#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 -1.57 -0.01 4.61 0.00 -1.26 -5.07 121.76 118.45 1a67 s ALA 10 Ca 0.00 0.35 -0.27 0.00 0.00 0.00 0.00 51.96 52.04 1a67 s ALA 10 Cb 0.00 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 1a67 s ALA 10 CO 0.00 -0.86 0.85 -1.25 0.00 0.00 0.00 175.76 174.50 1a67 s PRO 11 N -3.57 4.52 0.07 0.00 0.04 -1.26 -4.40 135.00 130.39 1a67 s PRO 11 Ca 0.06 1.18 0.02 0.00 0.04 0.00 0.00 61.00 62.31 1a67 s PRO 11 Cb -0.02 -3.44 -0.03 0.00 0.04 0.00 0.00 34.50 31.05 1a67 s PRO 11 CO -0.05 0.04 -0.07 0.14 0.04 0.00 0.00 177.00 177.11 1a67 s VAL 12 N 0.75 0.60 -0.96 -0.36 -7.23 -1.04 -4.99 120.40 107.17 1a67 s VAL 12 Ca 0.45 -1.45 -0.24 0.00 -1.81 0.00 0.00 61.98 58.93 1a67 s VAL 12 Cb -0.20 -1.08 0.04 0.00 0.56 0.00 0.00 36.38 35.70 1a67 s VAL 12 CO 0.24 -0.60 1.45 -2.16 -0.31 0.00 0.00 175.10 173.72 1a67 s PRO 13 N -2.57 3.46 0.04 4.82 0.04 -1.26 -1.90 135.00 137.62 1a67 s PRO 13 Ca -0.00 -0.91 -0.28 0.00 0.04 0.00 0.00 61.00 59.85 1a67 s PRO 13 Cb -0.03 -5.14 -0.14 0.00 0.04 0.00 0.00 34.50 29.23 1a67 s PRO 13 CO -0.02 -2.26 0.69 1.55 0.04 0.00 0.00 177.00 177.00 1a67 n VAL 14 N 6.86 0.41 -1.70 -0.36 3.14 -1.26 -4.77 118.33 120.65 1a67 n VAL 14 Ca 0.28 -0.10 -0.42 0.00 -2.96 0.00 0.00 64.34 61.14 1a67 n VAL 14 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 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 1.23 2.62 -1.45 6.55 5.68 -1.26 -4.85 116.55 125.08 1a67 n ASP 15 Ca 0.15 1.16 -0.07 0.00 -0.50 0.00 0.00 54.79 55.52 1a67 n ASP 15 Cb 0.09 -1.49 0.10 0.00 -1.14 0.00 0.00 41.12 38.69 1a67 n ASP 15 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1a67 n GLU 16 N 0.34 1.84 -0.11 0.11 4.71 -1.26 -3.67 120.64 122.59 1a67 n GLU 16 Ca 0.06 -1.35 0.04 0.00 -0.01 0.00 0.00 57.16 55.89 1a67 n GLU 16 Cb 0.38 -1.60 0.05 0.00 -1.01 0.00 0.00 31.44 29.26 1a67 n GLU 16 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1a67 n ASN 17 N -0.11 1.48 -4.71 1.62 3.02 -1.26 -5.04 115.26 110.27 1a67 n ASN 17 Ca 0.23 -2.25 -0.41 0.00 -0.03 0.00 0.00 54.58 52.12 1a67 n ASN 17 Cb 0.94 -0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 39.88 1a67 n ASN 17 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1a67 s ASP 18 N -1.54 7.21 -0.01 6.41 2.15 -1.24 -4.96 116.67 124.70 1a67 s ASP 18 Ca 0.12 1.47 -0.20 0.00 0.43 0.00 0.00 52.55 54.37 1a67 s ASP 18 Cb 0.10 -2.51 -0.28 0.00 -0.30 0.00 0.00 42.92 39.93 1a67 s ASP 18 CO 0.01 -0.24 1.01 -0.08 -0.17 0.00 0.00 175.17 175.70 1a67 h GLU 19 N 6.85 0.40 -0.03 4.34 4.57 -1.96 -3.27 114.58 125.48 1a67 h GLU 19 Ca -0.39 -0.55 -0.03 0.00 -1.18 0.00 0.00 59.36 57.21 1a67 h GLU 19 Cb 1.20 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.97 1a67 h GLU 19 CO 0.77 1.22 -0.11 0.78 -1.18 0.00 0.00 179.01 180.49 1a67 h GLY 20 N -0.16 0.05 2.00 1.92 0.00 -2.03 -1.07 103.07 103.79 1a67 h GLY 20 Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1a67 h GLY 20 CO 0.16 0.02 0.00 -2.00 0.00 0.00 0.00 176.54 174.72 1a67 h LEU 21 N 0.05 0.00 -0.80 3.11 5.85 -1.98 -2.63 115.31 118.91 1a67 h LEU 21 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1a67 h LEU 21 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1a67 h LEU 21 CO 0.01 0.00 0.00 1.67 -0.34 0.00 0.00 178.44 179.78 1a67 n GLN 22 N -2.68 0.09 0.01 1.25 7.27 -0.40 -0.98 117.38 121.94 1a67 n GLN 22 Ca 0.01 0.54 -0.15 0.00 0.07 0.00 0.00 57.00 57.48 1a67 n GLN 22 Cb 0.28 -1.78 -0.04 0.00 2.41 0.00 0.00 30.24 31.11 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 0.63 0.00 3.69 9.65 -1.64 -2.67 114.38 124.04 1a67 h ARG 23 Ca 0.00 -0.54 0.00 0.00 -1.10 0.00 0.00 59.98 58.34 1a67 h ARG 23 Cb 0.06 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.76 1a67 h ARG 23 CO 0.00 1.16 0.00 0.00 2.80 0.00 0.00 179.97 183.93 1a67 n ALA 24 N -2.57 1.09 -0.05 2.80 0.00 -0.15 -2.10 120.51 119.52 1a67 n ALA 24 Ca -0.07 0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.37 1a67 n ALA 24 Cb 0.76 -1.27 -0.13 0.00 0.00 0.00 0.00 19.45 18.81 1a67 n ALA 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1a67 h LEU 25 N 0.00 0.09 -2.17 0.00 7.12 -1.55 -3.23 115.31 115.57 1a67 h LEU 25 Ca 0.00 -0.94 0.03 0.00 0.13 0.00 0.00 57.88 57.10 1a67 h LEU 25 Cb 0.03 -0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1a67 h LEU 25 CO 0.00 1.13 0.09 1.56 -0.13 0.00 0.00 178.44 181.09 1a67 h GLN 26 N -0.88 0.00 -0.48 1.25 4.20 -1.48 -1.54 115.11 116.18 1a67 h GLN 26 Ca -0.06 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.74 1a67 h GLN 26 Cb 1.16 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.84 1a67 h GLN 26 CO 0.01 0.00 -0.25 0.74 -0.67 0.00 0.00 178.83 178.65 1a67 h PHE 27 N 0.00 -0.67 -0.48 2.96 -1.00 -1.52 -1.11 116.94 115.13 1a67 h PHE 27 Ca 0.05 0.06 -0.13 0.00 2.81 0.00 0.00 57.97 60.76 1a67 h PHE 27 Cb 0.23 0.37 -0.01 0.00 3.61 0.00 0.00 35.95 40.15 1a67 h PHE 27 CO 0.00 -0.33 -0.21 0.00 -1.61 0.00 0.00 178.31 176.16 1a67 h ALA 28 N 1.10 0.72 0.00 2.45 0.00 -1.38 -2.37 119.26 119.78 1a67 h ALA 28 Ca 0.22 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1a67 h ALA 28 Cb 0.50 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1a67 h ALA 28 CO -0.57 0.67 -0.05 0.52 0.00 0.00 0.00 179.25 179.82 1a67 h MET 29 N 0.85 0.00 0.00 0.00 2.86 -1.12 -1.75 114.93 115.77 1a67 h MET 29 Ca 0.11 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.67 1a67 h MET 29 Cb 0.78 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 1a67 h MET 29 CO 0.06 0.05 -0.72 0.00 1.06 0.00 0.00 176.91 177.37 1a67 h ALA 30 N 1.95 0.10 -0.81 6.32 0.00 -0.99 -2.60 119.26 123.23 1a67 h ALA 30 Ca -0.00 -0.73 0.20 0.00 0.00 0.00 0.00 54.91 54.39 1a67 h ALA 30 Cb 0.25 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1a67 h ALA 30 CO 0.01 0.51 0.56 0.93 0.00 0.00 0.00 179.25 181.25 1a67 h GLU 31 N -1.00 0.21 0.01 0.00 5.08 -1.42 0.46 114.58 117.92 1a67 h GLU 31 Ca -0.13 -0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.01 1a67 h GLU 31 Cb 0.79 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1a67 h GLU 31 CO -0.08 0.14 -0.91 -0.92 -1.00 0.00 0.00 179.01 176.24 1a67 h TYR 32 N 0.21 0.31 0.00 4.33 3.20 -1.44 -3.20 116.97 120.38 1a67 h TYR 32 Ca 0.40 -0.18 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 1a67 h TYR 32 Cb 1.26 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.50 1a67 h TYR 32 CO -0.00 1.00 -0.02 -2.95 -1.64 0.00 0.00 178.16 174.55 1a67 h ASN 33 N 0.11 0.00 0.60 -2.11 7.08 0.34 0.49 115.58 122.08 1a67 h ASN 33 Ca -0.05 0.00 -0.25 0.00 -3.08 0.00 0.00 56.30 52.92 1a67 h ASN 33 Cb 1.55 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.79 1a67 h ASN 33 CO 0.14 0.02 -1.11 0.08 -2.08 0.00 0.00 177.43 174.48 1a67 h ARG 34 N 0.00 0.27 0.00 4.14 0.11 -1.50 -3.28 114.38 114.12 1a67 h ARG 34 Ca -0.00 -0.39 0.00 0.00 0.10 0.00 0.00 59.98 59.69 1a67 h ARG 34 Cb 0.05 0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.27 1a67 h ARG 34 CO 0.00 1.14 -0.71 0.00 0.10 0.00 0.00 179.97 180.51 1a67 n ALA 35 N -2.51 3.17 1.94 0.08 0.00 -0.86 -3.81 120.51 118.52 1a67 n ALA 35 Ca -0.07 -0.31 0.13 0.00 0.00 0.00 0.00 53.44 53.20 1a67 n ALA 35 Cb 0.95 -1.11 0.76 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.95 0.15 -0.06 0.00 3.41 0.11 -4.47 113.62 110.81 1a67 n SER 36 Ca 0.03 -1.21 -0.02 0.00 -0.26 0.00 0.00 58.87 57.42 1a67 n SER 36 Cb 0.42 -0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.35 1a67 n SER 36 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1a67 n ASN 37 N -0.80 -0.15 -3.24 4.04 5.03 -1.25 -4.16 115.26 114.72 1a67 n ASN 37 Ca 0.20 0.26 0.00 0.00 0.87 0.00 0.00 54.58 55.90 1a67 n ASN 37 Cb 0.12 -0.04 0.00 0.00 -1.02 0.00 0.00 39.78 38.84 1a67 n ASN 37 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 1a67 n ASP 38 N -4.08 -1.17 -2.64 6.41 5.75 -1.26 -4.99 116.55 114.57 1a67 n ASP 38 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1a67 n ASP 38 Cb 0.04 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.18 1a67 n ASP 38 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1a67 n LYS 39 N -1.17 1.46 0.00 0.11 4.81 -1.26 -5.02 118.16 117.09 1a67 n LYS 39 Ca 0.00 -3.08 0.00 0.00 -0.87 0.00 0.00 58.31 54.36 1a67 n LYS 39 Cb 0.00 -1.20 0.00 0.00 0.02 0.00 0.00 35.03 33.85 1a67 n LYS 39 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1a67 n TYR 40 N -0.54 0.00 0.00 5.64 4.01 -1.25 -3.68 117.16 121.33 1a67 n TYR 40 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1a67 n TYR 40 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.88 1a67 n TYR 40 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1a67 n SER 41 N 0.00 0.00 -4.68 7.72 7.64 0.33 -4.92 113.62 119.71 1a67 n SER 41 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 1a67 n SER 41 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 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 -0.93 5.21 -0.15 6.43 0.01 -1.26 -1.14 113.70 121.86 1a67 s SER 42 Ca 0.00 0.12 -0.34 0.00 1.31 0.00 0.00 55.95 57.04 1a67 s SER 42 Cb 0.00 -1.45 0.14 0.00 0.21 0.00 0.00 66.02 64.92 1a67 s SER 42 CO 0.00 0.36 1.28 -0.13 0.41 0.00 0.00 173.24 175.17 1a67 s ARG 43 N -0.98 0.25 0.37 12.44 0.52 -0.16 -3.76 118.95 127.63 1a67 s ARG 43 Ca 0.14 -0.11 0.08 0.00 -0.52 0.00 0.00 55.73 55.32 1a67 s ARG 43 Cb -0.11 0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.42 1a67 s ARG 43 CO 0.03 -0.11 0.23 0.54 0.02 0.00 0.00 175.30 176.01 1a67 s VAL 44 N -2.31 2.86 -0.07 3.52 0.11 -1.26 -0.81 120.40 122.44 1a67 s VAL 44 Ca 0.12 -1.56 -0.08 0.00 -2.93 0.00 0.00 61.98 57.53 1a67 s VAL 44 Cb 0.01 -3.02 -0.04 0.00 -1.53 0.00 0.00 36.38 31.81 1a67 s VAL 44 CO -0.04 -0.10 -0.16 0.52 -3.33 0.00 0.00 175.10 171.99 1a67 n VAL 45 N -1.30 1.12 -3.68 2.04 0.31 -0.54 -4.76 118.33 111.53 1a67 n VAL 45 Ca -0.01 0.12 0.02 0.00 -0.01 0.00 0.00 64.34 64.46 1a67 n VAL 45 Cb 0.62 -1.85 -0.00 0.00 -0.91 0.00 0.00 33.84 31.70 1a67 n VAL 45 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1a67 s ARG 46 N -2.35 0.39 -0.07 5.55 3.52 -1.25 -5.05 118.95 119.68 1a67 s ARG 46 Ca -0.15 -0.22 -0.06 0.00 -0.13 0.00 0.00 55.73 55.16 1a67 s ARG 46 Cb 0.04 0.13 -0.04 0.00 -1.56 0.00 0.00 34.95 33.51 1a67 s ARG 46 CO 0.21 -0.18 0.18 0.08 -0.81 0.00 0.00 175.30 174.78 1a67 s VAL 47 N -2.33 5.43 -0.03 7.11 1.01 -1.26 -2.81 120.40 127.51 1a67 s VAL 47 Ca 0.17 0.16 0.12 0.00 0.00 0.00 0.00 61.98 62.42 1a67 s VAL 47 Cb 0.04 -3.47 -0.08 0.00 0.00 0.00 0.00 36.38 32.87 1a67 s VAL 47 CO -0.03 0.51 1.30 0.40 0.00 0.00 0.00 175.10 177.28 1a67 h ILE 48 N 3.56 1.19 0.00 2.22 2.04 -1.53 -3.49 117.51 121.50 1a67 h ILE 48 Ca -0.53 -2.73 0.00 0.00 1.00 0.00 0.00 64.86 62.60 1a67 h ILE 48 Cb 1.21 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.87 1a67 h ILE 48 CO 0.62 0.68 0.00 -0.24 0.00 0.00 0.00 178.15 179.21 1a67 n SER 49 N -3.24 0.00 -3.79 1.72 2.88 -1.26 -4.99 113.62 104.94 1a67 n SER 49 Ca -0.01 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 1a67 n SER 49 Cb 0.84 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 64.13 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 -1.92 0.90 0.07 -1.46 0.00 -1.26 -3.46 121.76 114.63 1a67 s ALA 50 Ca 0.00 -0.36 0.10 0.00 0.00 0.00 0.00 51.96 51.70 1a67 s ALA 50 Cb 0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 1a67 s ALA 50 CO 0.00 -0.65 -0.27 0.15 0.00 0.00 0.00 175.76 175.00 1a67 s LYS 51 N 1.89 1.66 -0.02 0.00 1.02 -0.62 -4.11 119.74 119.57 1a67 s LYS 51 Ca 0.03 -1.19 0.06 0.00 0.02 0.00 0.00 55.97 54.89 1a67 s LYS 51 Cb -0.14 -1.94 -0.01 0.00 -0.52 0.00 0.00 37.83 35.22 1a67 s LYS 51 CO -0.06 0.49 -0.19 -0.98 -0.92 0.00 0.00 175.35 173.68 1a67 s ARG 52 N -1.51 1.57 0.42 1.68 1.70 -0.80 -0.18 118.95 121.84 1a67 s ARG 52 Ca 0.12 -0.68 0.08 0.00 -0.47 0.00 0.00 55.73 54.78 1a67 s ARG 52 Cb -0.10 -1.51 -0.01 0.00 -0.57 0.00 0.00 34.95 32.77 1a67 s ARG 52 CO 0.03 0.40 0.46 -0.65 -1.08 0.00 0.00 175.30 174.47 1a67 s GLN 53 N -0.41 2.65 -0.03 3.89 -0.21 0.16 -2.50 119.66 123.21 1a67 s GLN 53 Ca 0.07 -1.42 0.01 0.00 0.02 0.00 0.00 55.36 54.03 1a67 s GLN 53 Cb -0.08 -2.53 0.02 0.00 1.00 0.00 0.00 33.01 31.42 1a67 s GLN 53 CO -0.01 -0.24 -0.04 -1.17 -2.12 0.00 0.00 175.29 171.72 1a67 s LEU 54 N -4.23 1.51 -0.46 2.90 2.96 -1.26 -1.44 118.68 118.66 1a67 s LEU 54 Ca 0.51 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 54.36 1a67 s LEU 54 Cb -0.06 -0.36 0.25 0.00 0.50 0.00 0.00 46.19 46.53 1a67 s LEU 54 CO 0.30 -0.02 0.98 1.33 -1.32 0.00 0.00 176.35 177.61 1a67 n VAL 55 N 3.72 0.00 0.00 1.68 0.24 -1.26 -4.34 118.33 118.37 1a67 n VAL 55 Ca -0.22 -1.34 0.00 0.00 -2.04 0.00 0.00 64.34 60.74 1a67 n VAL 55 Cb 0.53 1.42 0.00 0.00 -1.47 0.00 0.00 33.84 34.32 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 1.51 0.00 0.00 -1.34 2.88 -1.26 -4.88 113.62 110.53 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 6.42 3.29 0.46 0.00 -1.26 -4.98 105.19 109.12 1a67 n GLY 57 Ca 0.00 -1.70 -0.25 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.05 1.76 0.03 -0.61 1.01 -0.67 -4.45 121.20 118.23 1a67 s ILE 58 Ca 0.00 -1.52 0.04 0.00 0.00 0.00 0.00 60.65 59.16 1a67 s ILE 58 Cb 0.00 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1a67 s ILE 58 CO 0.00 -0.02 -0.11 -0.75 0.00 0.00 0.00 174.94 174.07 1a67 s LYS 59 N -1.83 0.74 0.19 2.79 2.20 -0.52 -0.96 119.74 122.34 1a67 s LYS 59 Ca 0.07 -0.64 0.11 0.00 -0.36 0.00 0.00 55.97 55.15 1a67 s LYS 59 Cb -0.10 -0.68 -0.04 0.00 -1.51 0.00 0.00 37.83 35.50 1a67 s LYS 59 CO 0.04 0.16 -0.20 0.71 -0.36 0.00 0.00 175.35 175.70 1a67 s TYR 60 N -0.82 2.38 -0.08 4.03 1.51 -0.62 -0.66 117.35 123.09 1a67 s TYR 60 Ca -0.01 -0.32 -0.03 0.00 -1.01 0.00 0.00 57.07 55.69 1a67 s TYR 60 Cb -0.07 -1.17 0.04 0.00 -0.11 0.00 0.00 41.96 40.65 1a67 s TYR 60 CO 0.01 0.51 0.16 0.96 -1.11 0.00 0.00 175.55 176.08 1a67 s ILE 61 N -1.70 -0.14 -0.04 2.71 -4.36 0.75 -0.97 121.20 117.45 1a67 s ILE 61 Ca 0.22 0.24 0.06 0.00 -0.26 0.00 0.00 60.65 60.91 1a67 s ILE 61 Cb -0.08 -0.28 -0.01 0.00 1.25 0.00 0.00 42.46 43.34 1a67 s ILE 61 CO 0.11 0.10 -0.22 -1.48 0.24 0.00 0.00 174.94 173.69 1a67 s LEU 62 N 1.63 2.02 -0.41 0.37 2.34 -0.56 -1.59 118.68 122.46 1a67 s LEU 62 Ca -0.04 -0.44 -0.00 0.00 0.06 0.00 0.00 54.13 53.70 1a67 s LEU 62 Cb -0.12 -1.20 0.11 0.00 -0.56 0.00 0.00 46.19 44.42 1a67 s LEU 62 CO -0.06 0.22 0.18 -1.10 -1.06 0.00 0.00 176.35 174.54 1a67 s GLN 63 N -0.18 1.90 0.26 1.48 -0.21 -1.22 -0.46 119.66 121.22 1a67 s GLN 63 Ca -0.01 -1.95 0.02 0.00 0.02 0.00 0.00 55.36 53.44 1a67 s GLN 63 Cb -0.12 -3.47 -0.03 0.00 1.00 0.00 0.00 33.01 30.38 1a67 s GLN 63 CO 0.02 -1.05 0.43 0.14 -2.12 0.00 0.00 175.29 172.72 1a67 s VAL 64 N 0.88 5.19 -0.35 1.09 -7.23 -0.42 -1.23 120.40 118.33 1a67 s VAL 64 Ca 0.10 -0.63 0.04 0.00 -1.81 0.00 0.00 61.98 59.68 1a67 s VAL 64 Cb -0.22 -3.82 0.10 0.00 0.56 0.00 0.00 36.38 33.00 1a67 s VAL 64 CO -0.05 -0.36 0.06 -0.70 -0.31 0.00 0.00 175.10 173.74 1a67 s GLU 65 N -3.90 1.51 -0.07 4.82 2.56 -1.12 -1.44 118.70 121.06 1a67 s GLU 65 Ca 0.37 -1.89 -0.03 0.00 0.00 0.00 0.00 54.97 53.42 1a67 s GLU 65 Cb -0.10 -3.23 -0.04 0.00 2.00 0.00 0.00 34.13 32.77 1a67 s GLU 65 CO 0.31 -0.95 0.09 0.96 -0.56 0.00 0.00 175.26 175.12 1a67 s ILE 66 N 0.89 4.96 0.34 -3.70 -4.36 -0.25 -1.46 121.20 117.63 1a67 s ILE 66 Ca 0.11 -0.12 0.05 0.00 -0.26 0.00 0.00 60.65 60.43 1a67 s ILE 66 Cb -0.19 -3.19 -0.03 0.00 1.25 0.00 0.00 42.46 40.30 1a67 s ILE 66 CO -0.08 0.52 0.20 -0.83 0.24 0.00 0.00 174.94 174.99 1a67 s GLY 67 N -1.27 2.31 0.15 6.27 0.00 0.01 0.12 107.32 114.92 1a67 s GLY 67 Ca 0.18 -1.72 -0.05 0.00 0.00 0.00 0.00 44.72 43.12 1a67 s GLY 67 CO 0.08 -1.61 0.40 0.50 0.00 0.00 0.00 173.10 172.47 1a67 s ARG 68 N -3.65 3.64 0.33 2.90 1.81 -1.25 -0.99 118.95 121.75 1a67 s ARG 68 Ca 0.34 -0.05 -0.06 0.00 -1.72 0.00 0.00 55.73 54.25 1a67 s ARG 68 Cb 0.03 -2.82 0.02 0.00 -0.45 0.00 0.00 34.95 31.74 1a67 s ARG 68 CO 0.20 0.45 0.54 0.25 -0.68 0.00 0.00 175.30 176.06 1a67 n THR 69 N 0.04 0.00 -0.95 0.02 -2.24 -0.29 -4.08 114.28 106.78 1a67 n THR 69 Ca -0.02 -1.36 -0.23 0.00 -2.27 0.00 0.00 64.05 60.17 1a67 n THR 69 Cb 0.52 0.96 0.08 0.00 -2.10 0.00 0.00 70.33 69.79 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 -0.51 3.01 -4.16 4.28 -2.24 -0.67 -0.51 114.28 113.47 1a67 n THR 70 Ca -0.03 -1.99 -0.10 0.00 -2.27 0.00 0.00 64.05 59.66 1a67 n THR 70 Cb 0.54 -1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 67.64 1a67 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a67 n PRO 72 N -0.04 3.45 -3.11 0.00 -0.04 -1.24 -3.55 135.00 130.47 1a67 n PRO 72 Ca -0.12 -2.20 -0.21 0.00 -0.04 0.00 0.00 63.50 60.93 1a67 n PRO 72 Cb 0.61 -2.56 -0.04 0.00 -0.04 0.00 0.00 33.50 31.47 1a67 n PRO 72 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1a67 n LYS 73 N 2.84 -1.34 0.00 0.54 2.85 -1.25 -4.75 118.16 117.06 1a67 n LYS 73 Ca 0.67 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.99 1a67 n LYS 73 Cb 0.39 -3.33 0.00 0.00 -0.65 0.00 0.00 35.03 31.44 1a67 n LYS 73 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1a67 n SER 74 N -1.38 0.00 0.00 -5.58 2.88 -1.26 -5.07 113.62 103.20 1a67 n SER 74 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1a67 n SER 74 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 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 0.19 0.00 -3.46 3.41 -1.26 -5.11 113.62 107.39 1a67 n SER 75 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1a67 n SER 75 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.00 1.06 2.76 5.00 0.00 -1.26 -4.88 105.19 107.86 1a67 n GLY 76 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.12 -0.00 1.61 2.03 -1.26 -4.75 116.55 110.06 1a67 n ASP 77 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 1a67 n ASP 77 Cb 0.00 -2.22 -0.07 0.00 -0.72 0.00 0.00 41.12 38.12 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 0.00 0.06 0.00 -2.67 4.77 -1.26 -5.04 117.00 112.87 1a67 n LEU 78 Ca 0.00 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1a67 n LEU 78 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1a67 n LEU 78 CO 0.00 0.02 0.00 0.00 -1.33 0.00 0.00 177.39 176.08 1a67 n GLN 79 N -1.72 0.00 -1.73 3.23 6.02 -1.26 -5.11 117.38 116.81 1a67 n GLN 79 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.56 1a67 n GLN 79 Cb 0.22 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.45 1a67 n GLN 79 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1a67 s SER 80 N 2.00 6.39 0.00 1.08 1.04 -1.26 -4.79 113.70 118.16 1a67 s SER 80 Ca 0.00 2.84 0.00 0.00 0.48 0.00 0.00 55.95 59.27 1a67 s SER 80 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1a67 s SER 80 CO 0.00 -0.98 0.00 0.00 0.98 0.00 0.00 173.24 173.24 1a67 n GLU 82 N 0.00 -1.51 -3.13 0.00 4.71 -1.26 -4.06 120.64 115.39 1a67 n GLU 82 Ca 0.00 1.23 -0.42 0.00 -0.01 0.00 0.00 57.16 57.95 1a67 n GLU 82 Cb 0.00 -1.77 -0.07 0.00 -1.01 0.00 0.00 31.44 28.59 1a67 n GLU 82 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1a67 s PHE 83 N -3.48 3.10 1.02 -0.32 0.40 -1.26 -1.67 117.98 115.77 1a67 s PHE 83 Ca 0.00 0.06 -0.22 0.00 -0.60 0.00 0.00 56.93 56.17 1a67 s PHE 83 Cb 0.00 -3.23 -0.10 0.00 0.51 0.00 0.00 43.02 40.20 1a67 s PHE 83 CO 0.00 -0.76 -0.86 -2.39 0.70 0.00 0.00 175.22 171.91 1a67 n HIS 84 N 6.12 -2.33 -0.84 0.36 1.44 -1.26 -2.27 115.22 116.44 1a67 n HIS 84 Ca -0.02 0.34 0.00 0.00 -2.01 0.00 0.00 57.72 56.03 1a67 n HIS 84 Cb 0.48 -1.47 0.00 0.00 0.12 0.00 0.00 29.99 29.12 1a67 n HIS 84 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1a67 n ASP 85 N 1.96 -1.09 -3.95 4.39 -0.08 -1.26 -3.97 116.55 112.53 1a67 n ASP 85 Ca -0.01 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.89 1a67 n ASP 85 Cb 0.66 -1.28 0.01 0.00 2.34 0.00 0.00 41.12 42.85 1a67 n ASP 85 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1a67 n GLU 86 N -1.81 -0.74 -1.92 -0.67 2.13 -0.96 -4.81 120.64 111.86 1a67 n GLU 86 Ca 0.00 0.34 -0.40 0.00 0.66 0.00 0.00 57.16 57.76 1a67 n GLU 86 Cb 0.06 -2.52 -0.01 0.00 0.27 0.00 0.00 31.44 29.23 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 -4.15 4.33 -0.40 5.31 -0.04 -1.25 -4.79 135.00 134.01 1a67 n PRO 87 Ca -0.18 -3.26 0.38 0.00 -0.04 0.00 0.00 63.50 60.40 1a67 n PRO 87 Cb 0.61 -2.70 0.64 0.00 -0.04 0.00 0.00 33.50 32.01 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 4.81 0.00 -0.77 0.54 5.08 -1.93 -0.89 114.58 121.42 1a67 h GLU 88 Ca 0.70 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.73 1a67 h GLU 88 Cb 0.34 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 29.27 1a67 h GLU 88 CO 1.55 0.00 -0.92 -0.12 -1.00 0.00 0.00 179.01 178.52 1a67 n MET 89 N -3.63 1.13 -3.87 2.33 0.00 -1.26 -5.11 117.12 106.71 1a67 n MET 89 Ca 0.31 -2.80 -0.08 0.00 0.00 0.00 0.00 57.70 55.14 1a67 n MET 89 Cb 1.64 -0.94 -0.03 0.00 0.00 0.00 0.00 33.22 33.89 1a67 n MET 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1a67 s ALA 90 N -1.95 -1.03 -0.33 -5.12 0.00 -0.34 -5.03 121.76 107.96 1a67 s ALA 90 Ca 0.27 -0.39 -0.23 0.00 0.00 0.00 0.00 51.96 51.60 1a67 s ALA 90 Cb 0.42 0.89 0.03 0.00 0.00 0.00 0.00 23.12 24.47 1a67 s ALA 90 CO -0.01 -0.99 0.45 1.63 0.00 0.00 0.00 175.76 176.84 1a67 n LYS 91 N -0.44 -1.77 -1.55 0.00 5.02 -1.26 -4.70 118.16 113.46 1a67 n LYS 91 Ca -0.04 1.52 -0.01 0.00 -2.02 0.00 0.00 58.31 57.76 1a67 n LYS 91 Cb 0.60 -2.75 0.00 0.00 -0.02 0.00 0.00 35.03 32.86 1a67 n LYS 91 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1a67 n TYR 92 N 0.20 -0.99 -3.15 2.13 4.01 -1.26 -4.35 117.16 113.75 1a67 n TYR 92 Ca -0.02 -0.28 0.05 0.00 -0.16 0.00 0.00 57.90 57.49 1a67 n TYR 92 Cb 0.55 0.11 -0.00 0.00 -0.31 0.00 0.00 39.34 39.68 1a67 n TYR 92 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1a67 s THR 93 N -2.75 -0.72 0.37 -0.72 2.01 0.32 -4.88 115.64 109.26 1a67 s THR 93 Ca 0.03 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 61.78 1a67 s THR 93 Cb -0.01 -0.79 -0.10 0.00 0.01 0.00 0.00 72.50 71.61 1a67 s THR 93 CO 0.02 0.00 0.99 0.28 -0.69 0.00 0.00 174.62 175.22 1a67 s THR 94 N 2.88 4.05 -0.23 -0.82 -1.32 -1.26 -1.09 115.64 117.86 1a67 s THR 94 Ca 0.15 1.58 -0.05 0.00 -1.21 0.00 0.00 61.69 62.16 1a67 s THR 94 Cb -0.09 -3.82 0.12 0.00 -1.51 0.00 0.00 72.50 67.21 1a67 s THR 94 CO -0.23 0.01 0.44 0.00 -2.21 0.00 0.00 174.62 172.64 1a67 s THR 96 N 2.63 3.82 0.28 0.00 2.01 -0.69 -1.31 115.64 122.38 1a67 s THR 96 Ca 0.05 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.41 1a67 s THR 96 Cb -0.13 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 1a67 s THR 96 CO -0.15 0.18 0.49 -0.36 -0.69 0.00 0.00 174.62 174.09 1a67 s PHE 97 N 1.50 3.49 0.16 4.92 0.08 0.39 -1.33 117.98 127.18 1a67 s PHE 97 Ca 0.03 0.41 0.10 0.00 0.12 0.00 0.00 56.93 57.60 1a67 s PHE 97 Cb -0.16 -1.92 -0.04 0.00 -0.57 0.00 0.00 43.02 40.32 1a67 s PHE 97 CO 0.01 0.23 -0.23 0.08 -0.10 0.00 0.00 175.22 175.21 1a67 s VAL 98 N -2.09 2.16 0.03 -0.44 1.01 -0.79 -1.49 120.40 118.78 1a67 s VAL 98 Ca 0.40 -1.89 -0.01 0.00 0.00 0.00 0.00 61.98 60.48 1a67 s VAL 98 Cb -0.10 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 1a67 s VAL 98 CO 0.32 -0.10 -0.02 0.68 0.00 0.00 0.00 175.10 175.99 1a67 s VAL 99 N -1.53 0.14 -0.01 2.92 -7.23 -0.14 -2.80 120.40 111.73 1a67 s VAL 99 Ca 0.17 -1.12 0.03 0.00 -1.81 0.00 0.00 61.98 59.24 1a67 s VAL 99 Cb -0.08 -0.60 -0.00 0.00 0.56 0.00 0.00 36.38 36.25 1a67 s VAL 99 CO 0.08 -0.62 -0.10 -0.47 -0.31 0.00 0.00 175.10 173.68 1a67 s TYR 100 N -2.10 0.91 0.01 2.82 5.04 -0.72 -1.59 117.35 121.72 1a67 s TYR 100 Ca -0.10 -0.19 0.00 0.00 -2.44 0.00 0.00 57.07 54.34 1a67 s TYR 100 Cb -0.05 -0.61 -0.01 0.00 0.35 0.00 0.00 41.96 41.64 1a67 s TYR 100 CO -0.03 -0.04 -0.02 0.45 -1.34 0.00 0.00 175.55 174.57 1a67 s SER 101 N -0.10 0.16 -0.08 4.32 0.15 -0.13 0.27 113.70 118.29 1a67 s SER 101 Ca 0.02 -0.27 -0.03 0.00 0.70 0.00 0.00 55.95 56.37 1a67 s SER 101 Cb -0.05 0.05 0.05 0.00 -1.71 0.00 0.00 66.02 64.35 1a67 s SER 101 CO -0.00 -0.15 0.16 -0.63 1.20 0.00 0.00 173.24 173.81 1a67 s ILE 102 N -0.77 -0.22 0.10 6.45 1.01 -0.60 -1.66 121.20 125.51 1a67 s ILE 102 Ca -0.08 0.32 0.10 0.00 0.00 0.00 0.00 60.65 60.99 1a67 s ILE 102 Cb -0.05 -0.29 -0.08 0.00 0.01 0.00 0.00 42.46 42.05 1a67 s ILE 102 CO -0.00 0.13 1.42 1.55 0.00 0.00 0.00 174.94 178.04 1a67 h PRO 103 N 8.11 0.00 -0.01 2.79 0.13 -1.94 -1.51 132.00 139.58 1a67 h PRO 103 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1a67 h PRO 103 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1a67 h PRO 103 CO 0.20 0.76 -0.13 -2.67 -0.23 0.00 0.00 178.00 175.94 1a67 n TRP 104 N -3.43 0.00 -0.20 1.56 2.14 -1.26 -4.00 117.44 112.25 1a67 n TRP 104 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1a67 n TRP 104 Cb 0.79 -0.09 0.00 0.00 -0.81 0.00 0.00 31.31 31.21 1a67 n TRP 104 CO 0.00 0.00 0.00 -0.11 2.07 0.00 0.00 177.69 179.65 1a67 n LEU 105 N -0.45 0.89 -1.85 5.67 -0.00 -1.24 -5.04 117.00 114.97 1a67 n LEU 105 Ca 0.16 -0.89 -0.00 0.00 -0.00 0.00 0.00 56.01 55.28 1a67 n LEU 105 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.74 1a67 n LEU 105 CO 0.22 0.22 0.08 -3.20 -0.00 0.00 0.00 177.39 174.71 1a67 n ASN 106 N -0.04 -3.29 -3.60 1.96 2.85 -1.17 -5.06 115.26 106.90 1a67 n ASN 106 Ca 0.00 -0.02 -0.12 0.00 -0.11 0.00 0.00 54.58 54.33 1a67 n ASN 106 Cb 0.07 -1.95 -0.05 0.00 1.24 0.00 0.00 39.78 39.09 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 -3.01 1.05 -0.29 1.20 0.74 -0.58 -4.96 119.66 113.80 1a67 s GLN 107 Ca 0.00 -0.46 -0.15 0.00 0.05 0.00 0.00 55.36 54.80 1a67 s GLN 107 Cb -0.00 0.47 0.14 0.00 1.10 0.00 0.00 33.01 34.72 1a67 s GLN 107 CO 0.17 -0.40 0.90 -1.50 -0.55 0.00 0.00 175.29 173.91 1a67 s ILE 108 N -3.09 -0.27 0.00 -2.34 2.07 -1.22 -1.55 121.20 114.80 1a67 s ILE 108 Ca -0.02 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.22 1a67 s ILE 108 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1a67 s ILE 108 CO -0.07 0.00 0.00 0.29 -1.91 0.00 0.00 174.94 173.25 1a67 n LYS 109 N 4.37 0.00 -2.82 3.50 4.76 0.76 -4.79 118.16 123.95 1a67 n LYS 109 Ca -0.15 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.27 1a67 n LYS 109 Cb 0.55 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.73 1a67 n LYS 109 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1a67 n LEU 110 N 0.00 -6.25 0.02 -0.35 -0.00 -1.26 -1.75 117.00 107.41 1a67 n LEU 110 Ca 0.00 1.47 0.00 0.00 -0.00 0.00 0.00 56.01 57.48 1a67 n LEU 110 Cb 0.00 -2.79 0.00 0.00 -0.00 0.00 0.00 43.42 40.63 1a67 n LEU 110 CO 0.00 -3.12 0.00 -0.11 -0.00 0.00 0.00 177.39 174.16 1a67 n LEU 111 N 1.36 -0.05 0.00 -1.96 7.94 -1.21 -3.99 117.00 119.09 1a67 n LEU 111 Ca -0.13 0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 1a67 n LEU 111 Cb 0.29 0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.35 1a67 n LEU 111 CO 0.30 -0.52 0.00 -1.84 -1.11 0.00 0.00 177.39 174.21 1a67 n GLU 112 N -2.61 -2.11 -3.78 1.96 0.28 -1.12 -4.98 120.64 108.28 1a67 n GLU 112 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.83 1a67 n GLU 112 Cb 0.00 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 32.71 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 -1.97 0.39 -0.57 -1.84 1.04 -1.26 -1.89 113.70 107.61 1a67 s SER 113 Ca 0.00 0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.48 1a67 s SER 113 Cb 0.00 -0.12 0.14 0.00 0.10 0.00 0.00 66.02 66.14 1a67 s SER 113 CO 0.00 -0.15 0.34 -1.59 0.98 0.00 0.00 173.24 172.82 1a67 s LYS 114 N 1.31 2.22 0.46 4.02 -2.85 -0.44 -4.96 119.74 119.49 1a67 s LYS 114 Ca -0.06 -2.62 0.03 0.00 -1.00 0.00 0.00 55.97 52.33 1a67 s LYS 114 Cb -0.13 -3.48 -0.04 0.00 -2.06 0.00 0.00 37.83 32.12 1a67 s LYS 114 CO -0.03 -1.14 0.02 0.00 0.10 0.00 0.00 175.35 174.30