#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 3.05 0.62 1.61 0.15 -1.26 -5.11 113.70 112.76 2cr5 s SER 2 Ca 0.00 -0.70 -0.18 0.00 0.70 0.00 0.00 55.95 55.77 2cr5 s SER 2 Cb 0.00 -1.18 -0.07 0.00 -1.71 0.00 0.00 66.02 63.06 2cr5 s SER 2 CO 0.00 -0.11 0.61 -0.24 1.20 0.00 0.00 173.24 174.69 2cr5 n SER 3 N 4.74 -0.75 -3.12 5.45 2.88 -1.26 -4.96 113.62 116.60 2cr5 n SER 3 Ca -0.15 0.71 -0.17 0.00 -1.33 0.00 0.00 58.87 57.92 2cr5 n SER 3 Cb 0.48 -1.23 0.16 0.00 -0.75 0.00 0.00 64.21 62.88 2cr5 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr5 n GLY 4 N 1.66 -3.80 3.71 0.46 0.00 -1.26 -4.92 105.19 101.03 2cr5 n GLY 4 Ca 0.12 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 2cr5 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr5 s SER 5 N -2.65 7.14 0.09 1.61 1.04 -1.26 -4.96 113.70 114.72 2cr5 s SER 5 Ca 0.38 1.87 -0.33 0.00 0.48 0.00 0.00 55.95 58.35 2cr5 s SER 5 Cb -0.06 -2.57 -0.13 0.00 0.10 0.00 0.00 66.02 63.36 2cr5 s SER 5 CO 0.32 -0.45 1.72 -0.24 0.98 0.00 0.00 173.24 175.56 2cr5 n SER 6 N 4.26 3.43 -2.36 7.02 2.88 -1.26 -4.84 113.62 122.75 2cr5 n SER 6 Ca 0.09 1.03 -0.02 0.00 -1.33 0.00 0.00 58.87 58.64 2cr5 n SER 6 Cb 0.47 -1.45 0.09 0.00 -0.75 0.00 0.00 64.21 62.58 2cr5 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr5 n GLY 7 N 3.86 1.16 0.11 0.46 0.00 -1.26 -4.95 105.19 104.59 2cr5 n GLY 7 Ca 0.19 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 46.11 2cr5 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cr5 n GLU 8 N -1.09 2.09 -4.50 1.61 4.71 -1.26 -5.00 120.64 117.20 2cr5 n GLU 8 Ca -0.13 -0.47 -0.21 0.00 -0.01 0.00 0.00 57.16 56.34 2cr5 n GLU 8 Cb 0.77 -0.93 -0.15 0.00 -1.01 0.00 0.00 31.44 30.12 2cr5 n GLU 8 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2cr5 s VAL 9 N -0.81 0.92 0.83 2.62 1.01 -1.26 -5.15 120.40 118.57 2cr5 s VAL 9 Ca 0.04 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 2cr5 s VAL 9 Cb 0.04 -0.80 0.09 0.00 0.00 0.00 0.00 36.38 35.71 2cr5 s VAL 9 CO 0.11 0.28 1.09 -2.16 0.00 0.00 0.00 175.10 174.41 2cr5 s PRO 10 N 0.03 1.78 0.04 2.72 0.04 -1.26 -5.07 135.00 133.28 2cr5 s PRO 10 Ca -0.01 1.01 0.05 0.00 0.04 0.00 0.00 61.00 62.09 2cr5 s PRO 10 Cb -0.08 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 2cr5 s PRO 10 CO 0.00 -1.93 -0.15 -0.51 0.04 0.00 0.00 177.00 174.45 2cr5 s ASP 11 N -3.40 1.80 0.46 6.66 1.01 -1.26 -5.11 116.67 116.83 2cr5 s ASP 11 Ca 0.62 -0.49 -0.21 0.00 0.71 0.00 0.00 52.55 53.19 2cr5 s ASP 11 Cb -0.18 -0.11 -0.09 0.00 1.01 0.00 0.00 42.92 43.54 2cr5 s ASP 11 CO 0.56 0.04 1.00 -0.76 0.21 0.00 0.00 175.17 176.23 2cr5 s LEU 12 N -1.22 3.89 0.50 1.23 1.43 -1.26 -5.03 118.68 118.23 2cr5 s LEU 12 Ca 0.02 1.84 -0.21 0.00 -1.03 0.00 0.00 54.13 54.75 2cr5 s LEU 12 Cb -0.08 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.53 2cr5 s LEU 12 CO 0.01 -0.61 1.15 -2.16 0.23 0.00 0.00 176.35 174.98 2cr5 s PRO 13 N -3.19 3.57 -0.11 1.29 0.04 -1.26 -4.91 135.00 130.43 2cr5 s PRO 13 Ca 0.65 1.70 -0.38 0.00 0.04 0.00 0.00 61.00 63.01 2cr5 s PRO 13 Cb -0.14 -2.22 -0.16 0.00 0.04 0.00 0.00 34.50 32.03 2cr5 s PRO 13 CO 0.17 -0.69 1.58 -0.85 0.04 0.00 0.00 177.00 177.25 2cr5 n GLU 14 N -0.87 1.21 -1.74 4.56 0.28 -1.26 -4.86 120.64 117.97 2cr5 n GLU 14 Ca 0.09 0.44 -0.41 0.00 -0.16 0.00 0.00 57.16 57.13 2cr5 n GLU 14 Cb 0.49 -2.12 0.01 0.00 1.43 0.00 0.00 31.44 31.26 2cr5 n GLU 14 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2cr5 n GLU 15 N 4.23 2.20 -1.68 3.44 4.71 -1.26 -4.97 120.64 127.32 2cr5 n GLU 15 Ca 0.23 0.78 -0.33 0.00 -0.01 0.00 0.00 57.16 57.83 2cr5 n GLU 15 Cb 0.16 -2.52 0.05 0.00 -1.01 0.00 0.00 31.44 28.12 2cr5 n GLU 15 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2cr5 s PRO 16 N -2.25 2.71 0.30 3.49 0.04 -1.26 -5.02 135.00 133.01 2cr5 s PRO 16 Ca 0.59 1.35 -0.20 0.00 0.04 0.00 0.00 61.00 62.79 2cr5 s PRO 16 Cb -0.48 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.02 2cr5 s PRO 16 CO 0.59 -1.31 0.81 -1.54 0.04 0.00 0.00 177.00 175.59 2cr5 s SER 17 N -2.71 7.03 0.46 6.66 1.04 -1.26 -4.89 113.70 120.02 2cr5 s SER 17 Ca 0.66 1.52 0.26 0.00 0.48 0.00 0.00 55.95 58.87 2cr5 s SER 17 Cb -0.20 -2.46 1.29 0.00 0.10 0.00 0.00 66.02 64.75 2cr5 s SER 17 CO 0.44 -0.11 1.78 1.05 0.98 0.00 0.00 173.24 177.38 2cr5 h GLU 18 N 2.83 0.22 0.00 4.02 4.11 -2.01 1.01 114.58 124.76 2cr5 h GLU 18 Ca -0.48 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 58.88 2cr5 h GLU 18 Cb 1.19 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2cr5 h GLU 18 CO 0.65 0.15 -0.29 1.79 0.07 0.00 0.00 179.01 181.37 2cr5 h THR 19 N 0.23 0.48 -1.63 -1.06 1.35 -2.01 -3.46 112.91 106.80 2cr5 h THR 19 Ca 0.58 -1.68 -0.69 0.00 -0.55 0.00 0.00 66.41 64.07 2cr5 h THR 19 Cb 1.82 2.24 0.07 0.00 -1.73 0.00 0.00 68.15 70.54 2cr5 h THR 19 CO -0.19 0.28 0.25 0.00 -0.25 0.00 0.00 175.52 175.61 2cr5 n ALA 20 N -2.17 -1.47 -1.94 6.62 0.00 0.35 -4.93 120.51 116.97 2cr5 n ALA 20 Ca 0.03 0.50 -0.32 0.00 0.00 0.00 0.00 53.44 53.65 2cr5 n ALA 20 Cb 0.65 -1.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.08 2cr5 n ALA 20 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2cr5 s GLU 21 N -0.05 3.95 -1.22 0.00 -1.05 -1.26 -4.03 118.70 115.04 2cr5 s GLU 21 Ca 0.80 0.85 -0.06 0.00 -0.15 0.00 0.00 54.97 56.41 2cr5 s GLU 21 Cb -0.96 -2.22 0.01 0.00 -0.44 0.00 0.00 34.13 30.51 2cr5 s GLU 21 CO 0.51 -0.16 1.05 0.39 0.95 0.00 0.00 175.26 178.01 2cr5 n GLU 22 N -1.31 -7.07 -4.54 -4.83 -0.58 -1.26 -4.88 120.64 96.16 2cr5 n GLU 22 Ca 0.05 0.79 -0.22 0.00 -0.42 0.00 0.00 57.16 57.36 2cr5 n GLU 22 Cb 0.54 -5.68 -0.15 0.00 -0.57 0.00 0.00 31.44 25.58 2cr5 n GLU 22 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2cr5 s VAL 23 N -3.31 0.99 0.43 2.62 1.01 -1.26 0.21 120.40 121.08 2cr5 s VAL 23 Ca 0.36 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 61.91 2cr5 s VAL 23 Cb -0.16 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 2cr5 s VAL 23 CO 0.69 0.29 0.11 0.68 0.00 0.00 0.00 175.10 176.86 2cr5 s VAL 24 N -0.01 2.03 -0.42 2.92 -7.23 -0.41 -4.92 120.40 112.36 2cr5 s VAL 24 Ca -0.00 -1.84 -0.05 0.00 -1.81 0.00 0.00 61.98 58.28 2cr5 s VAL 24 Cb -0.08 -2.86 0.11 0.00 0.56 0.00 0.00 36.38 34.11 2cr5 s VAL 24 CO 0.00 0.00 0.23 -0.89 -0.31 0.00 0.00 175.10 174.13 2cr5 s THR 25 N -2.68 3.52 -0.03 5.32 2.01 -1.26 -0.99 115.64 121.53 2cr5 s THR 25 Ca 0.34 -1.93 -0.13 0.00 0.31 0.00 0.00 61.69 60.29 2cr5 s THR 25 Cb 0.06 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 2cr5 s THR 25 CO 0.19 -0.67 0.34 -0.69 -0.69 0.00 0.00 174.62 173.09 2cr5 s VAL 26 N 1.21 5.16 -0.15 3.82 1.01 0.10 -3.56 120.40 127.99 2cr5 s VAL 26 Ca 0.07 0.67 -0.00 0.00 0.00 0.00 0.00 61.98 62.72 2cr5 s VAL 26 Cb -0.23 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.55 2cr5 s VAL 26 CO -0.03 0.59 -0.06 0.00 0.00 0.00 0.00 175.10 175.59 2cr5 s ALA 27 N -1.05 1.45 -0.20 5.51 0.00 -1.24 -0.73 121.76 125.50 2cr5 s ALA 27 Ca 0.21 -0.74 -0.22 0.00 0.00 0.00 0.00 51.96 51.22 2cr5 s ALA 27 Cb -0.15 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 2cr5 s ALA 27 CO 0.11 -0.64 0.69 -0.51 0.00 0.00 0.00 175.76 175.41 2cr5 s LEU 28 N 1.65 4.14 -0.27 0.00 1.43 -0.16 -1.17 118.68 124.30 2cr5 s LEU 28 Ca 0.02 0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 53.94 2cr5 s LEU 28 Cb -0.14 -2.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.04 2cr5 s LEU 28 CO -0.08 -0.33 0.18 -0.13 0.23 0.00 0.00 176.35 176.22 2cr5 s ARG 29 N 2.07 3.97 0.33 1.70 0.52 -0.37 -1.77 118.95 125.40 2cr5 s ARG 29 Ca 0.31 -0.31 -0.11 0.00 -0.52 0.00 0.00 55.73 55.10 2cr5 s ARG 29 Cb -0.16 -3.61 -0.07 0.00 0.52 0.00 0.00 34.95 31.62 2cr5 s ARG 29 CO 0.11 -0.12 0.69 0.00 0.02 0.00 0.00 175.30 175.99 2cr5 n PRO 31 N -0.73 0.32 0.10 0.00 -0.04 -1.26 -2.15 135.00 131.24 2cr5 n PRO 31 Ca 0.02 0.09 0.08 0.00 -0.04 0.00 0.00 63.50 63.65 2cr5 n PRO 31 Cb 0.53 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.73 -1.94 -3.48 115.58 112.97 2cr5 h ASN 32 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2cr5 h ASN 32 Cb 0.09 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.68 2cr5 h ASN 32 CO 0.00 0.16 0.00 0.61 -0.37 0.00 0.00 177.43 177.83 2cr5 n GLY 33 N 1.23 0.82 3.82 1.57 0.00 -0.91 -5.11 105.19 106.60 2cr5 n GLY 33 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 3.78 -0.06 1.61 0.52 -1.26 -4.84 118.95 118.70 2cr5 s ARG 34 Ca 0.00 1.12 -0.03 0.00 -0.52 0.00 0.00 55.73 56.31 2cr5 s ARG 34 Cb 0.00 -2.11 0.04 0.00 0.52 0.00 0.00 34.95 33.40 2cr5 s ARG 34 CO 0.00 -0.42 0.13 0.54 0.02 0.00 0.00 175.30 175.57 2cr5 s VAL 35 N -2.40 -0.05 -0.10 3.52 0.11 -1.26 -1.26 120.40 118.95 2cr5 s VAL 35 Ca 0.62 0.19 -0.03 0.00 -2.93 0.00 0.00 61.98 59.83 2cr5 s VAL 35 Cb -0.13 -0.23 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 2cr5 s VAL 35 CO 0.28 0.08 0.02 -0.76 -3.33 0.00 0.00 175.10 171.39 2cr5 s LEU 36 N 1.19 3.69 0.12 2.54 1.43 -0.73 -4.96 118.68 121.95 2cr5 s LEU 36 Ca -0.09 0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.24 2cr5 s LEU 36 Cb -0.12 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 2cr5 s LEU 36 CO -0.06 0.36 0.03 -0.13 0.23 0.00 0.00 176.35 176.78 2cr5 s ARG 37 N -0.78 2.60 -0.01 1.70 0.52 -1.26 -0.99 118.95 120.72 2cr5 s ARG 37 Ca 0.12 -0.88 -0.29 0.00 -0.52 0.00 0.00 55.73 54.16 2cr5 s ARG 37 Cb -0.12 -2.54 0.10 0.00 0.52 0.00 0.00 34.95 32.92 2cr5 s ARG 37 CO 0.02 0.52 0.93 0.50 0.02 0.00 0.00 175.30 177.29 2cr5 s ARG 38 N -2.55 0.78 0.18 3.54 3.52 0.09 -4.99 118.95 119.53 2cr5 s ARG 38 Ca 0.27 -0.30 0.01 0.00 -0.13 0.00 0.00 55.73 55.58 2cr5 s ARG 38 Cb -0.11 0.35 -0.04 0.00 -1.56 0.00 0.00 34.95 33.59 2cr5 s ARG 38 CO 0.19 -0.34 0.34 1.03 -0.81 0.00 0.00 175.30 175.71 2cr5 s ARG 39 N -3.05 3.47 -0.24 5.12 0.52 -1.26 0.03 118.95 123.53 2cr5 s ARG 39 Ca 0.06 -0.50 -0.12 0.00 -0.52 0.00 0.00 55.73 54.65 2cr5 s ARG 39 Cb -0.01 -2.90 0.09 0.00 0.52 0.00 0.00 34.95 32.65 2cr5 s ARG 39 CO -0.08 0.45 0.57 -0.06 0.02 0.00 0.00 175.30 176.21 2cr5 s PHE 40 N -1.83 -0.97 1.04 -0.53 0.08 -0.16 -4.63 117.98 110.98 2cr5 s PHE 40 Ca 0.36 1.88 -0.14 0.00 0.12 0.00 0.00 56.93 59.15 2cr5 s PHE 40 Cb -0.11 0.53 0.12 0.00 -0.57 0.00 0.00 43.02 43.00 2cr5 s PHE 40 CO 0.29 -0.51 0.52 1.19 -0.10 0.00 0.00 175.22 176.61 2cr5 n PHE 41 N 4.72 -1.02 1.21 0.36 3.72 -1.26 -1.29 117.46 123.89 2cr5 n PHE 41 Ca -0.17 0.16 0.13 0.00 -0.05 0.00 0.00 57.45 57.51 2cr5 n PHE 41 Cb 0.54 -1.74 0.34 0.00 -0.94 0.00 0.00 39.48 37.69 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 -2.85 0.80 0.02 -1.08 5.02 0.13 -3.86 118.16 116.34 2cr5 n LYS 42 Ca 0.05 -0.49 -0.03 0.00 -2.02 0.00 0.00 58.31 55.83 2cr5 n LYS 42 Cb 0.56 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.98 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 1.19 0.00 -4.09 4.39 0.87 -1.91 -3.17 113.55 110.83 2cr5 h SER 43 Ca 0.00 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.01 2cr5 h SER 43 Cb 0.52 0.00 0.14 0.00 -0.44 0.00 0.00 62.40 62.62 2cr5 h SER 43 CO 0.00 0.72 0.52 0.26 -0.53 0.00 0.00 176.83 177.80 2cr5 s TRP 44 N -2.81 2.25 -0.03 2.24 0.51 -1.25 -4.66 118.94 115.18 2cr5 s TRP 44 Ca -0.03 1.47 -0.13 0.00 -2.12 0.00 0.00 56.10 55.29 2cr5 s TRP 44 Cb 0.08 -3.64 -0.05 0.00 -0.81 0.00 0.00 33.47 29.05 2cr5 s TRP 44 CO 0.81 -2.65 0.35 1.21 -0.51 0.00 0.00 176.95 176.16 2cr5 s ASN 45 N -1.36 6.70 0.32 2.95 3.84 -1.26 -1.04 114.94 125.09 2cr5 s ASN 45 Ca 0.78 0.84 0.25 0.00 0.21 0.00 0.00 52.86 54.94 2cr5 s ASN 45 Cb -0.36 -2.21 1.05 0.00 -0.55 0.00 0.00 41.25 39.19 2cr5 s ASN 45 CO 0.39 0.33 1.06 -1.54 -2.79 0.00 0.00 177.10 174.56 2cr5 n SER 46 N 1.94 0.11 -0.26 -4.21 3.41 -1.26 -0.15 113.62 113.20 2cr5 n SER 46 Ca -0.15 0.89 -0.12 0.00 -0.26 0.00 0.00 58.87 59.23 2cr5 n SER 46 Cb 0.53 -0.44 -0.09 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.18 -1.16 4.33 5.75 -1.88 0.42 115.11 122.39 2cr5 h GLN 47 Ca 0.61 0.01 0.40 0.00 -0.15 0.00 0.00 58.65 59.52 2cr5 h GLN 47 Cb 2.08 0.04 -0.12 0.00 1.07 0.00 0.00 27.48 30.55 2cr5 h GLN 47 CO -0.25 -0.12 0.74 1.55 -2.65 0.00 0.00 178.83 178.10 2cr5 n VAL 48 N -5.19 -0.21 0.08 2.39 3.14 0.79 0.83 118.33 120.16 2cr5 n VAL 48 Ca -0.01 1.52 -0.12 0.00 -2.96 0.00 0.00 64.34 62.77 2cr5 n VAL 48 Cb 0.29 -2.49 -0.05 0.00 -1.06 0.00 0.00 33.84 30.53 2cr5 n VAL 48 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2cr5 h LEU 49 N 0.00 -0.71 -0.85 6.55 3.38 -0.31 -2.25 115.31 121.13 2cr5 h LEU 49 Ca 0.74 0.09 0.20 0.00 0.09 0.00 0.00 57.88 59.00 2cr5 h LEU 49 Cb 2.38 0.28 -0.15 0.00 0.09 0.00 0.00 40.66 43.26 2cr5 h LEU 49 CO -0.39 -0.32 -0.05 -0.07 0.09 0.00 0.00 178.44 177.70 2cr5 h LEU 50 N -0.40 -0.50 -0.35 1.67 3.38 0.37 0.26 115.31 119.75 2cr5 h LEU 50 Ca 0.05 0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.30 2cr5 h LEU 50 Cb 0.46 0.43 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 2cr5 h LEU 50 CO -0.19 -0.25 0.12 -0.78 0.09 0.00 0.00 178.44 177.43 2cr5 h ASP 51 N 0.05 0.12 -0.94 -0.43 3.58 -1.45 -1.93 116.42 115.43 2cr5 h ASP 51 Ca 0.46 0.04 0.08 0.00 0.42 0.00 0.00 57.03 58.03 2cr5 h ASP 51 Cb 0.83 0.03 -0.07 0.00 1.72 0.00 0.00 39.33 41.84 2cr5 h ASP 51 CO -0.79 0.11 0.59 -0.25 -2.88 0.00 0.00 179.24 176.01 2cr5 h TRP 52 N 0.26 1.08 -0.15 0.28 7.01 -0.17 -2.19 115.95 122.07 2cr5 h TRP 52 Ca 0.16 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.20 2cr5 h TRP 52 Cb 0.14 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 26.84 2cr5 h TRP 52 CO -0.15 0.51 0.09 1.98 -2.79 0.00 0.00 178.44 178.08 2cr5 h MET 53 N 1.02 0.18 0.00 2.65 4.05 -0.51 -0.91 114.93 121.42 2cr5 h MET 53 Ca 0.43 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.84 2cr5 h MET 53 Cb 0.27 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 2cr5 h MET 53 CO -0.20 0.12 0.01 0.52 0.23 0.00 0.00 176.91 177.58 2cr5 h MET 54 N 0.18 0.00 0.02 0.39 2.86 -0.71 -2.01 114.93 115.66 2cr5 h MET 54 Ca 0.06 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 2cr5 h MET 54 Cb -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 2cr5 h MET 54 CO -0.03 0.00 -0.27 -0.22 1.06 0.00 0.00 176.91 177.45 2cr5 h LYS 55 N 0.00 0.05 -0.06 1.72 1.63 -0.86 -3.32 116.57 115.74 2cr5 h LYS 55 Ca 0.00 -0.08 0.02 0.00 -0.85 0.00 0.00 60.65 59.74 2cr5 h LYS 55 Cb 0.01 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.67 2cr5 h LYS 55 CO 0.00 1.04 0.04 -0.39 -3.45 0.00 0.00 179.45 176.69 2cr5 h VAL 56 N -0.90 0.91 0.00 2.00 -1.51 -1.04 -3.45 116.25 112.27 2cr5 h VAL 56 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 2cr5 h VAL 56 Cb 1.14 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 2cr5 h VAL 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 2cr5 n GLY 57 N -1.53 1.57 3.08 5.19 0.00 -1.05 -5.14 105.19 107.32 2cr5 n GLY 57 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.57 1.16 0.33 1.61 2.02 -0.84 -5.02 117.35 115.03 2cr5 s TYR 58 Ca 0.00 -0.24 -0.03 0.00 -0.37 0.00 0.00 57.07 56.44 2cr5 s TYR 58 Cb 0.00 -0.76 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 2cr5 s TYR 58 CO 0.00 -0.04 0.57 -1.58 -1.57 0.00 0.00 175.55 172.93 2cr5 s HIS 59 N -0.21 3.50 0.03 2.71 2.46 -1.26 -1.75 115.29 120.76 2cr5 s HIS 59 Ca 0.03 0.53 -0.18 0.00 0.47 0.00 0.00 55.06 55.92 2cr5 s HIS 59 Cb -0.06 -2.03 -0.24 0.00 -0.13 0.00 0.00 32.58 30.12 2cr5 s HIS 59 CO -0.00 0.12 1.12 1.57 -2.47 0.00 0.00 174.74 175.07 2cr5 h LYS 60 N 1.20 0.52 0.00 2.88 2.10 -1.88 -2.35 116.57 119.04 2cr5 h LYS 60 Ca -0.48 -0.58 0.00 0.00 -2.00 0.00 0.00 60.65 57.58 2cr5 h LYS 60 Cb 1.20 0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 2cr5 h LYS 60 CO 0.64 1.21 0.00 1.03 -2.00 0.00 0.00 179.45 180.33 2cr5 h SER 61 N 0.08 0.00 0.00 7.07 0.87 -2.01 -3.14 113.55 116.42 2cr5 h SER 61 Ca -0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2cr5 h SER 61 Cb 1.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 2cr5 h SER 61 CO 0.16 0.00 -0.43 0.18 -0.53 0.00 0.00 176.83 176.21 2cr5 n LEU 62 N -2.88 1.40 -4.68 2.23 4.32 -1.19 -4.80 117.00 111.40 2cr5 n LEU 62 Ca -0.02 0.52 -0.26 0.00 -0.02 0.00 0.00 56.01 56.23 2cr5 n LEU 62 Cb 0.09 -0.78 -0.07 0.00 -1.62 0.00 0.00 43.42 41.04 2cr5 n LEU 62 CO 0.18 -0.47 -0.31 -0.31 -1.22 0.00 0.00 177.39 175.26 2cr5 s TYR 63 N -2.01 2.86 0.28 -1.77 2.02 -0.89 -0.06 117.35 117.78 2cr5 s TYR 63 Ca -0.12 -0.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.45 2cr5 s TYR 63 Cb 0.02 -1.36 0.01 0.00 -0.40 0.00 0.00 41.96 40.23 2cr5 s TYR 63 CO 0.18 0.53 0.08 2.89 -1.57 0.00 0.00 175.55 177.67 2cr5 n ARG 64 N -0.31 1.23 -4.67 -0.62 1.85 -0.45 -4.33 116.66 109.36 2cr5 n ARG 64 Ca -0.09 -1.95 -0.33 0.00 -1.00 0.00 0.00 57.85 54.48 2cr5 n ARG 64 Cb 0.56 0.41 -0.12 0.00 -1.05 0.00 0.00 32.46 32.26 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 2.99 0.25 2.89 1.43 -1.26 -3.07 118.68 121.91 2cr5 s LEU 65 Ca 0.06 -0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 2cr5 s LEU 65 Cb -0.00 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 2cr5 s LEU 65 CO 0.04 0.33 0.25 -0.44 0.23 0.00 0.00 176.35 176.76 2cr5 s SER 66 N -0.99 0.55 0.36 2.29 0.01 -0.77 -2.37 113.70 112.78 2cr5 s SER 66 Ca 0.13 -1.42 0.07 0.00 1.31 0.00 0.00 55.95 56.04 2cr5 s SER 66 Cb -0.11 0.48 -0.02 0.00 0.21 0.00 0.00 66.02 66.59 2cr5 s SER 66 CO 0.03 -0.98 0.39 0.42 0.41 0.00 0.00 173.24 173.51 2cr5 s THR 67 N -3.85 3.52 0.50 1.44 -4.23 -0.84 -1.66 115.64 110.52 2cr5 s THR 67 Ca 0.36 -1.20 -0.05 0.00 -1.18 0.00 0.00 61.69 59.62 2cr5 s THR 67 Cb 0.04 -3.21 -0.03 0.00 1.34 0.00 0.00 72.50 70.64 2cr5 s THR 67 CO 0.16 -0.12 0.81 -0.55 -0.54 0.00 0.00 174.62 174.38 2cr5 s SER 68 N -4.11 6.13 -0.36 3.99 0.15 -1.20 -3.65 113.70 114.64 2cr5 s SER 68 Ca 0.45 0.88 -0.34 0.00 0.70 0.00 0.00 55.95 57.65 2cr5 s SER 68 Cb -0.07 -2.14 -0.14 0.00 -1.71 0.00 0.00 66.02 61.96 2cr5 s SER 68 CO 0.29 -0.67 1.18 2.22 1.20 0.00 0.00 173.24 177.45 2cr5 n PHE 69 N -2.32 1.23 -2.17 3.44 1.16 -1.26 -3.35 117.46 114.18 2cr5 n PHE 69 Ca 0.01 0.80 -0.42 0.00 -1.87 0.00 0.00 57.45 55.97 2cr5 n PHE 69 Cb 0.56 -1.60 -0.03 0.00 -1.61 0.00 0.00 39.48 36.80 2cr5 n PHE 69 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 2cr5 s PRO 70 N 2.31 4.26 0.30 3.97 0.04 -1.26 -5.12 135.00 139.50 2cr5 s PRO 70 Ca 0.76 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 63.53 2cr5 s PRO 70 Cb -1.07 -3.64 -0.10 0.00 0.04 0.00 0.00 34.50 29.73 2cr5 s PRO 70 CO 0.58 -0.64 1.29 0.50 0.04 0.00 0.00 177.00 178.78 2cr5 s ARG 71 N 2.70 4.38 -0.26 4.56 3.52 -1.21 -4.82 118.95 127.82 2cr5 s ARG 71 Ca 0.66 2.16 -0.24 0.00 -0.13 0.00 0.00 55.73 58.18 2cr5 s ARG 71 Cb -0.32 -3.10 0.07 0.00 -1.56 0.00 0.00 34.95 30.04 2cr5 s ARG 71 CO 0.27 -0.17 0.70 0.50 -0.81 0.00 0.00 175.30 175.78 2cr5 s ARG 72 N -1.43 0.80 -0.39 5.12 3.52 -1.24 -4.97 118.95 120.37 2cr5 s ARG 72 Ca 0.50 0.99 -0.28 0.00 -0.13 0.00 0.00 55.73 56.81 2cr5 s ARG 72 Cb -0.39 0.38 -0.01 0.00 -1.56 0.00 0.00 34.95 33.37 2cr5 s ARG 72 CO 0.49 -0.10 1.65 0.00 -0.81 0.00 0.00 175.30 176.53 2cr5 s ALA 73 N 0.47 2.88 0.29 6.12 0.00 -1.26 -1.98 121.76 128.27 2cr5 s ALA 73 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 2cr5 s ALA 73 Cb -0.05 -4.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.01 2cr5 s ALA 73 CO -0.01 -2.65 0.54 -0.51 0.00 0.00 0.00 175.76 173.12 2cr5 s LEU 74 N 6.50 4.07 0.17 0.00 2.01 -1.00 -5.00 118.68 125.43 2cr5 s LEU 74 Ca 0.71 0.64 0.08 0.00 0.01 0.00 0.00 54.13 55.57 2cr5 s LEU 74 Cb -0.18 -3.46 -0.04 0.00 0.01 0.00 0.00 46.19 42.52 2cr5 s LEU 74 CO 0.32 -0.20 -0.05 -1.61 1.01 0.00 0.00 176.35 175.83 2cr5 s GLU 75 N -3.65 2.24 -1.02 1.70 2.02 -1.26 -4.50 118.70 114.23 2cr5 s GLU 75 Ca 0.43 -1.17 -0.11 0.00 0.02 0.00 0.00 54.97 54.14 2cr5 s GLU 75 Cb -0.11 -2.27 0.26 0.00 0.10 0.00 0.00 34.13 32.11 2cr5 s GLU 75 CO 0.31 0.45 1.00 0.08 0.02 0.00 0.00 175.26 177.12 2cr5 s VAL 76 N -1.68 5.87 -0.07 2.63 1.01 -1.26 -5.03 120.40 121.88 2cr5 s VAL 76 Ca 0.26 -3.13 -0.30 0.00 0.00 0.00 0.00 61.98 58.81 2cr5 s VAL 76 Cb -0.09 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.69 2cr5 s VAL 76 CO 0.17 -1.14 1.36 -0.70 0.00 0.00 0.00 175.10 174.79 2cr5 s GLU 77 N -0.82 4.27 0.34 2.72 2.56 -1.26 -4.82 118.70 121.68 2cr5 s GLU 77 Ca 0.27 1.85 0.13 0.00 0.00 0.00 0.00 54.97 57.22 2cr5 s GLU 77 Cb -0.10 -3.69 0.61 0.00 2.00 0.00 0.00 34.13 32.95 2cr5 s GLU 77 CO -0.08 -0.63 1.75 0.78 -0.56 0.00 0.00 175.26 176.51 2cr5 h GLY 78 N 9.01 0.00 0.00 -1.50 0.00 -1.99 -3.29 103.07 105.31 2cr5 h GLY 78 Ca -0.34 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 2cr5 h GLY 78 CO 0.93 0.00 -0.28 -1.33 0.00 0.00 0.00 176.54 175.86 2cr5 h GLY 79 N 1.49 0.00 -4.45 4.60 0.00 -2.02 -3.46 103.07 99.23 2cr5 h GLY 79 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.79 2cr5 h GLY 79 CO 0.06 0.00 0.60 -0.56 0.00 0.00 0.00 176.54 176.64 2cr5 s SER 80 N -6.34 7.01 0.94 0.19 0.01 -1.24 -5.03 113.70 109.24 2cr5 s SER 80 Ca -0.21 2.14 -0.15 0.00 1.31 0.00 0.00 55.95 59.04 2cr5 s SER 80 Cb -0.01 -2.59 0.17 0.00 0.21 0.00 0.00 66.02 63.81 2cr5 s SER 80 CO 0.65 -0.50 1.27 -0.44 0.41 0.00 0.00 173.24 174.63 2cr5 s SER 81 N 0.92 3.35 0.19 2.44 0.01 -1.26 -4.26 113.70 115.09 2cr5 s SER 81 Ca 0.59 0.44 -0.12 0.00 1.31 0.00 0.00 55.95 58.17 2cr5 s SER 81 Cb -0.32 -0.62 0.18 0.00 0.21 0.00 0.00 66.02 65.47 2cr5 s SER 81 CO 0.31 -2.60 1.75 -0.07 0.41 0.00 0.00 173.24 173.03 2cr5 h LEU 82 N -1.55 0.18 -1.33 2.44 3.38 -1.26 0.19 115.31 117.36 2cr5 h LEU 82 Ca -0.45 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 2cr5 h LEU 82 Cb 1.26 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 2cr5 h LEU 82 CO 0.45 0.13 -0.11 -0.08 0.09 0.00 0.00 178.44 178.93 2cr5 h GLU 83 N 0.36 0.00 0.13 1.13 4.81 -1.62 0.55 114.58 119.93 2cr5 h GLU 83 Ca 0.25 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.26 2cr5 h GLU 83 Cb 0.27 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.67 2cr5 h GLU 83 CO -0.25 0.11 -0.92 -0.44 -0.73 0.00 0.00 179.01 176.77 2cr5 h ASP 84 N 0.00 0.59 0.72 1.04 5.19 -1.28 -3.29 116.42 119.39 2cr5 h ASP 84 Ca -0.00 -0.89 -0.07 0.00 -0.62 0.00 0.00 57.03 55.44 2cr5 h ASP 84 Cb 0.61 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 2cr5 h ASP 84 CO 0.01 1.44 -0.34 0.16 -3.12 0.00 0.00 179.24 177.39 2cr5 h ILE 85 N -0.16 0.89 0.00 0.35 3.07 -0.62 -3.47 117.51 117.57 2cr5 h ILE 85 Ca -0.15 -1.36 0.00 0.00 1.55 0.00 0.00 64.86 64.90 2cr5 h ILE 85 Cb 1.69 1.82 0.00 0.00 -0.27 0.00 0.00 36.82 40.06 2cr5 h ILE 85 CO 0.18 0.33 0.00 0.61 -1.05 0.00 0.00 178.15 178.22 2cr5 n GLY 86 N 0.02 0.77 2.36 0.16 0.00 -0.85 -5.10 105.19 102.54 2cr5 n GLY 86 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.05 0.17 -0.61 2.08 0.19 -4.86 119.36 116.28 2cr5 n ILE 87 Ca 0.00 -4.16 0.03 0.00 0.56 0.00 0.00 62.75 59.18 2cr5 n ILE 87 Cb 0.00 -1.92 -0.03 0.00 -0.75 0.00 0.00 39.64 36.93 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 1.76 0.00 -4.22 1.39 -2.24 -1.26 -3.69 114.28 106.01 2cr5 n THR 88 Ca 0.25 -0.29 -0.17 0.00 -2.27 0.00 0.00 64.05 61.57 2cr5 n THR 88 Cb 0.48 0.79 -0.11 0.00 -2.10 0.00 0.00 70.33 69.39 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 -1.80 1.22 -0.53 2.28 -7.23 -1.26 -4.86 120.40 108.23 2cr5 s VAL 89 Ca 0.01 -1.71 -0.29 0.00 -1.81 0.00 0.00 61.98 58.17 2cr5 s VAL 89 Cb 0.04 -1.50 -0.15 0.00 0.56 0.00 0.00 36.38 35.33 2cr5 s VAL 89 CO 0.23 -0.47 1.78 -0.90 -0.31 0.00 0.00 175.10 175.43 2cr5 n ASP 90 N 0.51 0.43 -4.17 4.85 5.75 -1.26 -4.84 116.55 117.82 2cr5 n ASP 90 Ca -0.15 0.36 -0.24 0.00 -0.01 0.00 0.00 54.79 54.75 2cr5 n ASP 90 Cb 0.57 -0.68 -0.15 0.00 -1.03 0.00 0.00 41.12 39.83 2cr5 n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2cr5 s THR 91 N 5.41 1.33 -0.11 2.12 2.01 -1.23 -4.99 115.64 120.18 2cr5 s THR 91 Ca 0.95 -0.85 -0.04 0.00 0.31 0.00 0.00 61.69 62.06 2cr5 s THR 91 Cb -1.06 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 2cr5 s THR 91 CO 0.45 0.27 0.05 -0.69 -0.69 0.00 0.00 174.62 174.00 2cr5 s VAL 92 N -0.55 4.69 0.14 3.82 1.01 -1.26 -3.66 120.40 124.60 2cr5 s VAL 92 Ca 0.06 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.02 2cr5 s VAL 92 Cb -0.07 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 2cr5 s VAL 92 CO 0.00 0.58 -0.11 -0.76 0.00 0.00 0.00 175.10 174.81 2cr5 s LEU 93 N -0.68 2.94 -0.02 3.92 1.43 -0.32 -3.27 118.68 122.68 2cr5 s LEU 93 Ca 0.12 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 2cr5 s LEU 93 Cb -0.12 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 2cr5 s LEU 93 CO 0.02 0.14 -0.21 0.20 0.23 0.00 0.00 176.35 176.73 2cr5 s ASN 94 N -2.49 2.53 -0.51 2.29 0.01 -0.67 -1.23 114.94 114.87 2cr5 s ASN 94 Ca 0.22 -0.39 -0.15 0.00 -0.71 0.00 0.00 52.86 51.83 2cr5 s ASN 94 Cb -0.10 -0.36 0.11 0.00 0.41 0.00 0.00 41.25 41.31 2cr5 s ASN 94 CO 0.14 0.25 0.44 -0.69 -1.51 0.00 0.00 177.10 175.73 2cr5 s VAL 95 N -0.42 5.04 -0.05 1.60 1.01 0.13 -1.84 120.40 125.86 2cr5 s VAL 95 Ca 0.06 -1.41 0.06 0.00 0.00 0.00 0.00 61.98 60.69 2cr5 s VAL 95 Cb -0.09 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 2cr5 s VAL 95 CO -0.00 -0.75 -0.23 -1.83 0.00 0.00 0.00 175.10 172.28 2cr5 s GLU 96 N 1.57 2.40 0.44 2.72 -1.05 -1.17 -4.00 118.70 119.62 2cr5 s GLU 96 Ca 0.04 -0.85 -0.16 0.00 -0.15 0.00 0.00 54.97 53.85 2cr5 s GLU 96 Cb -0.28 -2.04 -0.13 0.00 -0.44 0.00 0.00 34.13 31.24 2cr5 s GLU 96 CO 0.04 0.35 -0.11 -1.91 0.95 0.00 0.00 175.26 174.58 2cr5 n GLU 97 N 2.99 0.00 -1.33 -4.83 2.13 -1.26 -1.34 120.64 116.99 2cr5 n GLU 97 Ca -0.18 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.36 2cr5 n GLU 97 Cb 0.52 -0.88 0.15 0.00 0.27 0.00 0.00 31.44 31.51 2cr5 n GLU 97 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2cr5 s LYS 98 N -0.89 0.85 -0.49 5.31 1.02 0.91 -4.52 119.74 121.94 2cr5 s LYS 98 Ca 0.50 0.46 0.03 0.00 0.02 0.00 0.00 55.97 56.98 2cr5 s LYS 98 Cb -0.43 -1.79 0.51 0.00 -0.52 0.00 0.00 37.83 35.60 2cr5 s LYS 98 CO 0.58 -2.43 1.76 0.39 -0.92 0.00 0.00 175.35 174.73 2cr5 n GLU 99 N -3.96 2.58 -2.02 1.68 1.02 -1.26 -4.93 120.64 113.76 2cr5 n GLU 99 Ca 0.06 -3.35 -0.26 0.00 -0.02 0.00 0.00 57.16 53.58 2cr5 n GLU 99 Cb 0.58 -2.18 -0.06 0.00 -0.02 0.00 0.00 31.44 29.76 2cr5 n GLU 99 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2cr5 s GLN 100 N -3.56 2.40 0.05 3.49 -1.52 -1.26 -4.79 119.66 114.46 2cr5 s GLN 100 Ca 0.57 -0.83 -0.28 0.00 -1.95 0.00 0.00 55.36 52.86 2cr5 s GLN 100 Cb 0.47 -5.16 0.10 0.00 -0.22 0.00 0.00 33.01 28.19 2cr5 s GLN 100 CO 0.03 -3.94 1.12 0.45 -0.25 0.00 0.00 175.29 172.70 2cr5 s SER 101 N 7.17 -0.13 -0.43 5.90 0.15 -1.26 -5.12 113.70 119.98 2cr5 s SER 101 Ca 0.70 -0.23 0.04 0.00 0.70 0.00 0.00 55.95 57.16 2cr5 s SER 101 Cb -0.03 0.31 0.12 0.00 -1.71 0.00 0.00 66.02 64.71 2cr5 s SER 101 CO 0.10 -0.57 0.17 -0.94 1.20 0.00 0.00 173.24 173.20 2cr5 s SER 102 N -2.89 4.43 0.27 5.45 1.04 -1.26 -5.10 113.70 115.64 2cr5 s SER 102 Ca 0.13 -2.59 -0.30 0.00 0.48 0.00 0.00 55.95 53.67 2cr5 s SER 102 Cb 0.02 -1.56 -0.10 0.00 0.10 0.00 0.00 66.02 64.48 2cr5 s SER 102 CO -0.02 -0.30 1.35 -1.58 0.98 0.00 0.00 173.24 173.68 2cr5 s GLN 103 N 0.30 4.33 -0.15 4.02 2.00 -1.26 -5.02 119.66 123.89 2cr5 s GLN 103 Ca 0.14 2.20 -0.02 0.00 -2.00 0.00 0.00 55.36 55.69 2cr5 s GLN 103 Cb -0.23 -3.12 0.05 0.00 0.80 0.00 0.00 33.01 30.51 2cr5 s GLN 103 CO -0.04 -0.28 0.00 0.45 -0.50 0.00 0.00 175.29 174.92 2cr5 s SER 104 N 0.02 2.51 0.00 6.67 0.15 -1.26 -4.78 113.70 117.01 2cr5 s SER 104 Ca 0.55 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.62 2cr5 s SER 104 Cb -0.40 -0.63 0.00 0.00 -1.71 0.00 0.00 66.02 63.29 2cr5 s SER 104 CO 0.46 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.26 2cr5 n GLY 105 N 5.03 2.11 0.00 9.45 0.00 -1.26 -4.84 105.19 115.69 2cr5 n GLY 105 Ca -0.09 -0.59 0.07 0.00 0.00 0.00 0.00 46.02 45.40 2cr5 n GLY 105 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cr5 n PRO 106 N 0.00 0.49 -1.96 1.61 -0.04 -1.26 -4.77 135.00 129.07 2cr5 n PRO 106 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 2cr5 n PRO 106 Cb 0.00 -1.43 -0.03 0.00 -0.04 0.00 0.00 33.50 32.01 2cr5 n PRO 106 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cr5 s SER 107 N -1.93 6.56 -0.29 3.54 0.01 -1.26 -4.95 113.70 115.38 2cr5 s SER 107 Ca 0.20 2.20 -0.16 0.00 1.31 0.00 0.00 55.95 59.50 2cr5 s SER 107 Cb 0.09 -2.53 0.15 0.00 0.21 0.00 0.00 66.02 63.94 2cr5 s SER 107 CO 0.15 -1.02 1.00 -0.44 0.41 0.00 0.00 173.24 173.34 2cr5 s SER 108 N 3.78 -0.48 0.00 2.44 0.01 -1.26 -5.11 113.70 113.07 2cr5 s SER 108 Ca 0.76 0.76 0.00 0.00 1.31 0.00 0.00 55.95 58.78 2cr5 s SER 108 Cb -0.33 1.25 0.00 0.00 0.21 0.00 0.00 66.02 67.14 2cr5 s SER 108 CO 0.31 -0.12 0.21 0.61 0.41 0.00 0.00 173.24 174.67