a67 s SER 42 Cb -0.10 -0.86 0.19 0.00 0.21 0.00 0.00 66.02 65.45 1a67 s SER 42 CO -0.00 0.12 1.25 0.00 0.41 0.00 0.00 173.24 175.01 1a67 s ARG 43 N -2.71 0.15 0.42 12.44 1.70 -0.56 -4.94 118.95 125.44 1a67 s ARG 43 Ca 0.25 0.22 -0.16 0.00 -0.47 0.00 0.00 55.73 55.57 1a67 s ARG 43 Cb -0.10 0.05 -0.09 0.00 -0.57 0.00 0.00 34.95 34.25 1a67 s ARG 43 CO 0.16 -0.03 0.87 0.54 -1.08 0.00 0.00 175.30 175.76 1a67 s VAL 44 N 0.70 4.58 -0.17 4.99 0.11 -1.26 -1.52 120.40 127.83 1a67 s VAL 44 Ca -0.02 1.10 -0.10 0.00 -2.93 0.00 0.00 61.98 60.02 1a67 s VAL 44 Cb -0.04 -3.66 -0.22 0.00 -1.53 0.00 0.00 36.38 30.93 1a67 s VAL 44 CO -0.12 -0.43 0.20 0.52 -3.33 0.00 0.00 175.10 171.94 1a67 n VAL 45 N -0.97 1.66 0.00 2.04 0.31 -0.91 -4.86 118.33 115.61 1a67 n VAL 45 Ca 0.05 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1a67 n VAL 45 Cb 0.54 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 1a67 n VAL 45 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1a67 n ARG 46 N -3.78 0.00 -2.93 5.55 0.63 -1.26 -5.08 116.66 109.79 1a67 n ARG 46 Ca -0.35 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.24 1a67 n ARG 46 Cb 0.93 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.77 1a67 n ARG 46 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1a67 s VAL 47 N -2.00 4.46 -0.13 5.15 1.01 -1.26 -3.24 120.40 124.38 1a67 s VAL 47 Ca 0.00 1.38 0.17 0.00 0.00 0.00 0.00 61.98 63.53 1a67 s VAL 47 Cb 0.00 -3.70 -0.23 0.00 0.00 0.00 0.00 36.38 32.45 1a67 s VAL 47 CO 0.00 -0.15 0.41 -0.38 0.00 0.00 0.00 175.10 174.98 1a67 n ILE 48 N -0.23 1.24 0.00 2.22 5.41 -0.02 -4.96 119.36 123.01 1a67 n ILE 48 Ca 0.04 -0.77 0.00 0.00 1.00 0.00 0.00 62.75 63.02 1a67 n ILE 48 Cb 0.53 -0.60 0.00 0.00 -0.71 0.00 0.00 39.64 38.86 1a67 n ILE 48 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1a67 n SER 49 N -2.79 0.00 -4.30 4.38 3.41 -1.26 -4.96 113.62 108.11 1a67 n SER 49 Ca -0.21 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.07 1a67 n SER 49 Cb 1.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.79 1a67 n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a67 s ALA 50 N -1.38 2.42 -0.03 7.33 0.00 -1.26 -2.48 121.76 126.36 1a67 s ALA 50 Ca 0.00 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.05 1a67 s ALA 50 Cb 0.00 -1.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.08 1a67 s ALA 50 CO 0.00 0.24 -0.11 0.15 0.00 0.00 0.00 175.76 176.04 1a67 s LYS 51 N 0.39 1.11 -0.06 0.00 1.02 -0.62 -4.11 119.74 117.47 1a67 s LYS 51 Ca -0.14 -0.38 0.03 0.00 0.02 0.00 0.00 55.97 55.50 1a67 s LYS 51 Cb -0.17 -1.02 -0.03 0.00 -0.52 0.00 0.00 37.83 36.09 1a67 s LYS 51 CO 0.06 0.16 -0.12 -0.98 -0.92 0.00 0.00 175.35 173.55 1a67 s ARG 52 N 0.08 2.61 0.15 1.68 1.70 -0.64 -0.72 118.95 123.81 1a67 s ARG 52 Ca -0.02 -0.66 0.06 0.00 -0.47 0.00 0.00 55.73 54.65 1a67 s ARG 52 Cb -0.08 -2.45 -0.04 0.00 -0.57 0.00 0.00 34.95 31.81 1a67 s ARG 52 CO 0.01 0.61 -0.14 -1.14 -1.08 0.00 0.00 175.30 173.56 1a67 s GLN 53 N -0.70 1.12 0.08 3.89 0.74 -0.57 -2.60 119.66 121.62 1a67 s GLN 53 Ca 0.11 -1.37 0.09 0.00 0.05 0.00 0.00 55.36 54.23 1a67 s GLN 53 Cb -0.11 -0.93 -0.04 0.00 1.10 0.00 0.00 33.01 33.03 1a67 s GLN 53 CO 0.01 0.16 -0.21 -0.48 -0.55 0.00 0.00 175.29 174.23 1a67 s LEU 54 N -2.79 2.52 -0.41 3.68 0.05 -1.26 -1.35 118.68 119.12 1a67 s LEU 54 Ca 0.14 -0.54 0.01 0.00 0.05 0.00 0.00 54.13 53.79 1a67 s LEU 54 Cb -0.03 -1.44 0.24 0.00 -2.05 0.00 0.00 46.19 42.91 1a67 s LEU 54 CO 0.04 0.22 1.03 1.33 -0.55 0.00 0.00 176.35 178.42 1a67 n VAL 55 N 1.27 0.00 0.00 1.48 0.24 -1.26 -4.89 118.33 115.17 1a67 n VAL 55 Ca -0.16 -0.96 0.00 0.00 -2.04 0.00 0.00 64.34 61.18 1a67 n VAL 55 Cb 0.52 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 34.06 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 1.86 0.00 0.00 -1.34 2.88 -1.26 -4.84 113.62 110.92 1a67 n SER 56 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1a67 n SER 56 Cb 0.65 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 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 4.93 3.26 0.46 0.00 -1.26 -4.71 105.19 107.87 1a67 n GLY 57 Ca 0.00 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 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 0.63 1.53 -0.07 -0.61 -1.09 -0.53 -4.40 121.20 116.67 1a67 s ILE 58 Ca 0.00 -1.55 -0.05 0.00 -2.23 0.00 0.00 60.65 56.83 1a67 s ILE 58 Cb 0.00 -1.47 0.03 0.00 -1.58 0.00 0.00 42.46 39.44 1a67 s ILE 58 CO 0.00 -0.17 0.16 -0.75 -1.23 0.00 0.00 174.94 172.95 1a67 s LYS 59 N -2.06 0.15 0.10 2.79 2.20 -0.45 -0.32 119.74 122.15 1a67 s LYS 59 Ca 0.06 0.31 0.02 0.00 -0.36 0.00 0.00 55.97 56.00 1a67 s LYS 59 Cb -0.09 -0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.16 1a67 s LYS 59 CO 0.04 -0.09 0.20 0.71 -0.36 0.00 0.00 175.35 175.85 1a67 s TYR 60 N 0.60 3.39 -0.21 4.03 1.51 -0.23 -1.52 117.35 124.93 1a67 s TYR 60 Ca -0.04 0.14 -0.04 0.00 -1.01 0.00 0.00 57.07 56.12 1a67 s TYR 60 Cb -0.06 -1.67 0.08 0.00 -0.11 0.00 0.00 41.96 40.20 1a67 s TYR 60 CO -0.03 0.55 0.16 0.96 -1.11 0.00 0.00 175.55 176.08 1a67 s ILE 61 N -1.59 -0.20 0.13 2.71 -4.36 0.10 -0.73 121.20 117.27 1a67 s ILE 61 Ca 0.33 -0.25 0.07 0.00 -0.26 0.00 0.00 60.65 60.54 1a67 s ILE 61 Cb -0.12 -0.70 -0.04 0.00 1.25 0.00 0.00 42.46 42.85 1a67 s ILE 61 CO 0.26 -0.33 -0.06 -1.48 0.24 0.00 0.00 174.94 173.58 1a67 s LEU 62 N 2.22 3.17 -0.36 0.37 0.05 -0.31 -1.58 118.68 122.23 1a67 s LEU 62 Ca 0.05 -0.37 0.01 0.00 0.05 0.00 0.00 54.13 53.87 1a67 s LEU 62 Cb -0.16 -1.91 0.10 0.00 -2.05 0.00 0.00 46.19 42.17 1a67 s LEU 62 CO -0.16 0.15 0.11 -1.10 -0.55 0.00 0.00 176.35 174.80 1a67 s GLN 63 N -2.46 1.76 0.19 1.48 -0.21 -1.04 -0.38 119.66 119.01 1a67 s GLN 63 Ca 0.24 -1.81 0.00 0.00 0.02 0.00 0.00 55.36 53.81 1a67 s GLN 63 Cb -0.11 -3.35 -0.04 0.00 1.00 0.00 0.00 33.01 30.51 1a67 s GLN 63 CO 0.16 -0.97 0.36 0.14 -2.12 0.00 0.00 175.29 172.86 1a67 s VAL 64 N 1.02 5.23 -0.68 1.09 -7.23 0.68 -0.84 120.40 119.67 1a67 s VAL 64 Ca 0.09 -0.44 0.02 0.00 -1.81 0.00 0.00 61.98 59.84 1a67 s VAL 64 Cb -0.21 -3.73 0.17 0.00 0.56 0.00 0.00 36.38 33.17 1a67 s VAL 64 CO -0.06 -0.15 0.48 -0.70 -0.31 0.00 0.00 175.10 174.35 1a67 s GLU 65 N -3.30 2.50 0.05 4.82 2.56 -1.20 -0.96 118.70 123.18 1a67 s GLU 65 Ca 0.37 -3.03 -0.19 0.00 0.00 0.00 0.00 54.97 52.13 1a67 s GLU 65 Cb -0.11 -3.54 -0.06 0.00 2.00 0.00 0.00 34.13 32.41 1a67 s GLU 65 CO 0.29 -1.22 0.56 0.96 -0.56 0.00 0.00 175.26 175.29 1a67 s ILE 66 N -0.93 4.79 0.28 -3.70 -4.36 0.11 -2.14 121.20 115.25 1a67 s ILE 66 Ca 0.22 1.19 0.05 0.00 -0.26 0.00 0.00 60.65 61.84 1a67 s ILE 66 Cb -0.13 -3.89 -0.06 0.00 1.25 0.00 0.00 42.46 39.63 1a67 s ILE 66 CO -0.09 0.54 0.01 -0.83 0.24 0.00 0.00 174.94 174.80 1a67 s GLY 67 N -0.97 1.85 0.49 6.27 0.00 -0.58 0.12 107.32 114.50 1a67 s GLY 67 Ca 0.29 -1.93 0.04 0.00 0.00 0.00 0.00 44.72 43.12 1a67 s GLY 67 CO 0.18 -1.78 0.12 0.50 0.00 0.00 0.00 173.10 172.13 1a67 s ARG 68 N -3.84 2.18 0.13 2.90 0.52 -1.26 -1.49 118.95 118.10 1a67 s ARG 68 Ca 0.32 -2.19 -0.07 0.00 -0.52 0.00 0.00 55.73 53.27 1a67 s ARG 68 Cb 0.06 -1.75 -0.01 0.00 0.52 0.00 0.00 34.95 33.77 1a67 s ARG 68 CO 0.12 -0.34 0.20 -0.08 0.02 0.00 0.00 175.30 175.23 1a67 s THR 69 N -2.79 0.10 -0.16 0.02 -1.32 0.83 -3.95 115.64 108.37 1a67 s THR 69 Ca 0.22 -1.43 -0.00 0.00 -1.21 0.00 0.00 61.69 59.27 1a67 s THR 69 Cb 0.02 -1.70 0.14 0.00 -1.51 0.00 0.00 72.50 69.45 1a67 s THR 69 CO 0.12 -0.47 1.76 1.07 -2.21 0.00 0.00 174.62 174.89 1a67 n THR 70 N -0.13 2.15 -4.82 5.08 5.66 -0.58 -2.08 114.28 119.56 1a67 n THR 70 Ca -0.10 -0.93 -0.28 0.00 -3.05 0.00 0.00 64.05 59.69 1a67 n THR 70 Cb 0.63 -1.23 -0.15 0.00 -1.55 0.00 0.00 70.33 68.04 1a67 n THR 70 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a67 n PRO 72 N 1.86 2.94 -1.19 0.00 -0.04 -1.26 0.17 135.00 137.47 1a67 n PRO 72 Ca -0.17 -2.84 -0.07 0.00 -0.04 0.00 0.00 63.50 60.38 1a67 n PRO 72 Cb 0.52 -3.37 -0.03 0.00 -0.04 0.00 0.00 33.50 30.59 1a67 n PRO 72 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1a67 n LYS 73 N 7.04 -1.57 -1.86 0.54 4.81 -1.01 -4.83 118.16 121.28 1a67 n LYS 73 Ca 0.51 0.69 -0.28 0.00 -0.87 0.00 0.00 58.31 58.36 1a67 n LYS 73 Cb 0.42 -4.98 0.04 0.00 0.02 0.00 0.00 35.03 30.52 1a67 n LYS 73 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1a67 n SER 74 N -0.90 5.78 -2.66 3.14 3.41 -1.26 -4.79 113.62 116.35 1a67 n SER 74 Ca -0.07 -3.76 -0.33 0.00 -0.26 0.00 0.00 58.87 54.46 1a67 n SER 74 Cb 0.49 -0.55 -0.01 0.00 -0.26 0.00 0.00 64.21 63.88 1a67 n SER 74 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1a67 n SER 75 N -0.75 6.96 -3.22 4.04 3.41 -1.26 -4.94 113.62 117.87 1a67 n SER 75 Ca 0.49 -3.49 -0.14 0.00 -0.26 0.00 0.00 58.87 55.47 1a67 n SER 75 Cb 0.84 -1.15 0.14 0.00 -0.26 0.00 0.00 64.21 63.77 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 0.20 -2.90 3.84 5.00 0.00 -1.26 -5.02 105.19 105.05 1a67 n GLY 76 Ca 0.51 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 1a67 n GLY 76 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a67 n ASP 77 N -3.09 2.47 -4.07 1.61 5.75 -1.26 -4.65 116.55 113.30 1a67 n ASP 77 Ca 0.06 -2.73 -0.36 0.00 -0.01 0.00 0.00 54.79 51.75 1a67 n ASP 77 Cb 0.28 -0.21 -0.02 0.00 -1.03 0.00 0.00 41.12 40.14 1a67 n ASP 77 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1a67 n LEU 78 N 0.00 -1.15 0.00 -2.12 4.32 -1.26 -4.73 117.00 112.06 1a67 n LEU 78 Ca 0.06 -1.21 0.00 0.00 -0.02 0.00 0.00 56.01 54.84 1a67 n LEU 78 Cb 0.61 -1.82 0.00 0.00 -1.62 0.00 0.00 43.42 40.59 1a67 n LEU 78 CO 0.38 0.60 0.00 0.00 -1.22 0.00 0.00 177.39 177.15 1a67 n GLN 79 N -4.69 0.00 0.00 3.23 1.13 -1.26 -5.17 117.38 110.62 1a67 n GLN 79 Ca -0.21 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.85 1a67 n GLN 79 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.98 1a67 n GLN 79 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1a67 n SER 80 N -0.27 0.00 -1.01 1.08 2.88 -1.26 -5.17 113.62 109.88 1a67 n SER 80 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1a67 n SER 80 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1a67 n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a67 s GLU 82 N -3.84 1.05 0.39 0.00 2.02 -1.26 -4.99 118.70 112.07 1a67 s GLU 82 Ca 0.00 0.08 0.15 0.00 0.02 0.00 0.00 54.97 55.23 1a67 s GLU 82 Cb 0.00 0.49 0.84 0.00 0.10 0.00 0.00 34.13 35.57 1a67 s GLU 82 CO 0.00 -0.35 1.39 0.74 0.02 0.00 0.00 175.26 177.06 1a67 h PHE 83 N 2.92 0.00 -2.49 1.61 -1.00 -1.92 -1.55 116.94 114.51 1a67 h PHE 83 Ca -0.28 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.50 1a67 h PHE 83 Cb 1.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.73 1a67 h PHE 83 CO 0.37 0.00 0.00 1.58 -1.61 0.00 0.00 178.31 178.65 1a67 n HIS 84 N -2.20 0.00 0.00 -0.55 -0.00 -1.26 -3.12 115.22 108.09 1a67 n HIS 84 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 1a67 n HIS 84 Cb 0.35 -1.59 0.00 0.00 -0.00 0.00 0.00 29.99 28.75 1a67 n HIS 84 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1a67 n ASP 85 N -1.00 0.00 0.00 0.26 2.03 -1.26 -4.68 116.55 111.90 1a67 n ASP 85 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1a67 n ASP 85 Cb 0.42 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 1a67 n ASP 85 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1a67 n GLU 86 N 0.00 0.00 0.00 -0.67 1.02 -1.26 -4.94 120.64 114.79 1a67 n GLU 86 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1a67 n GLU 86 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1a67 n GLU 86 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1a67 n PRO 87 N 0.00 3.07 -0.18 3.49 -0.04 -1.26 -4.54 135.00 135.55 1a67 n PRO 87 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1a67 n PRO 87 Cb 0.00 0.00 0.42 0.00 -0.04 0.00 0.00 33.50 33.88 1a67 n PRO 87 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1a67 h GLU 88 N 0.00 0.58 -0.87 0.54 4.11 -2.03 0.35 114.58 117.25 1a67 h GLU 88 Ca 0.00 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.37 1a67 h GLU 88 Cb 0.00 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1a67 h GLU 88 CO 0.00 0.38 0.03 -1.33 0.07 0.00 0.00 179.01 178.16 1a67 n MET 89 N -4.49 2.24 -4.23 1.06 2.81 -1.26 -4.84 117.12 108.41 1a67 n MET 89 Ca 0.13 -1.08 -0.13 0.00 -1.81 0.00 0.00 57.70 54.81 1a67 n MET 89 Cb 0.37 -1.72 -0.10 0.00 -0.71 0.00 0.00 33.22 31.06 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 -1.55 1.32 -0.14 3.04 0.00 0.12 -4.95 121.76 119.60 1a67 s ALA 90 Ca 0.19 -1.43 -0.13 0.00 0.00 0.00 0.00 51.96 50.59 1a67 s ALA 90 Cb 0.15 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.35 1a67 s ALA 90 CO 0.05 -0.12 0.21 0.36 0.00 0.00 0.00 175.76 176.26 1a67 n LYS 91 N -0.09 -0.62 -3.80 0.00 2.85 -1.26 -4.65 118.16 110.59 1a67 n LYS 91 Ca -0.11 0.47 -0.05 0.00 -1.05 0.00 0.00 58.31 57.58 1a67 n LYS 91 Cb 0.60 -0.66 -0.01 0.00 -0.65 0.00 0.00 35.03 34.31 1a67 n LYS 91 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1a67 s TYR 92 N -0.49 -0.10 -0.25 5.58 2.02 -1.26 -4.48 117.35 118.37 1a67 s TYR 92 Ca 0.12 -0.27 -0.07 0.00 -0.37 0.00 0.00 57.07 56.48 1a67 s TYR 92 Cb -0.01 0.68 0.12 0.00 -0.40 0.00 0.00 41.96 42.34 1a67 s TYR 92 CO 0.28 -0.98 0.50 0.99 -1.57 0.00 0.00 175.55 174.77 1a67 s THR 93 N -3.25 -0.79 0.31 -0.71 2.01 0.32 -4.89 115.64 108.65 1a67 s THR 93 Ca 0.13 0.07 -0.18 0.00 0.31 0.00 0.00 61.69 62.02 1a67 s THR 93 Cb -0.03 -0.82 -0.09 0.00 0.01 0.00 0.00 72.50 71.57 1a67 s THR 93 CO 0.04 0.02 0.78 0.28 -0.69 0.00 0.00 174.62 175.05 1a67 s THR 94 N 2.72 4.57 0.20 -0.82 -1.32 -1.26 0.04 115.64 119.76 1a67 s THR 94 Ca 0.01 1.18 -0.21 0.00 -1.21 0.00 0.00 61.69 61.47 1a67 s THR 94 Cb -0.13 -3.71 0.05 0.00 -1.51 0.00 0.00 72.50 67.20 1a67 s THR 94 CO -0.16 -0.07 0.60 0.00 -2.21 0.00 0.00 174.62 172.79 1a67 s THR 96 N -3.82 0.03 0.33 0.00 2.01 0.43 -0.23 115.64 114.39 1a67 s THR 96 Ca 0.06 0.31 -0.16 0.00 0.31 0.00 0.00 61.69 62.20 1a67 s THR 96 Cb -0.02 -0.24 -0.09 0.00 0.01 0.00 0.00 72.50 72.16 1a67 s THR 96 CO -0.06 0.19 0.77 -0.36 -0.69 0.00 0.00 174.62 174.47 1a67 s PHE 97 N 1.90 3.40 -0.26 4.92 0.08 0.49 -0.13 117.98 128.38 1a67 s PHE 97 Ca 0.02 1.30 -0.01 0.00 0.12 0.00 0.00 56.93 58.36 1a67 s PHE 97 Cb -0.12 -2.60 0.08 0.00 -0.57 0.00 0.00 43.02 39.81 1a67 s PHE 97 CO -0.03 0.09 0.07 0.08 -0.10 0.00 0.00 175.22 175.32 1a67 s VAL 98 N -1.96 0.77 0.38 -0.44 1.01 -1.03 -1.16 120.40 117.97 1a67 s VAL 98 Ca 0.54 -1.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 1a67 s VAL 98 Cb -0.11 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 1a67 s VAL 98 CO 0.17 -0.47 0.67 -0.69 0.00 0.00 0.00 175.10 174.78 1a67 s VAL 99 N 1.70 4.94 0.06 2.92 1.01 0.09 -2.33 120.40 128.79 1a67 s VAL 99 Ca 0.05 0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.28 1a67 s VAL 99 Cb -0.17 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1a67 s VAL 99 CO -0.18 -0.54 -0.20 -0.47 0.00 0.00 0.00 175.10 173.71 1a67 s TYR 100 N -2.36 1.72 -0.30 5.22 6.14 -0.51 -1.07 117.35 126.19 1a67 s TYR 100 Ca 0.46 -0.39 -0.01 0.00 0.64 0.00 0.00 57.07 57.77 1a67 s TYR 100 Cb -0.10 -1.00 0.12 0.00 0.42 0.00 0.00 41.96 41.40 1a67 s TYR 100 CO 0.35 0.12 0.23 0.45 0.64 0.00 0.00 175.55 177.34 1a67 s SER 101 N -1.43 2.48 -0.28 4.32 0.15 0.56 -1.46 113.70 118.04 1a67 s SER 101 Ca 0.06 -1.18 -0.23 0.00 0.70 0.00 0.00 55.95 55.30 1a67 s SER 101 Cb -0.09 0.09 -0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1a67 s SER 101 CO 0.03 -0.39 0.77 0.27 1.20 0.00 0.00 173.24 175.12 1a67 s ILE 102 N 2.05 4.84 -0.03 6.45 -4.36 0.02 -1.45 121.20 128.72 1a67 s ILE 102 Ca 0.11 1.30 0.12 0.00 -0.26 0.00 0.00 60.65 61.91 1a67 s ILE 102 Cb -0.16 -4.10 -0.11 0.00 1.25 0.00 0.00 42.46 39.34 1a67 s ILE 102 CO -0.28 -0.15 1.21 1.55 0.24 0.00 0.00 174.94 177.51 1a67 h PRO 103 N 7.94 0.00 0.06 0.37 0.13 -1.84 -1.68 132.00 136.98 1a67 h PRO 103 Ca -0.24 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.61 1a67 h PRO 103 Cb 1.10 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.25 1a67 h PRO 103 CO 0.86 0.68 -1.13 0.11 -0.23 0.00 0.00 178.00 178.29 1a67 h TRP 104 N 0.00 0.92 0.00 1.56 0.09 -1.91 -3.28 115.95 113.33 1a67 h TRP 104 Ca -0.06 -0.55 0.00 0.00 0.09 0.00 0.00 58.89 58.38 1a67 h TRP 104 Cb 1.64 -0.09 0.00 0.00 0.08 0.00 0.00 29.16 30.79 1a67 h TRP 104 CO 0.00 1.39 -0.77 1.28 0.09 0.00 0.00 178.44 180.42 1a67 n LEU 105 N -3.79 0.70 -2.35 0.11 7.99 -1.26 -5.00 117.00 113.41 1a67 n LEU 105 Ca -0.11 -0.18 -0.01 0.00 -0.01 0.00 0.00 56.01 55.70 1a67 n LEU 105 Cb 0.93 -0.13 0.00 0.00 -0.11 0.00 0.00 43.42 44.11 1a67 n LEU 105 CO 0.56 0.15 0.17 -3.20 -1.51 0.00 0.00 177.39 173.56 1a67 n ASN 106 N -1.58 -5.24 -3.75 -1.43 2.85 -0.96 -5.06 115.26 100.08 1a67 n ASN 106 Ca 0.04 0.01 -0.05 0.00 -0.11 0.00 0.00 54.58 54.47 1a67 n ASN 106 Cb 0.35 -3.40 -0.01 0.00 1.24 0.00 0.00 39.78 37.95 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 -2.84 1.55 0.11 1.20 0.74 -0.67 -5.02 119.66 114.73 1a67 s GLN 107 Ca 0.02 -0.87 0.04 0.00 0.05 0.00 0.00 55.36 54.60 1a67 s GLN 107 Cb -0.01 0.52 -0.04 0.00 1.10 0.00 0.00 33.01 34.59 1a67 s GLN 107 CO 0.42 -0.71 -0.11 -1.50 -0.55 0.00 0.00 175.29 172.84 1a67 s ILE 108 N -3.52 1.04 0.17 -2.34 2.07 -1.26 -0.80 121.20 116.55 1a67 s ILE 108 Ca 0.12 -1.70 -0.00 0.00 -1.41 0.00 0.00 60.65 57.66 1a67 s ILE 108 Cb -0.04 -1.45 -0.04 0.00 0.13 0.00 0.00 42.46 41.06 1a67 s ILE 108 CO 0.05 -0.55 0.07 -0.54 -1.91 0.00 0.00 174.94 172.06 1a67 s LYS 109 N -2.87 1.07 -0.60 3.50 1.02 -0.53 -4.96 119.74 116.36 1a67 s LYS 109 Ca 0.07 -1.53 0.04 0.00 0.02 0.00 0.00 55.97 54.57 1a67 s LYS 109 Cb -0.03 0.12 0.16 0.00 -0.52 0.00 0.00 37.83 37.57 1a67 s LYS 109 CO 0.01 -0.28 0.41 -1.17 -0.92 0.00 0.00 175.35 173.40 1a67 s LEU 110 N -3.12 3.85 0.02 3.17 1.98 -1.26 -1.43 118.68 121.89 1a67 s LEU 110 Ca 0.29 -3.48 -0.03 0.00 -2.89 0.00 0.00 54.13 48.02 1a67 s LEU 110 Cb 0.07 -1.33 -0.01 0.00 0.66 0.00 0.00 46.19 45.58 1a67 s LEU 110 CO 0.06 -0.14 1.06 0.25 -1.89 0.00 0.00 176.35 175.69 1a67 h LEU 111 N 5.70 -0.23 0.00 -0.68 5.85 -1.80 -3.48 115.31 120.68 1a67 h LEU 111 Ca 0.13 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1a67 h LEU 111 Cb 0.82 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1a67 h LEU 111 CO 0.62 -0.03 0.00 -1.84 -0.34 0.00 0.00 178.44 176.85 1a67 n GLU 112 N -3.20 -3.13 -3.55 1.25 0.28 -1.25 -5.03 120.64 106.01 1a67 n GLU 112 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.59 1a67 n GLU 112 Cb 0.03 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.83 1a67 n GLU 112 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1a67 s SER 113 N -1.17 5.83 -0.70 -1.84 0.15 -1.26 -2.46 113.70 112.25 1a67 s SER 113 Ca 0.00 -2.39 -0.26 0.00 0.70 0.00 0.00 55.95 54.00 1a67 s SER 113 Cb 0.00 -2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 62.25 1a67 s SER 113 CO 0.00 -0.57 2.01 -0.75 1.20 0.00 0.00 173.24 175.13 1a67 s LYS 114 N 0.64 2.45 0.21 5.44 2.20 0.81 -4.64 119.74 126.85 1a67 s LYS 114 Ca 0.12 0.44 0.09 0.00 -0.36 0.00 0.00 55.97 56.26 1a67 s LYS 114 Cb -0.21 -4.65 -0.05 0.00 -1.51 0.00 0.00 37.83 31.42 1a67 s LYS 114 CO -0.03 -3.14 -0.17 0.00 -0.36 0.00 0.00 175.35 171.64