#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr5 s SER 2 N 0.00 6.65 -0.00 1.61 1.04 -1.26 -5.03 113.70 116.71 2cr5 s SER 2 Ca 0.00 2.50 -0.01 0.00 0.48 0.00 0.00 55.95 58.92 2cr5 s SER 2 Cb 0.00 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.45 2cr5 s SER 2 CO 0.00 -0.60 0.13 -0.44 0.98 0.00 0.00 173.24 173.31 2cr5 s SER 3 N -0.83 6.00 0.00 7.02 0.01 -1.26 -5.00 113.70 119.65 2cr5 s SER 3 Ca 0.53 0.24 0.00 0.00 1.31 0.00 0.00 55.95 58.02 2cr5 s SER 3 Cb -0.35 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.08 2cr5 s SER 3 CO 0.45 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.98 2cr5 n GLY 4 N 1.05 2.75 3.62 3.44 0.00 -1.26 -5.06 105.19 109.73 2cr5 n GLY 4 Ca -0.12 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 2cr5 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr5 s SER 5 N 0.00 6.69 -0.42 1.61 0.01 -1.26 -4.93 113.70 115.41 2cr5 s SER 5 Ca 0.00 0.76 0.05 0.00 1.31 0.00 0.00 55.95 58.07 2cr5 s SER 5 Cb 0.00 -2.40 0.69 0.00 0.21 0.00 0.00 66.02 64.51 2cr5 s SER 5 CO 0.00 -0.55 1.89 -1.54 0.41 0.00 0.00 173.24 173.45 2cr5 n SER 6 N 6.08 4.02 0.00 2.44 3.41 -1.26 -5.03 113.62 123.27 2cr5 n SER 6 Ca 0.03 -3.50 0.00 0.00 -0.26 0.00 0.00 58.87 55.14 2cr5 n SER 6 Cb 0.48 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 2cr5 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr5 n GLY 7 N -0.89 0.27 1.56 5.00 0.00 -1.26 -4.75 105.19 105.11 2cr5 n GLY 7 Ca 0.55 -2.07 -0.05 0.00 0.00 0.00 0.00 46.02 44.45 2cr5 n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2cr5 n GLU 8 N 0.00 2.01 -4.59 1.61 -0.00 -1.26 -5.02 120.64 113.38 2cr5 n GLU 8 Ca 0.00 -3.40 -0.31 0.00 -0.00 0.00 0.00 57.16 53.45 2cr5 n GLU 8 Cb 0.00 -1.56 -0.17 0.00 -0.00 0.00 0.00 31.44 29.71 2cr5 n GLU 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2cr5 s VAL 9 N -3.23 1.83 1.22 3.84 0.11 -1.26 -5.13 120.40 117.78 2cr5 s VAL 9 Ca 0.40 -0.84 -0.20 0.00 -2.93 0.00 0.00 61.98 58.40 2cr5 s VAL 9 Cb 0.38 -1.64 0.30 0.00 -1.53 0.00 0.00 36.38 33.89 2cr5 s VAL 9 CO -0.05 0.51 1.11 -2.16 -3.33 0.00 0.00 175.10 171.18 2cr5 s PRO 10 N 0.88 -1.38 0.11 1.54 0.04 -1.26 -5.02 135.00 129.91 2cr5 s PRO 10 Ca -0.07 -0.13 0.02 0.00 0.04 0.00 0.00 61.00 60.87 2cr5 s PRO 10 Cb -0.15 -1.58 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 2cr5 s PRO 10 CO -0.02 -3.80 -0.07 -0.51 0.04 0.00 0.00 177.00 172.64 2cr5 s ASP 11 N -3.94 1.27 0.05 6.66 1.01 -1.26 -5.12 116.67 115.34 2cr5 s ASP 11 Ca 0.71 -1.00 -0.07 0.00 0.71 0.00 0.00 52.55 52.91 2cr5 s ASP 11 Cb -0.09 0.07 -0.05 0.00 1.01 0.00 0.00 42.92 43.87 2cr5 s ASP 11 CO 0.56 -0.44 0.32 -0.76 0.21 0.00 0.00 175.17 175.06 2cr5 s LEU 12 N -3.06 4.34 0.84 1.23 1.43 -1.26 -5.09 118.68 117.12 2cr5 s LEU 12 Ca 0.13 0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 53.72 2cr5 s LEU 12 Cb 0.05 -2.89 0.10 0.00 0.03 0.00 0.00 46.19 43.48 2cr5 s LEU 12 CO -0.04 0.19 1.09 -2.16 0.23 0.00 0.00 176.35 175.67 2cr5 s PRO 13 N -2.01 1.68 0.44 1.29 0.04 -1.26 -4.95 135.00 130.22 2cr5 s PRO 13 Ca 0.32 0.97 -0.22 0.00 0.04 0.00 0.00 61.00 62.11 2cr5 s PRO 13 Cb -0.13 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.45 2cr5 s PRO 13 CO 0.19 -1.99 0.65 0.39 0.04 0.00 0.00 177.00 176.28 2cr5 n GLU 14 N -3.73 0.73 -3.36 4.56 -0.58 -1.26 -4.93 120.64 112.06 2cr5 n GLU 14 Ca 0.08 0.27 -0.38 0.00 -0.42 0.00 0.00 57.16 56.71 2cr5 n GLU 14 Cb 0.54 -1.65 -0.07 0.00 -0.57 0.00 0.00 31.44 29.69 2cr5 n GLU 14 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2cr5 s GLU 15 N -1.75 4.23 0.12 3.49 2.56 -1.26 -5.04 118.70 121.05 2cr5 s GLU 15 Ca 0.64 0.28 -0.31 0.00 0.00 0.00 0.00 54.97 55.59 2cr5 s GLU 15 Cb -0.58 -3.50 -0.08 0.00 2.00 0.00 0.00 34.13 31.97 2cr5 s GLU 15 CO 0.57 0.02 1.35 -1.25 -0.56 0.00 0.00 175.26 175.39 2cr5 s PRO 16 N 1.11 4.34 0.63 4.30 0.04 -1.26 -5.03 135.00 139.13 2cr5 s PRO 16 Ca 0.21 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.18 2cr5 s PRO 16 Cb -0.15 -3.25 0.16 0.00 0.04 0.00 0.00 34.50 31.30 2cr5 s PRO 16 CO 0.08 -0.39 0.55 0.45 0.04 0.00 0.00 177.00 177.74 2cr5 n SER 17 N 3.72 -1.63 0.11 6.66 2.88 -1.26 -4.52 113.62 119.58 2cr5 n SER 17 Ca 0.10 -0.82 0.02 0.00 -1.33 0.00 0.00 58.87 56.84 2cr5 n SER 17 Cb 0.43 -0.51 -0.00 0.00 -0.75 0.00 0.00 64.21 63.38 2cr5 n SER 17 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2cr5 h GLU 18 N 0.00 0.00 -0.01 -1.46 4.57 -1.97 -3.21 114.58 112.49 2cr5 h GLU 18 Ca -0.21 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 2cr5 h GLU 18 Cb 0.64 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 2cr5 h GLU 18 CO 0.14 0.45 -0.02 0.25 -1.18 0.00 0.00 179.01 178.64 2cr5 n THR 19 N -3.13 0.00 -1.17 0.32 -2.24 -1.26 -4.92 114.28 101.88 2cr5 n THR 19 Ca -0.01 -0.21 -0.29 0.00 -2.27 0.00 0.00 64.05 61.27 2cr5 n THR 19 Cb 0.76 0.39 0.17 0.00 -2.10 0.00 0.00 70.33 69.55 2cr5 n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cr5 s ALA 20 N -2.05 1.00 0.00 6.98 0.00 -1.22 -5.05 121.76 121.43 2cr5 s ALA 20 Ca 0.38 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 52.00 2cr5 s ALA 20 Cb 0.21 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 2cr5 s ALA 20 CO 0.36 -2.80 0.10 -1.21 0.00 0.00 0.00 175.76 172.20 2cr5 s GLU 21 N -4.96 3.13 -1.46 0.00 0.41 -1.26 -4.47 118.70 110.08 2cr5 s GLU 21 Ca 0.65 -0.47 -0.10 0.00 -0.41 0.00 0.00 54.97 54.63 2cr5 s GLU 21 Cb -0.18 -2.89 0.06 0.00 -1.78 0.00 0.00 34.13 29.33 2cr5 s GLU 21 CO 0.58 0.64 0.98 0.39 -0.49 0.00 0.00 175.26 177.36 2cr5 n GLU 22 N 1.05 -5.90 -4.88 1.61 1.02 -1.26 -4.85 120.64 107.42 2cr5 n GLU 22 Ca -0.12 0.65 -0.27 0.00 -0.02 0.00 0.00 57.16 57.40 2cr5 n GLU 22 Cb 0.53 -5.52 -0.16 0.00 -0.02 0.00 0.00 31.44 26.26 2cr5 n GLU 22 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2cr5 s VAL 23 N -3.37 1.53 0.39 2.62 0.11 -1.26 0.42 120.40 120.84 2cr5 s VAL 23 Ca 0.53 -0.74 0.08 0.00 -2.93 0.00 0.00 61.98 58.91 2cr5 s VAL 23 Cb -0.26 -1.33 -0.06 0.00 -1.53 0.00 0.00 36.38 33.20 2cr5 s VAL 23 CO 0.81 0.44 0.05 0.68 -3.33 0.00 0.00 175.10 173.75 2cr5 s VAL 24 N 0.26 2.27 -0.49 2.04 -7.23 -0.70 -4.90 120.40 111.65 2cr5 s VAL 24 Ca -0.10 -1.92 -0.15 0.00 -1.81 0.00 0.00 61.98 58.00 2cr5 s VAL 24 Cb -0.14 -2.92 0.09 0.00 0.56 0.00 0.00 36.38 33.97 2cr5 s VAL 24 CO 0.04 -0.07 0.42 -0.89 -0.31 0.00 0.00 175.10 174.29 2cr5 s THR 25 N -2.62 5.19 -0.49 5.32 2.01 -1.26 -0.45 115.64 123.33 2cr5 s THR 25 Ca 0.37 -1.21 -0.11 0.00 0.31 0.00 0.00 61.69 61.04 2cr5 s THR 25 Cb 0.05 -4.17 0.12 0.00 0.01 0.00 0.00 72.50 68.51 2cr5 s THR 25 CO 0.20 -0.67 0.38 -0.69 -0.69 0.00 0.00 174.62 173.15 2cr5 s VAL 26 N 1.62 4.47 -0.03 3.82 1.01 0.28 -1.66 120.40 129.91 2cr5 s VAL 26 Ca 0.04 -1.71 -0.12 0.00 0.00 0.00 0.00 61.98 60.19 2cr5 s VAL 26 Cb -0.26 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 2cr5 s VAL 26 CO 0.05 -0.80 0.32 0.00 0.00 0.00 0.00 175.10 174.68 2cr5 s ALA 27 N 1.42 3.76 -0.17 5.51 0.00 -1.14 -2.77 121.76 128.37 2cr5 s ALA 27 Ca 0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 51.96 51.63 2cr5 s ALA 27 Cb -0.27 -2.25 -0.02 0.00 0.00 0.00 0.00 23.12 20.59 2cr5 s ALA 27 CO 0.00 0.53 -0.08 -0.51 0.00 0.00 0.00 175.76 175.70 2cr5 s LEU 28 N -1.12 2.89 -0.11 0.00 1.43 0.79 0.02 118.68 122.59 2cr5 s LEU 28 Ca 0.22 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 52.85 2cr5 s LEU 28 Cb -0.15 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 2cr5 s LEU 28 CO 0.11 0.10 0.39 -0.13 0.23 0.00 0.00 176.35 177.05 2cr5 s ARG 29 N 0.74 4.20 0.12 1.70 0.52 -0.55 -1.30 118.95 124.39 2cr5 s ARG 29 Ca -0.04 0.30 -0.05 0.00 -0.52 0.00 0.00 55.73 55.42 2cr5 s ARG 29 Cb -0.15 -3.38 -0.05 0.00 0.52 0.00 0.00 34.95 31.88 2cr5 s ARG 29 CO 0.02 0.31 0.36 0.00 0.02 0.00 0.00 175.30 176.02 2cr5 n PRO 31 N 0.27 0.06 0.11 0.00 -0.04 -1.26 -2.25 135.00 131.88 2cr5 n PRO 31 Ca -0.04 0.31 0.05 0.00 -0.04 0.00 0.00 63.50 63.78 2cr5 n PRO 31 Cb 0.52 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 2cr5 n PRO 31 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2cr5 h ASN 32 N 0.00 0.00 0.00 3.54 -1.24 -1.97 -3.48 115.58 112.44 2cr5 h ASN 32 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2cr5 h ASN 32 Cb 0.28 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.33 2cr5 h ASN 32 CO 0.00 0.36 0.00 0.61 -1.29 0.00 0.00 177.43 177.11 2cr5 n GLY 33 N 1.26 1.14 3.84 1.57 0.00 -0.95 -5.12 105.19 106.92 2cr5 n GLY 33 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2cr5 n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cr5 s ARG 34 N 0.00 4.04 -0.07 1.61 1.81 -1.26 -4.81 118.95 120.27 2cr5 s ARG 34 Ca 0.00 0.94 -0.03 0.00 -1.72 0.00 0.00 55.73 54.92 2cr5 s ARG 34 Cb 0.00 -2.20 0.04 0.00 -0.45 0.00 0.00 34.95 32.34 2cr5 s ARG 34 CO 0.00 -0.12 0.13 0.54 -0.68 0.00 0.00 175.30 175.17 2cr5 s VAL 35 N -2.39 -0.22 0.08 3.52 0.11 -1.26 0.12 120.40 120.37 2cr5 s VAL 35 Ca 0.59 0.37 -0.15 0.00 -2.93 0.00 0.00 61.98 59.86 2cr5 s VAL 35 Cb -0.10 -0.25 -0.06 0.00 -1.53 0.00 0.00 36.38 34.44 2cr5 s VAL 35 CO 0.23 0.15 0.50 -0.76 -3.33 0.00 0.00 175.10 171.90 2cr5 s LEU 36 N 2.22 4.43 -0.12 2.54 1.43 -0.42 -4.90 118.68 123.86 2cr5 s LEU 36 Ca 0.03 1.06 0.01 0.00 -1.03 0.00 0.00 54.13 54.20 2cr5 s LEU 36 Cb -0.12 -2.95 -0.01 0.00 0.03 0.00 0.00 46.19 43.14 2cr5 s LEU 36 CO -0.05 0.22 -0.17 -0.13 0.23 0.00 0.00 176.35 176.44 2cr5 s ARG 37 N -1.50 3.25 -0.10 1.70 0.52 -1.26 -0.14 118.95 121.41 2cr5 s ARG 37 Ca 0.31 -0.76 -0.15 0.00 -0.52 0.00 0.00 55.73 54.61 2cr5 s ARG 37 Cb -0.16 -2.50 0.03 0.00 0.52 0.00 0.00 34.95 32.84 2cr5 s ARG 37 CO 0.17 0.20 0.37 1.03 0.02 0.00 0.00 175.30 177.10 2cr5 s ARG 38 N 0.35 0.54 0.51 3.54 0.52 -1.12 -4.98 118.95 118.31 2cr5 s ARG 38 Ca -0.14 0.31 -0.08 0.00 -0.52 0.00 0.00 55.73 55.30 2cr5 s ARG 38 Cb -0.17 0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.51 2cr5 s ARG 38 CO 0.07 -0.10 0.86 1.03 0.02 0.00 0.00 175.30 177.17 2cr5 s ARG 39 N -0.31 3.60 -0.21 3.54 0.52 -1.26 -0.56 118.95 124.27 2cr5 s ARG 39 Ca -0.05 0.41 -0.10 0.00 -0.52 0.00 0.00 55.73 55.48 2cr5 s ARG 39 Cb -0.03 -2.29 0.08 0.00 0.52 0.00 0.00 34.95 33.23 2cr5 s ARG 39 CO 0.02 -0.29 0.49 -0.06 0.02 0.00 0.00 175.30 175.48 2cr5 s PHE 40 N -2.81 -0.81 1.08 -0.53 0.40 0.40 -4.45 117.98 111.25 2cr5 s PHE 40 Ca 0.50 1.61 -0.18 0.00 -0.60 0.00 0.00 56.93 58.27 2cr5 s PHE 40 Cb -0.10 0.40 0.08 0.00 0.51 0.00 0.00 43.02 43.90 2cr5 s PHE 40 CO 0.45 -0.45 0.04 1.19 0.70 0.00 0.00 175.22 177.15 2cr5 n PHE 41 N 4.72 -1.49 1.11 0.36 3.72 -1.26 -1.72 117.46 122.90 2cr5 n PHE 41 Ca -0.17 0.17 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 2cr5 n PHE 41 Cb 0.54 -1.61 0.19 0.00 -0.94 0.00 0.00 39.48 37.66 2cr5 n PHE 41 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2cr5 n LYS 42 N -1.77 0.73 0.01 -1.08 5.02 0.17 -4.03 118.16 117.20 2cr5 n LYS 42 Ca 0.02 -0.51 -0.07 0.00 -2.02 0.00 0.00 58.31 55.73 2cr5 n LYS 42 Cb 0.61 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 34.00 2cr5 n LYS 42 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2cr5 h SER 43 N 1.25 0.00 -3.56 4.39 0.87 -1.91 -3.25 113.55 111.34 2cr5 h SER 43 Ca 0.00 0.00 -0.47 0.00 -1.23 0.00 0.00 61.79 60.09 2cr5 h SER 43 Cb 0.58 0.00 0.21 0.00 -0.44 0.00 0.00 62.40 62.75 2cr5 h SER 43 CO 0.00 0.95 0.01 0.79 -0.53 0.00 0.00 176.83 178.05 2cr5 n TRP 44 N -3.10 -0.53 -4.65 2.24 8.01 -1.26 -4.68 117.44 113.47 2cr5 n TRP 44 Ca -0.12 0.06 -0.34 0.00 -1.31 0.00 0.00 57.50 55.79 2cr5 n TRP 44 Cb 1.00 -1.80 -0.12 0.00 -2.01 0.00 0.00 31.31 28.38 2cr5 n TRP 44 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.69 177.89 2cr5 s ASN 45 N -2.45 4.56 0.35 -0.99 2.47 -1.26 -1.09 114.94 116.52 2cr5 s ASN 45 Ca 0.67 -0.06 0.28 0.00 0.42 0.00 0.00 52.86 54.17 2cr5 s ASN 45 Cb -0.24 -1.19 1.16 0.00 -1.45 0.00 0.00 41.25 39.53 2cr5 s ASN 45 CO 0.63 0.34 1.16 -1.54 -3.72 0.00 0.00 177.10 173.96 2cr5 n SER 46 N 2.38 0.11 -0.32 -4.21 3.41 -1.25 0.26 113.62 114.00 2cr5 n SER 46 Ca -0.18 0.94 0.01 0.00 -0.26 0.00 0.00 58.87 59.39 2cr5 n SER 46 Cb 0.53 -0.46 0.08 0.00 -0.26 0.00 0.00 64.21 64.09 2cr5 n SER 46 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2cr5 h GLN 47 N 0.00 -0.03 -1.14 4.33 5.75 -1.90 0.81 115.11 122.93 2cr5 h GLN 47 Ca 0.67 0.00 0.34 0.00 -0.15 0.00 0.00 58.65 59.50 2cr5 h GLN 47 Cb 2.31 0.01 -0.11 0.00 1.07 0.00 0.00 27.48 30.76 2cr5 h GLN 47 CO -0.25 -0.02 0.73 -0.24 -2.65 0.00 0.00 178.83 176.41 2cr5 h VAL 48 N -0.03 0.35 0.33 2.39 3.04 -0.60 -0.27 116.25 121.45 2cr5 h VAL 48 Ca 0.37 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.97 2cr5 h VAL 48 Cb 0.62 0.06 -0.03 0.00 -2.01 0.00 0.00 31.29 29.93 2cr5 h VAL 48 CO -0.91 0.05 -0.38 -0.07 -1.01 0.00 0.00 177.57 175.26 2cr5 h LEU 49 N 0.27 -1.04 -1.07 3.16 3.38 0.50 -1.12 115.31 119.38 2cr5 h LEU 49 Ca 0.69 0.09 0.22 0.00 0.09 0.00 0.00 57.88 58.97 2cr5 h LEU 49 Cb 1.93 0.36 -0.11 0.00 0.09 0.00 0.00 40.66 42.93 2cr5 h LEU 49 CO -0.37 -0.51 0.61 -0.07 0.09 0.00 0.00 178.44 178.19 2cr5 h LEU 50 N -0.74 0.70 -0.51 1.67 3.38 -1.06 0.16 115.31 118.90 2cr5 h LEU 50 Ca -0.02 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2cr5 h LEU 50 Cb 0.68 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2cr5 h LEU 50 CO -0.09 0.20 0.14 0.44 0.09 0.00 0.00 178.44 179.22 2cr5 h ASP 51 N 0.65 0.75 -0.36 -0.43 3.32 -1.17 -2.43 116.42 116.75 2cr5 h ASP 51 Ca 0.60 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 57.34 2cr5 h ASP 51 Cb 1.08 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 2cr5 h ASP 51 CO -0.39 0.77 -0.11 -0.25 -1.72 0.00 0.00 179.24 177.54 2cr5 h TRP 52 N 0.70 0.81 -0.35 4.55 7.01 0.37 -2.64 115.95 126.39 2cr5 h TRP 52 Ca 0.16 -0.18 0.06 0.00 2.11 0.00 0.00 58.89 61.04 2cr5 h TRP 52 Cb 0.30 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.15 2cr5 h TRP 52 CO 0.02 0.88 0.24 1.98 -2.79 0.00 0.00 178.44 178.77 2cr5 h MET 53 N 0.51 0.20 0.00 2.65 4.05 -0.69 0.60 114.93 122.25 2cr5 h MET 53 Ca 0.09 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.45 2cr5 h MET 53 Cb 0.64 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.38 2cr5 h MET 53 CO 0.04 0.14 -0.24 0.52 0.23 0.00 0.00 176.91 177.60 2cr5 h MET 54 N 0.21 0.00 0.00 0.39 2.86 -0.96 -2.05 114.93 115.38 2cr5 h MET 54 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2cr5 h MET 54 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2cr5 h MET 54 CO -0.03 0.24 0.00 1.63 1.06 0.00 0.00 176.91 179.81 2cr5 n LYS 55 N -3.18 0.02 -0.02 1.72 4.76 0.18 -3.10 118.16 118.54 2cr5 n LYS 55 Ca 0.03 0.05 0.03 0.00 -2.87 0.00 0.00 58.31 55.55 2cr5 n LYS 55 Cb 0.60 -1.52 -0.14 0.00 -1.84 0.00 0.00 35.03 32.13 2cr5 n LYS 55 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2cr5 n VAL 56 N -1.56 0.63 0.00 -0.18 0.24 -1.09 -4.97 118.33 111.41 2cr5 n VAL 56 Ca 0.06 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 2cr5 n VAL 56 Cb 0.32 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 2cr5 n VAL 56 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2cr5 n GLY 57 N 1.41 1.56 2.97 7.63 0.00 -1.18 -5.13 105.19 112.45 2cr5 n GLY 57 Ca -0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 2cr5 n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cr5 s TYR 58 N -1.76 1.36 0.56 1.61 2.02 -0.78 -5.03 117.35 115.33 2cr5 s TYR 58 Ca 0.00 -0.55 -0.05 0.00 -0.37 0.00 0.00 57.07 56.10 2cr5 s TYR 58 Cb 0.00 -1.06 0.00 0.00 -0.40 0.00 0.00 41.96 40.50 2cr5 s TYR 58 CO 0.00 -0.34 0.85 -1.58 -1.57 0.00 0.00 175.55 172.91 2cr5 s HIS 59 N 1.02 3.27 0.00 2.71 2.46 -1.26 -2.22 115.29 121.27 2cr5 s HIS 59 Ca -0.08 0.59 0.10 0.00 0.47 0.00 0.00 55.06 56.13 2cr5 s HIS 59 Cb -0.15 -2.63 -0.23 0.00 -0.13 0.00 0.00 32.58 29.45 2cr5 s HIS 59 CO -0.00 -0.70 0.83 1.57 -2.47 0.00 0.00 174.74 173.97 2cr5 h LYS 60 N -0.04 0.02 0.00 2.88 2.10 -1.88 -1.35 116.57 118.30 2cr5 h LYS 60 Ca -0.46 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2cr5 h LYS 60 Cb 1.25 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2cr5 h LYS 60 CO 0.60 0.68 -0.02 1.03 -2.00 0.00 0.00 179.45 179.74 2cr5 h SER 61 N 0.01 0.00 0.00 7.07 0.87 -1.95 -3.27 113.55 116.28 2cr5 h SER 61 Ca -0.21 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.04 2cr5 h SER 61 Cb 1.95 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.85 2cr5 h SER 61 CO 0.10 0.02 -2.16 0.18 -0.53 0.00 0.00 176.83 174.43 2cr5 n LEU 62 N -3.11 2.23 -4.46 2.23 4.77 -1.25 -4.71 117.00 112.71 2cr5 n LEU 62 Ca 0.02 -0.08 -0.26 0.00 -0.03 0.00 0.00 56.01 55.65 2cr5 n LEU 62 Cb 0.38 -0.44 -0.11 0.00 -2.33 0.00 0.00 43.42 40.92 2cr5 n LEU 62 CO 0.30 0.74 -0.50 -0.31 -1.33 0.00 0.00 177.39 176.29 2cr5 s TYR 63 N -2.41 2.36 0.45 -1.77 1.51 -0.51 -2.02 117.35 114.96 2cr5 s TYR 63 Ca -0.23 -0.33 0.02 0.00 -1.01 0.00 0.00 57.07 55.52 2cr5 s TYR 63 Cb 0.07 -1.14 -0.01 0.00 -0.11 0.00 0.00 41.96 40.77 2cr5 s TYR 63 CO 0.53 0.55 0.08 2.89 -1.11 0.00 0.00 175.55 178.48 2cr5 n ARG 64 N 0.03 0.69 -4.38 -0.62 1.85 0.78 -4.12 116.66 110.89 2cr5 n ARG 64 Ca -0.11 -3.50 -0.25 0.00 -1.00 0.00 0.00 57.85 52.99 2cr5 n ARG 64 Cb 0.57 1.43 -0.12 0.00 -1.05 0.00 0.00 32.46 33.29 2cr5 n ARG 64 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2cr5 s LEU 65 N 0.00 2.41 0.18 2.89 1.43 -1.26 -1.62 118.68 122.72 2cr5 s LEU 65 Ca 0.11 -0.84 -0.13 0.00 -1.03 0.00 0.00 54.13 52.24 2cr5 s LEU 65 Cb 0.01 -1.03 0.01 0.00 0.03 0.00 0.00 46.19 45.20 2cr5 s LEU 65 CO 0.08 0.07 0.39 -0.94 0.23 0.00 0.00 176.35 176.18 2cr5 s SER 66 N -2.54 -0.09 0.64 2.29 1.04 -0.70 -2.76 113.70 111.58 2cr5 s SER 66 Ca 0.17 -0.70 -0.10 0.00 0.48 0.00 0.00 55.95 55.80 2cr5 s SER 66 Cb -0.08 0.50 -0.00 0.00 0.10 0.00 0.00 66.02 66.54 2cr5 s SER 66 CO 0.08 -0.97 1.01 0.42 0.98 0.00 0.00 173.24 174.76 2cr5 s THR 67 N -3.93 3.93 0.05 2.02 -4.23 -1.18 -1.61 115.64 110.70 2cr5 s THR 67 Ca 0.14 0.44 -0.25 0.00 -1.18 0.00 0.00 61.69 60.84 2cr5 s THR 67 Cb 0.01 -3.60 -0.17 0.00 1.34 0.00 0.00 72.50 70.09 2cr5 s THR 67 CO -0.01 -0.73 1.54 -1.28 -0.54 0.00 0.00 174.62 173.60 2cr5 h SER 68 N -0.39 -0.07 -2.71 3.99 0.87 -1.91 -3.42 113.55 109.91 2cr5 h SER 68 Ca -0.45 -0.17 0.11 0.00 -1.23 0.00 0.00 61.79 60.05 2cr5 h SER 68 Cb 1.24 0.02 -0.28 0.00 -0.44 0.00 0.00 62.40 62.93 2cr5 h SER 68 CO 0.63 0.13 0.54 0.72 -0.53 0.00 0.00 176.83 178.32 2cr5 s PHE 69 N -5.43 -0.39 0.86 2.24 -0.71 -1.26 -4.61 117.98 108.67 2cr5 s PHE 69 Ca -0.14 0.88 -0.14 0.00 -1.04 0.00 0.00 56.93 56.48 2cr5 s PHE 69 Cb 0.04 0.35 0.21 0.00 -1.21 0.00 0.00 43.02 42.42 2cr5 s PHE 69 CO 0.65 -0.19 0.76 -0.35 -1.34 0.00 0.00 175.22 174.75 2cr5 n PRO 70 N 2.61 -2.51 -2.73 1.99 -0.04 -1.26 -5.05 135.00 128.00 2cr5 n PRO 70 Ca -0.14 -1.21 -0.42 0.00 -0.04 0.00 0.00 63.50 61.68 2cr5 n PRO 70 Cb 0.57 -1.14 -0.04 0.00 -0.04 0.00 0.00 33.50 32.85 2cr5 n PRO 70 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2cr5 s ARG 71 N -4.72 3.27 -0.01 0.54 3.52 -1.26 -4.59 118.95 115.69 2cr5 s ARG 71 Ca 0.49 -0.33 0.03 0.00 -0.13 0.00 0.00 55.73 55.79 2cr5 s ARG 71 Cb -0.05 -4.12 -0.01 0.00 -1.56 0.00 0.00 34.95 29.21 2cr5 s ARG 71 CO 0.38 -1.76 -0.10 0.50 -0.81 0.00 0.00 175.30 173.51 2cr5 s ARG 72 N 4.57 0.82 -0.39 5.12 3.52 -1.26 -5.02 118.95 126.30 2cr5 s ARG 72 Ca 0.31 -0.34 -0.29 0.00 -0.13 0.00 0.00 55.73 55.28 2cr5 s ARG 72 Cb -0.12 -0.79 0.02 0.00 -1.56 0.00 0.00 34.95 32.50 2cr5 s ARG 72 CO 0.17 0.19 1.25 0.00 -0.81 0.00 0.00 175.30 176.10 2cr5 s ALA 73 N -0.15 3.22 -0.02 6.12 0.00 -1.26 -3.09 121.76 126.59 2cr5 s ALA 73 Ca 0.03 -0.18 -0.19 0.00 0.00 0.00 0.00 51.96 51.61 2cr5 s ALA 73 Cb -0.05 -3.85 -0.05 0.00 0.00 0.00 0.00 23.12 19.17 2cr5 s ALA 73 CO -0.00 -2.07 0.54 -0.51 0.00 0.00 0.00 175.76 173.72 2cr5 s LEU 74 N 4.60 4.41 -0.08 0.00 1.43 -1.11 -5.04 118.68 122.88 2cr5 s LEU 74 Ca 0.53 1.07 0.03 0.00 -1.03 0.00 0.00 54.13 54.73 2cr5 s LEU 74 Cb -0.12 -2.82 -0.02 0.00 0.03 0.00 0.00 46.19 43.26 2cr5 s LEU 74 CO 0.28 0.13 -0.16 -1.61 0.23 0.00 0.00 176.35 175.22 2cr5 s GLU 75 N -0.26 2.87 -0.15 1.70 8.01 -1.26 -4.54 118.70 125.06 2cr5 s GLU 75 Ca 0.29 -0.74 -0.29 0.00 0.01 0.00 0.00 54.97 54.23 2cr5 s GLU 75 Cb -0.17 -2.43 -0.01 0.00 -4.31 0.00 0.00 34.13 27.20 2cr5 s GLU 75 CO 0.15 0.41 1.23 0.14 0.01 0.00 0.00 175.26 177.20 2cr5 s VAL 76 N -0.17 4.32 -0.66 2.63 -7.23 -1.26 -4.98 120.40 113.05 2cr5 s VAL 76 Ca -0.01 1.60 -0.21 0.00 -1.81 0.00 0.00 61.98 61.55 2cr5 s VAL 76 Cb -0.13 -4.03 0.09 0.00 0.56 0.00 0.00 36.38 32.86 2cr5 s VAL 76 CO 0.03 -0.12 0.88 -0.70 -0.31 0.00 0.00 175.10 174.88 2cr5 s GLU 77 N 3.28 3.13 -0.51 4.82 2.12 -1.26 -4.98 118.70 125.30 2cr5 s GLU 77 Ca 0.54 -1.11 -0.32 0.00 0.36 0.00 0.00 54.97 54.43 2cr5 s GLU 77 Cb -0.21 -4.30 -0.12 0.00 0.26 0.00 0.00 34.13 29.75 2cr5 s GLU 77 CO 0.15 -1.71 2.34 0.41 -0.54 0.00 0.00 175.26 175.91 2cr5 n GLY 78 N 5.31 0.22 0.00 -1.50 0.00 -1.26 -0.45 105.19 107.51 2cr5 n GLY 78 Ca -0.03 0.91 0.00 0.00 0.00 0.00 0.00 46.02 46.90 2cr5 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cr5 n GLY 79 N 6.43 2.23 3.72 -0.02 0.00 -1.26 -5.08 105.19 111.20 2cr5 n GLY 79 Ca 0.45 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 2cr5 n GLY 79 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cr5 s SER 80 N -0.28 7.16 0.81 1.61 0.15 0.40 -5.01 113.70 118.54 2cr5 s SER 80 Ca 0.00 1.98 -0.11 0.00 0.70 0.00 0.00 55.95 58.52 2cr5 s SER 80 Cb 0.00 -2.58 0.08 0.00 -1.71 0.00 0.00 66.02 61.80 2cr5 s SER 80 CO 0.00 -0.38 1.09 -0.55 1.20 0.00 0.00 173.24 174.60 2cr5 s SER 81 N 0.77 4.30 0.40 5.45 0.15 -1.26 -3.79 113.70 119.71 2cr5 s SER 81 Ca 0.55 1.47 0.13 0.00 0.70 0.00 0.00 55.95 58.81 2cr5 s SER 81 Cb -0.28 -2.20 0.96 0.00 -1.71 0.00 0.00 66.02 62.79 2cr5 s SER 81 CO 0.30 -2.11 1.89 -0.07 1.20 0.00 0.00 173.24 174.45 2cr5 h LEU 82 N -1.19 0.50 -0.40 3.45 3.38 -1.25 0.27 115.31 120.09 2cr5 h LEU 82 Ca -0.47 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.44 2cr5 h LEU 82 Cb 1.26 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2cr5 h LEU 82 CO 0.56 0.24 -0.46 -0.08 0.09 0.00 0.00 178.44 178.80 2cr5 h GLU 83 N 0.52 0.00 0.03 1.13 4.81 -1.68 0.66 114.58 120.05 2cr5 h GLU 83 Ca 0.42 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.39 2cr5 h GLU 83 Cb 0.86 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.27 2cr5 h GLU 83 CO -0.17 0.46 -1.03 -0.44 -0.73 0.00 0.00 179.01 177.10 2cr5 h ASP 84 N 0.00 0.86 0.55 1.04 5.19 -0.86 -3.25 116.42 119.95 2cr5 h ASP 84 Ca -0.00 -0.76 -0.11 0.00 -0.62 0.00 0.00 57.03 55.53 2cr5 h ASP 84 Cb 1.19 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 40.42 2cr5 h ASP 84 CO 0.06 1.52 -0.51 0.16 -3.12 0.00 0.00 179.24 177.34 2cr5 h ILE 85 N 0.30 1.33 0.00 0.35 3.07 -1.10 -3.47 117.51 118.00 2cr5 h ILE 85 Ca -0.14 -1.78 0.00 0.00 1.55 0.00 0.00 64.86 64.49 2cr5 h ILE 85 Cb 1.70 1.97 0.00 0.00 -0.27 0.00 0.00 36.82 40.22 2cr5 h ILE 85 CO 0.20 0.50 0.00 0.61 -1.05 0.00 0.00 178.15 178.42 2cr5 n GLY 86 N 0.00 0.60 2.34 0.16 0.00 -1.05 -5.10 105.19 102.15 2cr5 n GLY 86 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 2cr5 n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cr5 n ILE 87 N 0.00 0.64 1.05 -0.61 2.08 0.23 -4.86 119.36 117.90 2cr5 n ILE 87 Ca 0.00 -4.63 0.12 0.00 0.56 0.00 0.00 62.75 58.80 2cr5 n ILE 87 Cb 0.00 -1.58 0.08 0.00 -0.75 0.00 0.00 39.64 37.39 2cr5 n ILE 87 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2cr5 n THR 88 N 0.84 0.00 -4.02 1.39 -2.24 -1.26 -3.95 114.28 105.04 2cr5 n THR 88 Ca 0.25 -0.25 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 2cr5 n THR 88 Cb 0.51 1.11 -0.09 0.00 -2.10 0.00 0.00 70.33 69.76 2cr5 n THR 88 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2cr5 s VAL 89 N -2.44 0.15 -0.25 2.28 -7.23 -1.26 -4.97 120.40 106.69 2cr5 s VAL 89 Ca 0.21 -1.59 -0.43 0.00 -1.81 0.00 0.00 61.98 58.36 2cr5 s VAL 89 Cb 0.18 -1.61 -0.19 0.00 0.56 0.00 0.00 36.38 35.32 2cr5 s VAL 89 CO 0.54 -0.70 1.43 0.47 -0.31 0.00 0.00 175.10 176.52 2cr5 n ASP 90 N -0.02 1.04 -4.06 4.85 8.00 -1.26 -4.75 116.55 120.35 2cr5 n ASP 90 Ca -0.12 1.16 -0.15 0.00 0.71 0.00 0.00 54.79 56.39 2cr5 n ASP 90 Cb 0.62 -0.96 -0.12 0.00 -0.02 0.00 0.00 41.12 40.63 2cr5 n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2cr5 s THR 91 N 1.86 0.66 -0.23 -3.53 2.01 -0.66 -4.91 115.64 110.84 2cr5 s THR 91 Ca 0.97 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 62.01 2cr5 s THR 91 Cb -1.31 -0.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.54 2cr5 s THR 91 CO 0.68 -0.21 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.69 2cr5 s VAL 92 N -1.04 3.46 0.20 3.82 1.01 -1.26 -2.89 120.40 123.70 2cr5 s VAL 92 Ca -0.05 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.42 2cr5 s VAL 92 Cb -0.08 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2cr5 s VAL 92 CO 0.01 0.36 0.35 -0.76 0.00 0.00 0.00 175.10 175.06 2cr5 s LEU 93 N 1.48 4.28 -0.02 3.92 1.43 0.10 -2.95 118.68 126.92 2cr5 s LEU 93 Ca 0.05 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 2cr5 s LEU 93 Cb -0.15 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.08 2cr5 s LEU 93 CO -0.02 -0.02 -0.08 0.20 0.23 0.00 0.00 176.35 176.65 2cr5 s ASN 94 N -3.43 1.12 -0.09 2.29 0.01 -0.63 -1.48 114.94 112.73 2cr5 s ASN 94 Ca 0.36 -0.17 -0.17 0.00 -0.71 0.00 0.00 52.86 52.17 2cr5 s ASN 94 Cb -0.10 -0.27 -0.05 0.00 0.41 0.00 0.00 41.25 41.24 2cr5 s ASN 94 CO 0.29 0.07 0.44 -0.69 -1.51 0.00 0.00 177.10 175.70 2cr5 s VAL 95 N 0.14 5.15 0.16 1.60 1.01 -0.75 -1.72 120.40 125.99 2cr5 s VAL 95 Ca -0.02 0.89 0.01 0.00 0.00 0.00 0.00 61.98 62.87 2cr5 s VAL 95 Cb -0.07 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2cr5 s VAL 95 CO 0.00 0.40 0.00 -1.61 0.00 0.00 0.00 175.10 173.89 2cr5 s GLU 96 N 0.17 1.05 -0.18 2.72 0.41 -0.64 -4.47 118.70 117.77 2cr5 s GLU 96 Ca 0.24 -1.50 -0.14 0.00 -0.41 0.00 0.00 54.97 53.16 2cr5 s GLU 96 Cb -0.15 -0.18 -0.04 0.00 -1.78 0.00 0.00 34.13 31.97 2cr5 s GLU 96 CO 0.11 -0.14 0.32 -1.21 -0.49 0.00 0.00 175.26 173.85 2cr5 s GLU 97 N -3.93 4.22 0.16 1.61 2.02 -1.26 -0.16 118.70 121.37 2cr5 s GLU 97 Ca 0.23 0.11 -0.30 0.00 0.02 0.00 0.00 54.97 55.02 2cr5 s GLU 97 Cb 0.06 -3.47 -0.08 0.00 0.10 0.00 0.00 34.13 30.74 2cr5 s GLU 97 CO 0.03 0.14 1.32 0.15 0.02 0.00 0.00 175.26 176.92 2cr5 s LYS 98 N 0.78 4.37 0.25 1.61 1.02 -0.86 -4.91 119.74 122.00 2cr5 s LYS 98 Ca 0.17 2.04 -0.05 0.00 0.02 0.00 0.00 55.97 58.14 2cr5 s LYS 98 Cb -0.14 -3.22 0.48 0.00 -0.52 0.00 0.00 37.83 34.43 2cr5 s LYS 98 CO 0.05 -0.30 1.65 1.49 -0.92 0.00 0.00 175.35 177.32 2cr5 h GLU 99 N 5.88 0.15 -1.24 1.68 4.81 -1.97 -3.41 114.58 120.48 2cr5 h GLU 99 Ca -0.44 -0.01 0.15 0.00 -0.13 0.00 0.00 59.36 58.93 2cr5 h GLU 99 Cb 1.21 -0.03 -0.23 0.00 0.63 0.00 0.00 28.75 30.33 2cr5 h GLU 99 CO 0.80 0.10 0.10 -1.14 -0.73 0.00 0.00 179.01 178.14 2cr5 s GLN 100 N -6.07 0.38 -0.25 1.92 -0.44 -1.26 -5.16 119.66 108.77 2cr5 s GLN 100 Ca -0.13 0.92 -0.19 0.00 -2.50 0.00 0.00 55.36 53.47 2cr5 s GLN 100 Cb 0.22 0.55 0.07 0.00 -1.64 0.00 0.00 33.01 32.22 2cr5 s GLN 100 CO 0.76 -0.16 0.64 0.45 0.50 0.00 0.00 175.29 177.47 2cr5 s SER 101 N 2.62 -0.76 0.28 6.67 0.15 -1.26 -5.17 113.70 116.24 2cr5 s SER 101 Ca -0.02 1.34 -0.01 0.00 0.70 0.00 0.00 55.95 57.96 2cr5 s SER 101 Cb -0.08 1.29 -0.04 0.00 -1.71 0.00 0.00 66.02 65.48 2cr5 s SER 101 CO -0.18 -0.23 0.49 -0.55 1.20 0.00 0.00 173.24 173.98 2cr5 s SER 102 N 0.92 6.36 -0.02 5.45 0.15 -1.26 -4.87 113.70 120.43 2cr5 s SER 102 Ca -0.05 0.48 -0.17 0.00 0.70 0.00 0.00 55.95 56.91 2cr5 s SER 102 Cb -0.05 -2.04 -0.10 0.00 -1.71 0.00 0.00 66.02 62.12 2cr5 s SER 102 CO -0.08 -0.18 0.76 -0.61 1.20 0.00 0.00 173.24 174.32 2cr5 h GLN 103 N 1.37 -0.60 -6.93 5.44 4.15 -2.03 -3.45 115.11 113.06 2cr5 h GLN 103 Ca -0.49 0.04 -0.49 0.00 0.77 0.00 0.00 58.65 58.48 2cr5 h GLN 103 Cb 1.20 0.14 0.01 0.00 0.21 0.00 0.00 27.48 29.04 2cr5 h GLN 103 CO 0.64 -0.40 0.18 0.45 -1.93 0.00 0.00 178.83 177.77 2cr5 s SER 104 N -4.58 6.54 0.00 -0.69 0.15 -1.26 -5.02 113.70 108.83 2cr5 s SER 104 Ca -0.09 1.24 0.00 0.00 0.70 0.00 0.00 55.95 57.80 2cr5 s SER 104 Cb 0.01 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 2cr5 s SER 104 CO 0.27 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2cr5 n GLY 105 N -1.39 0.69 3.77 9.45 0.00 -1.26 -5.13 105.19 111.32 2cr5 n GLY 105 Ca 0.03 0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2cr5 n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr5 s PRO 106 N 0.44 3.65 -0.49 1.61 0.04 -1.26 -5.02 135.00 133.96 2cr5 s PRO 106 Ca 0.00 1.73 0.06 0.00 0.04 0.00 0.00 61.00 62.83 2cr5 s PRO 106 Cb 0.00 -2.29 0.21 0.00 0.04 0.00 0.00 34.50 32.46 2cr5 s PRO 106 CO 0.00 -0.63 0.50 0.45 0.04 0.00 0.00 177.00 177.36 2cr5 n SER 107 N -0.71 1.06 -4.30 6.66 2.88 -1.26 -5.10 113.62 112.84 2cr5 n SER 107 Ca 0.08 -2.81 -0.26 0.00 -1.33 0.00 0.00 58.87 54.55 2cr5 n SER 107 Cb 0.49 -0.64 -0.14 0.00 -0.75 0.00 0.00 64.21 63.18 2cr5 n SER 107 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cr5 s SER 108 N -1.07 2.76 0.00 -3.46 1.04 -1.26 -5.36 113.70 106.35 2cr5 s SER 108 Ca 0.34 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.15 2cr5 s SER 108 Cb 0.09 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.01 2cr5 s SER 108 CO -0.13 0.15 0.18 0.61 0.98 0.00 0.00 173.24 175.03